Drug Information
| General Information | ||||||
|---|---|---|---|---|---|---|
| Drug ID |
DR01433
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| Drug Name |
Atrasentan
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| 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
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| Drug Type |
Small molecular drug
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| Indication | Endothelial dysfunction [ICD11:BE2Z] | Phase 3 | [1] | |||
| Structure |
|
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| 3D MOL | 2D MOL | |||||
| Formula |
C29H38N2O6
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| Canonical SMILES |
CCCCN(CCCC)C(=O)CN1CC(C(C1C2=CC=C(C=C2)OC)C(=O)O)C3=CC4=C(C=C3)OCO4
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| 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
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| InChIKey |
MOTJMGVDPWRKOC-QPVYNBJUSA-N
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| CAS Number |
CAS 195733-43-8
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| Pharmaceutical Properties | Molecular Weight | 510.6 | Topological Polar Surface Area | 88.5 | ||
| Heavy Atom Count | 37 | Rotatable Bond Count | 12 | |||
| Hydrogen Bond Donor Count | 1 | Hydrogen Bond Acceptor Count | 7 | |||
| XLogP |
2.4
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| PubChem CID | ||||||
| PubChem SID |
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
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| ChEBI ID |
CHEBI:135810
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| TTD Drug ID | ||||||
| DT(s) Transporting This Drug | OATP1A2 | Transporter Info | Organic anion transporting polypeptide 1A2 | Substrate | [2] | |
| OATP1B1 | Transporter Info | Organic anion transporting polypeptide 1B1 | Substrate | [3] | ||
| OATP1B3 | Transporter Info | Organic anion transporting polypeptide 1B3 | Substrate | [2] | ||
| References | ||||||
| 1 | ClinicalTrials.gov (NCT00271492) Correlation of Endothelial Function and Early Coronary Artery Disease in Humans | |||||
| 2 | Organic anion transporting polypeptide 1B1 activity classified by SLCO1B1 genotype influences atrasentan pharmacokinetics. Clin Pharmacol Ther. 2006 Mar;79(3):186-96. | |||||
| 3 | Organic anion transporting polypeptide 1B1: a genetically polymorphic transporter of major importance for hepatic drug uptake. Pharmacol Rev. 2011 Mar;63(1):157-81. | |||||
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