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Details

Stereochemistry ABSOLUTE
Molecular Formula C13H10FN3
Molecular Weight 227.237
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of OSILODROSTAT

SMILES

[H][C@@]1(CCC2=CN=CN12)C3=CC=C(C=C3F)C#N

InChI

InChIKey=USUZGMWDZDXMDG-CYBMUJFWSA-N
InChI=1S/C13H10FN3/c14-12-5-9(6-15)1-3-11(12)13-4-2-10-7-16-8-17(10)13/h1,3,5,7-8,13H,2,4H2/t13-/m1/s1

HIDE SMILES / InChI
Molecular Formula C13H10FN3
Molecular Weight 227.237
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Unknown
86413
Substance Class Chemical
Created
by admin
on Sat Dec 16 05:54:25 UTC 2023
Edited
by admin
on Sat Dec 16 05:54:25 UTC 2023
Record UNII
5YL4IQ1078
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
OSILODROSTAT
INN   USAN   WHO-DD  
USAN   INN  
Official Name English
Osilodrostat [WHO-DD]
Common Name English
LCI-699-NX
Code English
BENZONITRILE, 4-((5R)-6,7-DIHYDRO-5H-PYRROLO(1,2-C)IMIDAZOL-5-YL)-3-FLUORO-
Systematic Name English
OSILODROSTAT [USAN]
Common Name English
osilodrostat [INN]
Common Name English
LCI699
Common Name English
4-((5R)-6,7-DIHYDRO-5H-PYRROLO(1,2-C)IMIDAZOL-5-YL)-3-FLUORO-BENZONITRILE
Systematic Name English
(+)-OSILODROSTAT
Common Name English
OSILODROSTAT [MI]
Common Name English
LCI699-NX
Code English
LCI-699
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C471
Created by admin on Sat Dec 16 05:54:25 UTC 2023 , Edited by admin on Sat Dec 16 05:54:25 UTC 2023
EU-Orphan Drug EU/3/14/1345
Created by admin on Sat Dec 16 05:54:25 UTC 2023 , Edited by admin on Sat Dec 16 05:54:25 UTC 2023
FDA ORPHAN DRUG 405113
Created by admin on Sat Dec 16 05:54:25 UTC 2023 , Edited by admin on Sat Dec 16 05:54:25 UTC 2023
Code System Code Type Description
EPA CompTox
DTXSID40156570
Created by admin on Sat Dec 16 05:54:25 UTC 2023 , Edited by admin on Sat Dec 16 05:54:25 UTC 2023
PRIMARY
PUBCHEM
44139752
Created by admin on Sat Dec 16 05:54:25 UTC 2023 , Edited by admin on Sat Dec 16 05:54:25 UTC 2023
PRIMARY
DRUG BANK
DB11837
Created by admin on Sat Dec 16 05:54:25 UTC 2023 , Edited by admin on Sat Dec 16 05:54:25 UTC 2023
PRIMARY
INN
9818
Created by admin on Sat Dec 16 05:54:25 UTC 2023 , Edited by admin on Sat Dec 16 05:54:25 UTC 2023
PRIMARY
CAS
1304733-26-3
Created by admin on Sat Dec 16 05:54:25 UTC 2023 , Edited by admin on Sat Dec 16 05:54:25 UTC 2023
SUPERSEDED
USAN
CD-130
Created by admin on Sat Dec 16 05:54:25 UTC 2023 , Edited by admin on Sat Dec 16 05:54:25 UTC 2023
PRIMARY
NCI_THESAURUS
C131535
Created by admin on Sat Dec 16 05:54:25 UTC 2023 , Edited by admin on Sat Dec 16 05:54:25 UTC 2023
PRIMARY
RXCUI
2286252
Created by admin on Sat Dec 16 05:54:25 UTC 2023 , Edited by admin on Sat Dec 16 05:54:25 UTC 2023
PRIMARY
DRUG CENTRAL
5384
Created by admin on Sat Dec 16 05:54:25 UTC 2023 , Edited by admin on Sat Dec 16 05:54:25 UTC 2023
PRIMARY
MERCK INDEX
m12237
Created by admin on Sat Dec 16 05:54:25 UTC 2023 , Edited by admin on Sat Dec 16 05:54:25 UTC 2023
PRIMARY
DAILYMED
5YL4IQ1078
Created by admin on Sat Dec 16 05:54:25 UTC 2023 , Edited by admin on Sat Dec 16 05:54:25 UTC 2023
PRIMARY
CAS
928134-65-0
Created by admin on Sat Dec 16 05:54:25 UTC 2023 , Edited by admin on Sat Dec 16 05:54:25 UTC 2023
PRIMARY
FDA UNII
5YL4IQ1078
Created by admin on Sat Dec 16 05:54:25 UTC 2023 , Edited by admin on Sat Dec 16 05:54:25 UTC 2023
PRIMARY
WIKIPEDIA
Osilodrostat
Created by admin on Sat Dec 16 05:54:25 UTC 2023 , Edited by admin on Sat Dec 16 05:54:25 UTC 2023
PRIMARY
SMS_ID
100000176720
Created by admin on Sat Dec 16 05:54:25 UTC 2023 , Edited by admin on Sat Dec 16 05:54:25 UTC 2023
PRIMARY
Related Record Type Details
CYTOCHROME P450 3A4
METABOLIC ENZYME -> INHIBITOR
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CYTOCHROME P450 3A5
METABOLIC ENZYME -> INHIBITOR
WEAK INHIBITION
CYTOCHROME P450 3A4
METABOLIC ENZYME -> SUBSTRATE
URIDINE DIPHOSPHATE GLUCURONOSYLTRANSFERASE 2B7
METABOLIC ENZYME -> SUBSTRATE
CYTOCHROME P450 2C19
METABOLIC ENZYME -> INHIBITOR
TIME-DEPENDENT INHIBITION
Ki
URIDINE DIPHOSPHATE GLUCURONOSYLTRANSFERASE 1A4
METABOLIC ENZYME -> SUBSTRATE
CYTOCHROME P450 2D6
METABOLIC ENZYME -> SUBSTRATE
PLASMA PROTEIN FRACTION (HUMAN)
BINDER->LIGAND
BINDING
CYTOCHROME P450 2B6
METABOLIC ENZYME -> SUBSTRATE
CYTOCHROME P450 11B1
TARGET -> INHIBITOR
osilodrostat inhibited the activity of human CYP11B1 dose-dependently with IC50 values of 2.5 ± 0.1 nM (n = 4).
IC50
URIDINE DIPHOSPHATE GLUCURONOSYLTRANSFERASE 2B10
METABOLIC ENZYME -> SUBSTRATE
CYTOCHROME P450 1A2
METABOLIC ENZYME -> INHIBITOR
MODERATE INHIBITION
CYTOCHROME P450 2D6
METABOLIC ENZYME -> INHIBITOR
WEAK INHIBITION
Structure of OSILODROSTAT
EXCRETED UNCHANGED
AMOUNT EXCRETED
URINE
Structure of OSILODROSTAT PHOSPHATE
SALT/SOLVATE -> PARENT
Related Record Type Details
Structure of (2S,3S,4S,5R,6R)-6-((5R)-5-(4-CYANO-2-FLUORO-PHENYL)-6,7-DIHYDRO-5H-PYRROLO(1,2-C)IMIDAZOL-2-IUM-2-YL)-3,4,5-TRIHYDROXY-TETRAHYDROPYRAN-2-CARBOXYLIC ACID
METABOLITE -> PARENT
URINE
Structure of (5R)-5-(4-CYANO-2-FLUORO-PHENYL)-1-METHANIMIDOYL-PYRROLIDINE-2-CARBOXYLIC ACID
METABOLITE -> PARENT
URINE
Structure of 3-FLUORO-4-((5R)-7-HYDROXY-6,7-DIHYDRO-5H-PYRROLO(1,2-C)IMIDAZOL-5-YL)BENZONITRILE
METABOLITE -> PARENT
URINE
Structure of 3-FLUORO-4-((5R)-2-METHYL-6,7-DIHYDRO-5H-PYRROLO(1,2-C)IMIDAZOL-2-IUM-5-YL)BENZONITRILE
METABOLITE -> PARENT
URINE
Structure of 4-((4S)-1,3-DIOXO-4,5,6,6A-TETRAHYDRO-3AH-CYCLOPENTA(C)PYRROL-4-YL)-3-FLUORO-BENZONITRILE
METABOLITE -> PARENT
MAJOR
PLASMA
Structure of 4-((4S)-1,3-DIOXO-4,5,6,6A-TETRAHYDRO-3AH-CYCLOPENTA(C)PYRROL-4-YL)-3-FLUORO-BENZONITRILE
METABOLITE -> PARENT
URINE
Related Record Type Details
Structure of OSILODROSTAT
ACTIVE MOIETY
Name Property Type Amount Referenced Substance Defining Parameters References
Volume of Distribution PHARMACOKINETIC
Biological Half-life PHARMACOKINETIC
Tmax PHARMACOKINETIC
blood-to-plasma ratio PHARMACOKINETIC
NIH
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