ATRASENTAN

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C29H38N2O6
Molecular Weight	510.6218
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ATRASENTAN

Structure Search

SMILES

CCCCN(CCCC)C(=O)CN1C[C@@H]([C@H]([C@@H]1C2=CC=C(OC)C=C2)C(O)=O)C3=CC=C4OCOC4=C3

InChI

InChIKey=MOTJMGVDPWRKOC-QPVYNBJUSA-N

InChI=1S/C29H38N2O6/c1-4-6-14-30(15-7-5-2)26(32)18-31-17-23(21-10-13-24-25(16-21)37-19-36-24)27(29(33)34)28(31)20-8-11-22(35-3)12-9-20/h8-13,16,23,27-28H,4-7,14-15,17-19H2,1-3H3,(H,33,34)/t23-,27-,28+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C29H38N2O6
Molecular Weight	510.6218
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:40:04 UTC 2023` Edited by `admin` on `Fri Dec 15 15:40:04 UTC 2023`
Record UNII	V6D7VK2215
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

ATRASENTAN

Official Name

English

atrasentan [INN]

Common Name

English

(2R,3R,4S)-1-((DIBUTYLCARBAMOYL)METHYL)-2-(P-METHOXYPHENYL)-4-(3,4-(METHYLENEDIOXY)PHENYL)-3-PYRROLIDINECARBOXYLIC ACID

Common Name

English

Atrasentan [WHO-DD]

Common Name

English

ATRASENTAN [MI]

Common Name

English

3-PYRROLIDINECARBOXYLIC ACID, 4-(1,3-BENZODIOXOL-5-YL)-1-(2-(DIBUTYLAMINO)-2-OXOETHYL)-2-(4-METHOXYPHENYL)-, (2R-(2.ALPHA.,3.BETA.,4.ALPHA.))

Common Name

English

ATRASENTAN [VANDF]

Common Name

English

Classification Tree Code System Code

FDA ORPHAN DRUG

537116

Created by admin on Fri Dec 15 15:40:04 UTC 2023 , Edited by admin on Fri Dec 15 15:40:04 UTC 2023

Code System Code Type Description

NCI_THESAURUS

C61606

Created by admin on Fri Dec 15 15:40:04 UTC 2023 , Edited by admin on Fri Dec 15 15:40:04 UTC 2023

PRIMARY

EVMPD

SUB20598

Created by admin on Fri Dec 15 15:40:04 UTC 2023 , Edited by admin on Fri Dec 15 15:40:04 UTC 2023

PRIMARY

EPA CompTox

DTXSID40870204

Created by admin on Fri Dec 15 15:40:04 UTC 2023 , Edited by admin on Fri Dec 15 15:40:04 UTC 2023

PRIMARY

FDA UNII

V6D7VK2215

Created by admin on Fri Dec 15 15:40:04 UTC 2023 , Edited by admin on Fri Dec 15 15:40:04 UTC 2023

PRIMARY

SMS_ID

100000085968

Created by admin on Fri Dec 15 15:40:04 UTC 2023 , Edited by admin on Fri Dec 15 15:40:04 UTC 2023

PRIMARY

MERCK INDEX

m2131

Created by admin on Fri Dec 15 15:40:04 UTC 2023 , Edited by admin on Fri Dec 15 15:40:04 UTC 2023

PRIMARY

Merck Index

INN

7970

Created by admin on Fri Dec 15 15:40:04 UTC 2023 , Edited by admin on Fri Dec 15 15:40:04 UTC 2023

PRIMARY

DRUG BANK

DB06199

Created by admin on Fri Dec 15 15:40:04 UTC 2023 , Edited by admin on Fri Dec 15 15:40:04 UTC 2023

PRIMARY

CAS

173937-91-2

Created by admin on Fri Dec 15 15:40:04 UTC 2023 , Edited by admin on Fri Dec 15 15:40:04 UTC 2023

PRIMARY

PUBCHEM

159594

Created by admin on Fri Dec 15 15:40:04 UTC 2023 , Edited by admin on Fri Dec 15 15:40:04 UTC 2023

PRIMARY

WIKIPEDIA

ATRASENTAN

Created by admin on Fri Dec 15 15:40:04 UTC 2023 , Edited by admin on Fri Dec 15 15:40:04 UTC 2023

PRIMARY

ChEMBL

CHEMBL9194

Created by admin on Fri Dec 15 15:40:04 UTC 2023 , Edited by admin on Fri Dec 15 15:40:04 UTC 2023

PRIMARY

MESH

C430623

Created by admin on Fri Dec 15 15:40:04 UTC 2023 , Edited by admin on Fri Dec 15 15:40:04 UTC 2023

PRIMARY

Related Record Type Details


					5Q6PN7AC39

ENDOTHELIN-1 RECEPTOR

TARGET -> INHIBITOR

Amount:


					22ES734693

MULTIDRUG RESISTANCE PROTEIN 1

TRANSPORTER -> SUBSTRATE

Amount:


					66DDF797LP

OATP-8

TRANSPORTER -> SUBSTRATE

Amount:


					22ES734693

MULTIDRUG RESISTANCE PROTEIN 1

TRANSPORTER -> INHIBITOR

Comments:

Moderately inhibited P-gp in P388/dx cells.

Qualification:

IC50

Amount:


					E4G31X93ZA

ATRASENTAN HYDROCHLORIDE

SALT/SOLVATE -> PARENT

Amount:

Related Record Type Details


					V6D7VK2215

ACTIVE MOIETY

Amount: