Drug Information
| General Information | ||||||
|---|---|---|---|---|---|---|
| Drug ID |
DR00221
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| Drug Name |
Olaparib
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| Synonyms |
4-[(3-{[4-Cyclopropylcarbonyl)piperazin-4-yl]carbonyl}-4-fluorophenyl)methyl]phtalazin-1(2H)-one; 4-[3-(4-Cyclopropanecarbonyl-piperazine-1-carbonyl)-4-fluoro-benzyl]-2H-phthalazin-1-one; AZD 2281; AZD-2281; AZD2281; Acylpiperazine analogue, 47; KU-0059436; KU-59436; Olaparib, KU-0059436, AZD2281,KU0059436, AZD2281
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| Drug Type |
Small molecular drug
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| Indication | Breast cancer [ICD11:2C60-2C6Z] | Approved | [1] | |||
| Ovarian cancer [ICD11:2C73] | Approved | [1] | ||||
| Structure |
|
 |
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| 3D MOL | 2D MOL | |||||
| Formula |
C24H23FN4O3
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| Canonical SMILES |
C1CC1C(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54)F
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| InChI |
InChI=1S/C24H23FN4O3/c25-20-8-5-15(14-21-17-3-1-2-4-18(17)22(30)27-26-21)13-19(20)24(32)29-11-9-28(10-12-29)23(31)16-6-7-16/h1-5,8,13,16H,6-7,9-12,14H2,(H,27,30)
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| InChIKey |
FDLYAMZZIXQODN-UHFFFAOYSA-N
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| CAS Number |
CAS 763113-22-0
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| Pharmaceutical Properties | Molecular Weight | 434.5 | Topological Polar Surface Area | 82.1 | ||
| Heavy Atom Count | 32 | Rotatable Bond Count | 4 | |||
| Hydrogen Bond Donor Count | 1 | Hydrogen Bond Acceptor Count | 5 | |||
| XLogP |
1.9
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| PubChem CID | ||||||
| PubChem SID |
103605183
,109692964
,117670453
,118049496
,121277945
,123051082
,124490470
,124756970
,124947876
,125163775
,125312522
,125415525
,126582065
,126626885
,126644879
,126664211
,126666996
,126738835
,131407195
,131465127
,134213960
,134222742
,134338825
,134339140
,134346179
,134964396
,135261055
,135697767
,135708109
,135723596
,135727477
,136368068
,136377786
,136895641
,136920280
,137005640
,137255348
,141853509
,143499369
,144115666
,152237700
,152258100
,152344243
,160646939
,47209066
,56053773
,57299275
,85197660
,93581006
,99436961
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| ChEBI ID |
CHEBI:83766
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| TTD Drug ID | ||||||
| DT(s) Transporting This Drug | P-GP | Transporter Info | P-glycoprotein 1 | Substrate | [2] | |
| References | ||||||
| 1 | Olaparib was approved by FDA. The official website of the U.S. Food and Drug Administration. (2019) | |||||
| 2 | Overexpressed ABCB1 Induces Olaparib-Taxane Cross-Resistance in Advanced Prostate Cancer. Transl Oncol. 2019 May 7;12(7):871-878. | |||||
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