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Details

Stereochemistry ACHIRAL
Molecular Formula C29H34Cl2N6O3S2
Molecular Weight 649.655
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of AVATROMBOPAG

SMILES

OC(=O)C1CCN(CC1)C2=NC=C(C=C2Cl)C(=O)NC3=NC(C4=CC(Cl)=CS4)=C(S3)N5CCN(CC5)C6CCCCC6

InChI

InChIKey=OFZJKCQENFPZBH-UHFFFAOYSA-N
InChI=1S/C29H34Cl2N6O3S2/c30-20-15-23(41-17-20)24-27(37-12-10-35(11-13-37)21-4-2-1-3-5-21)42-29(33-24)34-26(38)19-14-22(31)25(32-16-19)36-8-6-18(7-9-36)28(39)40/h14-18,21H,1-13H2,(H,39,40)(H,33,34,38)

HIDE SMILES / InChI
Molecular Formula C29H34Cl2N6O3S2
Molecular Weight 649.655
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Unknown
86413
Substance Class Chemical
Created
by admin
on Fri Dec 15 16:35:11 UTC 2023
Edited
by admin
on Fri Dec 15 16:35:11 UTC 2023
Record UNII
3H8GSZ4SQL
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
AVATROMBOPAG
INN   USAN   WHO-DD  
INN   USAN  
Official Name English
YM-301477
Code English
avatrombopag [INN]
Common Name English
AKR-501
Common Name English
YM-477
Code English
AVATROMBOPAG [USAN]
Common Name English
Avatrombopag [WHO-DD]
Common Name English
E5501
Code English
E-5501
Code English
AVATROMBOPAG [MI]
Common Name English
1-(3-Chloro-5-{[4-(4-chlorothiophen-2-yl)-5-(4-cyclohexylpiperazin-1-yl)thiazol-2-yl]carbamoyl}pyridin-2-yl)piperidine-4-carboxylic acid
Systematic Name English
1-(3-CHLORO-5-((4-(4-CHLOROTHIOPHEN-2-YL)-5-(4-CYCLOHEXYLPIPERAZIN-1-YL)THIAZOL-2-YL)CARBAMOYL)-2-PYRIDYL)PIPERIDINE-4-CARBOXYLIC ACID
Systematic Name English
Classification Tree Code System Code
WHO-ATC B02BX08
Created by admin on Fri Dec 15 16:35:11 UTC 2023 , Edited by admin on Fri Dec 15 16:35:11 UTC 2023
NCI_THESAURUS C78275
Created by admin on Fri Dec 15 16:35:11 UTC 2023 , Edited by admin on Fri Dec 15 16:35:11 UTC 2023
Code System Code Type Description
MERCK INDEX
m12070
Created by admin on Fri Dec 15 16:35:11 UTC 2023 , Edited by admin on Fri Dec 15 16:35:11 UTC 2023
PRIMARY
DRUG CENTRAL
5285
Created by admin on Fri Dec 15 16:35:11 UTC 2023 , Edited by admin on Fri Dec 15 16:35:11 UTC 2023
PRIMARY
PUBCHEM
9852519
Created by admin on Fri Dec 15 16:35:11 UTC 2023 , Edited by admin on Fri Dec 15 16:35:11 UTC 2023
PRIMARY
INN
9571
Created by admin on Fri Dec 15 16:35:11 UTC 2023 , Edited by admin on Fri Dec 15 16:35:11 UTC 2023
PRIMARY
CAS
570406-98-3
Created by admin on Fri Dec 15 16:35:11 UTC 2023 , Edited by admin on Fri Dec 15 16:35:11 UTC 2023
PRIMARY
EVMPD
SUB121659
Created by admin on Fri Dec 15 16:35:11 UTC 2023 , Edited by admin on Fri Dec 15 16:35:11 UTC 2023
PRIMARY
NCI_THESAURUS
C150559
Created by admin on Fri Dec 15 16:35:11 UTC 2023 , Edited by admin on Fri Dec 15 16:35:11 UTC 2023
PRIMARY
DAILYMED
3H8GSZ4SQL
Created by admin on Fri Dec 15 16:35:11 UTC 2023 , Edited by admin on Fri Dec 15 16:35:11 UTC 2023
PRIMARY
EPA CompTox
DTXSID30205667
Created by admin on Fri Dec 15 16:35:11 UTC 2023 , Edited by admin on Fri Dec 15 16:35:11 UTC 2023
PRIMARY
WIKIPEDIA
Avatrombopag
Created by admin on Fri Dec 15 16:35:11 UTC 2023 , Edited by admin on Fri Dec 15 16:35:11 UTC 2023
PRIMARY
RXCUI
2045726
Created by admin on Fri Dec 15 16:35:11 UTC 2023 , Edited by admin on Fri Dec 15 16:35:11 UTC 2023
PRIMARY
FDA UNII
3H8GSZ4SQL
Created by admin on Fri Dec 15 16:35:11 UTC 2023 , Edited by admin on Fri Dec 15 16:35:11 UTC 2023
PRIMARY
ChEMBL
CHEMBL2103883
Created by admin on Fri Dec 15 16:35:11 UTC 2023 , Edited by admin on Fri Dec 15 16:35:11 UTC 2023
PRIMARY
USAN
YY-98
Created by admin on Fri Dec 15 16:35:11 UTC 2023 , Edited by admin on Fri Dec 15 16:35:11 UTC 2023
PRIMARY
SMS_ID
100000144842
Created by admin on Fri Dec 15 16:35:11 UTC 2023 , Edited by admin on Fri Dec 15 16:35:11 UTC 2023
PRIMARY
DRUG BANK
DB11995
Created by admin on Fri Dec 15 16:35:11 UTC 2023 , Edited by admin on Fri Dec 15 16:35:11 UTC 2023
PRIMARY
Related Record Type Details
ATP-BINDING CASSETTE SUB-FAMILY G MEMBER 2
TRANSPORTER -> INHIBITOR
IC50
Structure of AVATROMBOPAG
EXCRETED UNCHANGED
FECAL
CYTOCHROME P450 2C9
METABOLIC ENZYME -> INDUCER
WEAK
CYTOCHROME P450 2C9
METABOLIC ENZYME -> SUBSTRATE
THROMBOPOIETIN RECEPTOR
TARGET -> AGONIST
CYTOCHROME P450 2C8
METABOLIC ENZYME -> INDUCER
In vitro data suggests that avatrombopag weakly induces CYP2C8 and CYP2C9
WEAK
MULTIDRUG RESISTANCE PROTEIN 1
TRANSPORTER -> SUBSTRATE
CYTOCHROME P450 3A4
METABOLIC ENZYME -> SUBSTRATE
PLASMA PROTEIN FRACTION (HUMAN)
BINDER->LIGAND
BINDING
OAT-3
TRANSPORTER -> INHIBITOR
IC50
Structure of AVATROMBOPAG MALEATE
SALT/SOLVATE -> PARENT
Related Record Type Details
Structure of 1-(5-((4-(4-CHLORO-2-THIENYL)-5-(4-CYCLOHEXYLPIPERAZIN-1-YL)THIAZOL-2-YL)CARBAMOYL)-3-HYDROXY-2-PYRIDYL)PIPERIDINE-4-CARBOXYLIC ACID
METABOLITE -> PARENT
Avatrombopag's metabolites were detected in feces. There were no metabolites detected in plasma.
Structure of 5-CHLORO-N-(4-(4-CHLORO-2-THIENYL)-5-(4-CYCLOHEXYL-1-PIPERAZINYL)-2-THIAZOLYL)-6-(4-HYDROXY-1-PIPERIDINYL)-3-PYRIDINECARBOXAMIDE
METABOLITE -> PARENT
Avatrombopag's metabolites were detected in feces. There were no metabolites detected in plasma.
MAJOR
Related Record Type Details
Structure of AVATROMBOPAG
ACTIVE MOIETY
Name Property Type Amount Referenced Substance Defining Parameters References
Biological Half-life PHARMACOKINETIC
Volume of Distribution PHARMACOKINETIC
Tmax PHARMACOKINETIC
Blood-to-Plasma Ratio PHARMACOKINETIC
NIH
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