atrasentan (CHEBI:135810)

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CHEBI:135810 - atrasentan

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ChEBI ID	CHEBI:135810
ChEBI Name	atrasentan
Stars
Definition	A member of the class of pyrrolidines that is pyrrolidine substituted by 2-(dibutylamino)-2-oxoethyl, 4-methoxyphenyl, carboxy, and 1,3-benzodioxol-5-yl groups at positions 1, 2, 3, and 4, respectively (the 2R,3R,4S-stereoisomer). It is an endothelin endothelin type A receptor antagonist used to reduce proteinuria in adults with primary immunoglobulin A nephropathy.
Last Modified	14 May 2025
Downloads	Molfile

Formula	C29H38N2O6
Net Charge	0
Average Mass	510.631
Monoisotopic Mass	510.27299
SMILES	[H][C@]1(c2ccc(OC)cc2)[C@H](C(=O)O)[C@@]([H])(c2ccc3c(c2)OCO3)CN1CC(=O)N(CCCC)CCCC
InChI	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
InChIKey	MOTJMGVDPWRKOC-QPVYNBJUSA-N

Wikipedia

Roles Classification

Chemical Roles:	Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:	endothelin A receptor antagonist A endothelin receptor antagonist is a drug which selectively blocks endothelin A receptors.
Applications:	endothelin A receptor antagonist A endothelin receptor antagonist is a drug which selectively blocks endothelin A receptors. nephroprotective agent Any protective agent that is able to prevent damage to the kidney.

ChEBI Ontology

Outgoing Relation(s)
	atrasentan (CHEBI:135810) has role endothelin A receptor antagonist (CHEBI:51452)
	atrasentan (CHEBI:135810) has role nephroprotective agent (CHEBI:76595)
	atrasentan (CHEBI:135810) is a benzodioxoles (CHEBI:38298)
	atrasentan (CHEBI:135810) is a monocarboxylic acid (CHEBI:25384)
	atrasentan (CHEBI:135810) is a monomethoxybenzene (CHEBI:25235)
	atrasentan (CHEBI:135810) is a pyrrolidinecarboxylic acid (CHEBI:46767)
	atrasentan (CHEBI:135810) is a pyrrolidines (CHEBI:38260)
	atrasentan (CHEBI:135810) is a tertiary amino compound (CHEBI:50996)
	atrasentan (CHEBI:135810) is a tertiary carboxamide (CHEBI:140326)

IUPAC Name
(2R,3R,4S)-4-(1,3-benzodioxol-5-yl)-1-[2-(dibutylamino)-2-oxoethyl]-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid

INNs	Source
atrasentan	WHO MedNet
atrasentán	WHO MedNet
atrasentanum	WHO MedNet
atrasentan	WHO MedNet

Synonyms	Source
(2R, 3R, 4S)-4-(1,3-benzodioxol-5-yl)-1-[2-(dibutylamino)-2-oxoethyl]-2-(4-methoxyphenyl)-3-pyrrolidinecarboxylic acid	ChEBI
ABT-627	DrugBank
ABT 627	DrugBank
ABT627	DrugBank
(2R,3R,4S)-4-(1,3-benzodioxol-5-yl)-1-[2-(dibutylamino)-2-oxoethyl]-2-(4-methoxyphenyl)-3-pyrrolidinecarboxylic acid	ChEBI
A-147627	ChEBI

Manual Xrefs	Databases
Atrasentan	Wikipedia
DB06199	DrugBank

Registry Numbers	Sources
CAS:173937-91-2	ChEBI

Citations