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Details

Stereochemistry ABSOLUTE
Molecular Formula C40H53N7O5S2
Molecular Weight 776.023
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of COBICISTAT

SMILES

CC(C)C1=NC(CN(C)C(=O)N[C@@H](CCN2CCOCC2)C(=O)N[C@H](CC[C@H](CC3=CC=CC=C3)NC(=O)OCC4=CN=CS4)CC5=CC=CC=C5)=CS1

InChI

InChIKey=ZCIGNRJZKPOIKD-CQXVEOKZSA-N
InChI=1S/C40H53N7O5S2/c1-29(2)38-43-34(27-53-38)25-46(3)39(49)45-36(16-17-47-18-20-51-21-19-47)37(48)42-32(22-30-10-6-4-7-11-30)14-15-33(23-31-12-8-5-9-13-31)44-40(50)52-26-35-24-41-28-54-35/h4-13,24,27-29,32-33,36H,14-23,25-26H2,1-3H3,(H,42,48)(H,44,50)(H,45,49)/t32-,33-,36+/m1/s1

HIDE SMILES / InChI
Molecular Formula C40H53N7O5S2
Molecular Weight 776.023
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Unknown
86413
Substance Class Chemical
Created
by admin
on Sat Dec 16 16:02:00 UTC 2023
Edited
by admin
on Sat Dec 16 16:02:00 UTC 2023
Record UNII
LW2E03M5PG
Record Status Validated (UNII)
Record Version
  • Download
Related Record Type
Name Type Language
COBICISTAT
DASH   INN   MI   ORANGE BOOK   USAN   VANDF   WHO-DD  
INN   USAN  
Official Name English
COBICISTAT [JAN]
Common Name English
COBICISTAT COMPONENT OF SYMTUZA
Brand Name English
STRIBILD COMPONENT COBICISTAT
Brand Name English
(1,3-THIAZOL-5-YL)METHYL (5S,8R,11R)-8,11-DIBENZYL-2-METHYL-5-(2-(MORPHOLIN-4-YL)ETHYL)-1-(2-(PROPAN-2-YL)-1,3-THIAZOL-4-YL)-3,6-DIOXO-2,4,7,12-TETRAAZATRIDECAN-13-OATE
Common Name English
COBICISTAT COMPONENT OF GENVOYA
Brand Name English
REZOLSTA COMPONENT COBICISTAT
Brand Name English
2,7,10,12-TETRAAZATRIDECANOIC ACID, 12-METHYL-13-(2-(1-METHYLETHYL)-4-THIAZOLYL)-9-(2-(4-MORPHOLINYL)ETHYL)-8,11-DIOXO-3,6-BIS(PHENYLMETHYL)-, 5-THIAZOLYLMETHYL ESTER, (3R,6R,9S)-
Common Name English
COBICISTAT, (R,R,S)-
Common Name English
COBICISTAT COMPONENT OF PREZCOBIX
Brand Name English
SYMTUZA COMPONENT COBICISTAT
Brand Name English
COBICISTAT [ORANGE BOOK]
Common Name English
GENVOYA COMPONENT COBICISTAT
Brand Name English
Cobicistat [WHO-DD]
Common Name English
COBICISTAT [VANDF]
Common Name English
COBICISTAT [MI]
Common Name English
COBICISTAT [USAN]
Common Name English
EVOTAZ COMPONENT COBICISTAT
Brand Name English
COBICISTAT COMPONENT OF STRIBILD
Brand Name English
GS-9350
Code English
PREZCOBIX COMPONENT COBICISTAT
Brand Name English
1,3-THIAZOL-5-YLMETHYL ((2R,5R)-5-(((2S)-2-((METHYL((2-(PROPAN-2-YL)-1,3-THIAZOL-4-YL)METHYL)CARBAMOYL)AMINO)-4-(MORPHOLIN-4-YL)BUTANOYL)AMINO)-1,6-DIPHENYLHEXAN-2-YL)CARBAMATE
Common Name English
cobicistat [INN]
Common Name English
COBICISTAT COMPONENT OF EVOTAZ
Brand Name English
Classification Tree Code System Code
WHO-ATC J05AR09
Created by admin on Sat Dec 16 16:02:02 UTC 2023 , Edited by admin on Sat Dec 16 16:02:02 UTC 2023
FDA ORPHAN DRUG 577917
Created by admin on Sat Dec 16 16:02:02 UTC 2023 , Edited by admin on Sat Dec 16 16:02:02 UTC 2023
WHO-ATC J05AR15
Created by admin on Sat Dec 16 16:02:02 UTC 2023 , Edited by admin on Sat Dec 16 16:02:02 UTC 2023
WHO-ATC V03AX03
Created by admin on Sat Dec 16 16:02:02 UTC 2023 , Edited by admin on Sat Dec 16 16:02:02 UTC 2023
NDF-RT N0000191001
Created by admin on Sat Dec 16 16:02:02 UTC 2023 , Edited by admin on Sat Dec 16 16:02:02 UTC 2023
EMA ASSESSMENT REPORTS GENVOYA (AUTHORIZED: HIV INFECTIONS)
Created by admin on Sat Dec 16 16:02:02 UTC 2023 , Edited by admin on Sat Dec 16 16:02:02 UTC 2023
LIVERTOX NBK547911
Created by admin on Sat Dec 16 16:02:02 UTC 2023 , Edited by admin on Sat Dec 16 16:02:02 UTC 2023
NCI_THESAURUS C471
Created by admin on Sat Dec 16 16:02:02 UTC 2023 , Edited by admin on Sat Dec 16 16:02:02 UTC 2023
WHO-VATC QV03AX03
Created by admin on Sat Dec 16 16:02:02 UTC 2023 , Edited by admin on Sat Dec 16 16:02:02 UTC 2023
WHO-ATC J05AR18
Created by admin on Sat Dec 16 16:02:02 UTC 2023 , Edited by admin on Sat Dec 16 16:02:02 UTC 2023
EMA ASSESSMENT REPORTS EVOTAZ (AUTHORIZED: HIV INFECTIONS)
Created by admin on Sat Dec 16 16:02:02 UTC 2023 , Edited by admin on Sat Dec 16 16:02:02 UTC 2023
WHO-ATC J05AR14
Created by admin on Sat Dec 16 16:02:02 UTC 2023 , Edited by admin on Sat Dec 16 16:02:02 UTC 2023
EMA ASSESSMENT REPORTS STRIBILD (AUTHORIZED: HIV INFECTIONS)
Created by admin on Sat Dec 16 16:02:02 UTC 2023 , Edited by admin on Sat Dec 16 16:02:02 UTC 2023
EMA ASSESSMENT REPORTS REZOLSTA (AUTHORIZED: HIV INFECTIONS)
Created by admin on Sat Dec 16 16:02:02 UTC 2023 , Edited by admin on Sat Dec 16 16:02:02 UTC 2023
WHO-VATC QJ05AR09
Created by admin on Sat Dec 16 16:02:02 UTC 2023 , Edited by admin on Sat Dec 16 16:02:02 UTC 2023
Code System Code Type Description
DRUG BANK
DB09065
Created by admin on Sat Dec 16 16:02:02 UTC 2023 , Edited by admin on Sat Dec 16 16:02:02 UTC 2023
PRIMARY
NDF-RT
N0000190107
Created by admin on Sat Dec 16 16:02:02 UTC 2023 , Edited by admin on Sat Dec 16 16:02:02 UTC 2023
PRIMARY Organic Anion Transporting Polypeptide 1B1 Inhibitors [MoA]
RXCUI
1306284
Created by admin on Sat Dec 16 16:02:02 UTC 2023 , Edited by admin on Sat Dec 16 16:02:02 UTC 2023
PRIMARY RxNorm
ChEMBL
CHEMBL2095208
Created by admin on Sat Dec 16 16:02:02 UTC 2023 , Edited by admin on Sat Dec 16 16:02:02 UTC 2023
PRIMARY
DAILYMED
LW2E03M5PG
Created by admin on Sat Dec 16 16:02:02 UTC 2023 , Edited by admin on Sat Dec 16 16:02:02 UTC 2023
PRIMARY
NCI_THESAURUS
C97360
Created by admin on Sat Dec 16 16:02:02 UTC 2023 , Edited by admin on Sat Dec 16 16:02:02 UTC 2023
PRIMARY
EPA CompTox
DTXSID00143269
Created by admin on Sat Dec 16 16:02:02 UTC 2023 , Edited by admin on Sat Dec 16 16:02:02 UTC 2023
PRIMARY
NDF-RT
N0000182137
Created by admin on Sat Dec 16 16:02:02 UTC 2023 , Edited by admin on Sat Dec 16 16:02:02 UTC 2023
PRIMARY Cytochrome P450 2D6 Inhibitors [MoA]
NDF-RT
N0000185503
Created by admin on Sat Dec 16 16:02:02 UTC 2023 , Edited by admin on Sat Dec 16 16:02:02 UTC 2023
PRIMARY P-Glycoprotein Inhibitors [MoA]
NDF-RT
N0000190113
Created by admin on Sat Dec 16 16:02:02 UTC 2023 , Edited by admin on Sat Dec 16 16:02:02 UTC 2023
PRIMARY Breast Cancer Resistance Protein Inhibitors [MoA]
SMS_ID
100000127699
Created by admin on Sat Dec 16 16:02:02 UTC 2023 , Edited by admin on Sat Dec 16 16:02:02 UTC 2023
PRIMARY
PUBCHEM
25151504
Created by admin on Sat Dec 16 16:02:02 UTC 2023 , Edited by admin on Sat Dec 16 16:02:02 UTC 2023
PRIMARY
MERCK INDEX
m3706
Created by admin on Sat Dec 16 16:02:02 UTC 2023 , Edited by admin on Sat Dec 16 16:02:02 UTC 2023
PRIMARY Merck Index
INN
9266
Created by admin on Sat Dec 16 16:02:02 UTC 2023 , Edited by admin on Sat Dec 16 16:02:02 UTC 2023
PRIMARY
WIKIPEDIA
COBICISTAT
Created by admin on Sat Dec 16 16:02:02 UTC 2023 , Edited by admin on Sat Dec 16 16:02:02 UTC 2023
PRIMARY
CHEBI
72291
Created by admin on Sat Dec 16 16:02:02 UTC 2023 , Edited by admin on Sat Dec 16 16:02:02 UTC 2023
PRIMARY
FDA UNII
LW2E03M5PG
Created by admin on Sat Dec 16 16:02:02 UTC 2023 , Edited by admin on Sat Dec 16 16:02:02 UTC 2023
PRIMARY
NDF-RT
N0000190114
Created by admin on Sat Dec 16 16:02:02 UTC 2023 , Edited by admin on Sat Dec 16 16:02:02 UTC 2023
PRIMARY Cytochrome P450 3A Inhibitors [MoA]
NDF-RT
N0000190108
Created by admin on Sat Dec 16 16:02:02 UTC 2023 , Edited by admin on Sat Dec 16 16:02:02 UTC 2023
PRIMARY Organic Anion Transporting Polypeptide 1B3 Inhibitors [MoA]
CAS
1004316-88-4
Created by admin on Sat Dec 16 16:02:02 UTC 2023 , Edited by admin on Sat Dec 16 16:02:02 UTC 2023
PRIMARY
EVMPD
SUB33760
Created by admin on Sat Dec 16 16:02:02 UTC 2023 , Edited by admin on Sat Dec 16 16:02:02 UTC 2023
PRIMARY
IUPHAR
7535
Created by admin on Sat Dec 16 16:02:02 UTC 2023 , Edited by admin on Sat Dec 16 16:02:02 UTC 2023
PRIMARY
DRUG CENTRAL
4299
Created by admin on Sat Dec 16 16:02:02 UTC 2023 , Edited by admin on Sat Dec 16 16:02:02 UTC 2023
PRIMARY
USAN
WW-13
Created by admin on Sat Dec 16 16:02:02 UTC 2023 , Edited by admin on Sat Dec 16 16:02:02 UTC 2023
PRIMARY
Related Record Type Details
MULTIDRUG AND TOXIN EXTRUSION PROTEIN 1
TRANSPORTER -> INHIBITOR
IC50
CYTOCHROME P450 1A2
METABOLIC ENZYME -> NON-INHIBITOR
IC50
OAT-2
TRANSPORTER -> NON-INHIBITOR
IC50
CYTOCHROME P450 3A4
METABOLIC ENZYME -> INHIBITOR
TIME-DEPENDENT INHIBITION
IC50
CYTOCHROME P450 2B6
METABOLIC ENZYME -> INHIBITOR
INHIBITOR
IC50
PLASMA PROTEIN FRACTION (HUMAN)
BINDER->LIGAND
BINDING
OCT-2
TRANSPORTER -> INHIBITOR
IC50
OCT-3
TRANSPORTER -> NON-INHIBITOR
IC50
MATE-2
TRANSPORTER -> INHIBITOR
IC50
CYTOCHROME P450 2D6
METABOLIC ENZYME -> INHIBITOR
IC50
COBICISTAT ON SILICON DIOXIDE
SUB_CONCEPT->SUBSTANCE
MULTIDRUG AND TOXIN EXTRUSION PROTEIN 1
TRANSPORTER -> INHIBITOR
INHIBITOR
IC50
CYTOCHROME P450 3A4
METABOLIC ENZYME -> INHIBITOR
TIME-DEPENDENT INHIBITION
k(inactivation)
CYTOCHROME P450 2C9
METABOLIC ENZYME -> NON-INHIBITOR
IC50
CYTOCHROME P450 3A4
METABOLIC ENZYME -> INHIBITOR
TIME-DEPENDENT INHIBITION
IC50
CYTOCHROME P450 2C19
METABOLIC ENZYME -> NON-INHIBITOR
IC50
CYTOCHROME P450 2C8
METABOLIC ENZYME -> NON-INHIBITOR
INHIBITOR
IC50
Related Record Type Details
Structure of BIS(THIAZOL-5-YLMETHYL)CARBONATE
IMPURITY -> PARENT
Structure of HYDROXY COBICISTAT
IMPURITY -> PARENT
Structure of 5-THIAZOLYLMETHYL N-((1R,4R)-4-(((2S)-2-AMINO-4-(4-MORPHOLINYL)-1-OXOBUTYL)AMINO)-5-PHENYL-1-(PHENYLMETHYL)PENTYL)CARBAMATE
IMPURITY -> PARENT
Structure of C,C′-Bis(5-thiazolylmethyl) N,N′-[(1R,4R)-1,4-bis(phenylmethyl)-1,4-butanediyl]bis[carbamate]
IMPURITY -> PARENT
Structure of 5-THIAZOLYLMETHYL N-((1R,4R)-4-AMINO-5-PHENYL-1-(PHENYLMETHYL)PENTYL)CARBAMATE
IMPURITY -> PARENT
Structure of N-METHYL-N-((2-(1-METHYLETHYL)-4-THIAZOLYL)METHYL)-N'-((3S)-TETRAHYDRO-2-OXO-3-FURANYL)UREA
IMPURITY -> PARENT
Structure of (2S)-2-((METHYL(((2-(PROPAN-2-YL)-1,3-THIAZOL-4-YL)METHYL))CARBAMOYL)AMINO)-4-(MORPHOLIN-4-YL)BUTANOIC ACID
IMPURITY -> PARENT
Related Record Type Details
Structure of COBICISTAT
ACTIVE MOIETY
Name Property Type Amount Referenced Substance Defining Parameters References
Biological Half-life PHARMACOKINETIC
NIH
NCATS
PRIVACY ACT
ACCESSIBILITY
DISCLAIMER
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