Drug Information
| General Information | ||||||
|---|---|---|---|---|---|---|
| Drug ID |
DR00219
|
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| Drug Name |
Idelalisib
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| Synonyms |
(S)-2-(1-((9H-Purin-6-yl)amino)propyl)-5-fluoro-3-phenylquinazolin-4(3H)-one; (S)-2-(1-(9H-purin-6-ylamino)propyl)-5-fluoro-3-phenylquinazolin-4(3H)-one; 1146702-54-6; 5-FLUORO-3-PHENYL-2-[(1S)-1-(9H-PURIN-6-YLAMINO)PROPYL]-4(3H)-QUINAZOLINONE; 5-Fluoro-3-phenyl-2-((S)-1-(9H-purin-6-ylamino)-propyl)-3H-quinazolin-4-one; AK145603; CAL 101; CAL-101; CAL-101 (Idelalisib, GS-1101); CAL101; CHEBI:82701; CHEMBL2216870; GS-1101; Idelalisib; UNII-YG57I8T5M0; YG57I8T5M0; Zydelig
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| Drug Type |
Small molecular drug
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| Indication | Chronic lymphocytic leukemia [ICD11:2A82.0] | Approved | [1] | |||
| Structure |
|
 |
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| 3D MOL | 2D MOL | |||||
| Formula |
C22H18FN7O
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| Canonical SMILES |
CCC(C1=NC2=C(C(=CC=C2)F)C(=O)N1C3=CC=CC=C3)NC4=NC=NC5=C4NC=N5
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| InChI |
InChI=1S/C22H18FN7O/c1-2-15(28-20-18-19(25-11-24-18)26-12-27-20)21-29-16-10-6-9-14(23)17(16)22(31)30(21)13-7-4-3-5-8-13/h3-12,15H,2H2,1H3,(H2,24,25,26,27,28)/t15-/m0/s1
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| InChIKey |
IFSDAJWBUCMOAH-HNNXBMFYSA-N
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| CAS Number |
CAS 870281-82-6
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| Pharmaceutical Properties | Molecular Weight | 415.4 | Topological Polar Surface Area | 99.2 | ||
| Heavy Atom Count | 31 | Rotatable Bond Count | 5 | |||
| Hydrogen Bond Donor Count | 2 | Hydrogen Bond Acceptor Count | 7 | |||
| XLogP |
3.7
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| PubChem CID | ||||||
| PubChem SID |
124360767
,124757878
,125164680
,135294860
,136023431
,136340110
,136350004
,136367521
,136368015
,137275917
,141870606
,144115773
,152258425
,160647261
,160778577
,162011391
,162038002
,162202617
,163315619
,163352092
,163642790
,163908064
,164043527
,164193919
,16728852
,170497648
,170501514
,172650954
,172913174
,174531110
,177749172
,178103352
,184826685
,198954688
,198994003
,215785737
,223447422
,223471406
,223573729
,223705059
,224220340
,225144930
,226689936
,248327652
,249737291
,249814532
,249828711
,250183703
,250220450
,78058152
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| ChEBI ID |
ChEBI:82701
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| TTD Drug ID | ||||||
| DT(s) Transporting This Drug | BCRP | Transporter Info | Breast cancer resistance protein | Substrate | [2] | |
| References | ||||||
| 1 | Idelalisib was approved by FDA. The official website of the U.S. Food and Drug Administration. (2019) | |||||
| 2 | DrugBank 5.0: a major update to the DrugBank database for 2018. Nucleic Acids Res. 2018 Jan 4;46(D1):D1074-D1082. (ID: DB09054) | |||||
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