Drug Information

Drug General Information
Drug ID
D0Y6UU
Former ID
DCL000296
Drug Name
Atrasentan
Synonyms
Xinlay; Atrasentan [INN]; A 127722; A 147627; ABT 627; A-127722; A-147627; ABT-627; Xinlay (TN); A-127722.5; (+)-A 127722; (+)-A-127722; (11C)ABT-627; (2R,3R,4S)-4-(1,3-benzodioxol-5-yl)-1-[2-(dibutylamino)-2-oxoethyl]-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid; 2-(4-methoxyphenyl)-4-(1,3-benzodioxol-5-yl)-1-(((dibutylamino)carbonyl)methyl)pyrrolidine-3-carboxylic acid; 2R-(4-methoxyphenyl)-4S(1,3-benzodioxol-5-yl)-1-(N,N-di(n-butyl)aminocarbonyl-methyl)-pyrrolidine-3R-carboxylic acid
Drug Type
Small molecular drug
Indication Hormone refractory prostate cancer [ICD9: 140-229, 185; ICD10:C61] Withdrawn from market [536957], [540426]
Company
Abbott
Structure
Download
2D MOL

3D MOL
Formula
C29H38N2O6
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
CAS Number
CAS 195733-43-8
PubChem Compound ID
159594
PubChem Substance ID
535748, 10253652, 12014999, 14811316, 14909273, 46234806, 50068170, 50253083, 53788137, 53789849, 57348721, 103168476, 103948098, 113442732, 127346318, 128626310, 134338952, 134339653, 135115498, 135325628, 137006712, 141972835, 163620866, 163686195, 178100477, 179150068, 185974011, 198977266, 224005477, 226421083
Target and Pathway
Target(s) Endothelin-1 receptor Target Info Antagonist [535545]
KEGG Pathway Calcium signaling pathway
cGMP-PKG signaling pathway
cAMP signaling pathway
Neuroactive ligand-receptor interaction
Vascular smooth muscle contraction
Renin secretion
Pathways in cancer
NetPath Pathway IL4 Signaling Pathway
PANTHER Pathway Endothelin signaling pathway
Pathway Interaction Database Endothelins
EGFR-dependent Endothelin signaling events
Reactome Peptide ligand-binding receptors
G alpha (q) signalling events
WikiPathways Prostaglandin Synthesis and Regulation
GPCRs, Class A Rhodopsin-like
Gastrin-CREB signalling pathway via PKC and MAPK
Peptide GPCRs
Endothelin Pathways
GPCR ligand binding
GPCR downstream signaling
GPCRs, Other
References
Ref 536957Current and future treatments of bone metastases. Expert Opin Emerg Drugs. 2008 Dec;13(4):609-27.
Ref 540426(http://www.guidetopharmacology.org/) Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 3487).
Ref 535545Effects of a selective ET(A)-receptor antagonist, atrasentan (ABT-627), in murine models of allergic asthma: demonstration of mouse strain specificity. Clin Sci (Lond). 2002 Aug;103 Suppl 48:367S-370S.

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