Drug Information
| General Information | ||||||
|---|---|---|---|---|---|---|
| Drug ID |
DR00182
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| Drug Name |
Dasatinib
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| Synonyms |
(18F)-N-(2-chloro-6-methylphenyl)-2-(6-(4-(2-hydroxyethyl)piperazin-1-yl)-2-methylpyrimidin-4-ylamino)thiazole-5-carboxamide; 2-(6-(4-(2-hydroxyethyl)piperazin-1-yl)-2-methylpyrimidin-4-ylamino)-N-(2-chloro-6-methylphenyl)thiazole-5-carboxamide; BMS 354825; BMS-354825; BMS-354825, Sprycel, BMS354825, Dasatinib; BMS354825; Dasatinib (USAN); Dasatinib [USAN]; Dasatinib anhydrous; Dasatinib, BMS 354825; Dasatinibum; N-(2-CHLORO-6-METHYLPHENYL)-2-({6-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]-2-METHYLPYRIMIDIN-4-YL}AMINO)-1,3-THIAZOLE-5-CARBOXAMIDE; N-(2-Chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyethyl)-1-piperazinyl]-2-methyl-4-pyrimidinyl]amino]-5-thiazolecarboxamide, monohydrate; N-(2-chloro-6-methylphenyl)-2-((6-(4-(2-hydroxyethyl)piperazin-1-yl)-2-methylpyrimidin-4-yl)amino)thiazole-5-carboxamide; N-(2-chloro-6-methylphenyl)-2-(6-(4-(2-hydroxyethyl)piperazin-1-yl)-2-methylpyrimidin-4-ylamino)thiazole-5-carboxamide; N-(2-chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide; SPRYCEL (TN); Sprycel; Spyrcel
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| Drug Type |
Small molecular drug
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| Indication | Multiple myeloma [ICD11:2A83] | Approved | [1] | |||
| Therapeutic Class |
Anticancer Agents
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| Structure |
|
 |
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| 3D MOL | 2D MOL | |||||
| Formula |
C22H26ClN7O2S
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| Canonical SMILES |
CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)CCO
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| InChI |
InChI=1S/C22H26ClN7O2S/c1-14-4-3-5-16(23)20(14)28-21(32)17-13-24-22(33-17)27-18-12-19(26-15(2)25-18)30-8-6-29(7-9-30)10-11-31/h3-5,12-13,31H,6-11H2,1-2H3,(H,28,32)(H,24,25,26,27)
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| InChIKey |
ZBNZXTGUTAYRHI-UHFFFAOYSA-N
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| CAS Number |
CAS 302962-49-8
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| Pharmaceutical Properties | Molecular Weight | 488 | Topological Polar Surface Area | 135 | ||
| Heavy Atom Count | 33 | Rotatable Bond Count | 7 | |||
| Hydrogen Bond Donor Count | 3 | Hydrogen Bond Acceptor Count | 9 | |||
| XLogP |
3.6
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| PubChem CID | ||||||
| PubChem SID |
10061134
,103501621
,103905543
,111644212
,117418208
,117695728
,118050493
,119503515
,12015788
,124361516
,124756940
,124893650
,124893651
,124893652
,125001912
,125163747
,125264620
,125347447
,126624063
,14859389
,17397755
,17422520
,36127155
,46505143
,46513626
,47883136
,48429642
,49742622
,50070229
,50070567
,50071309
,50100097
,50125840
,52995488
,53799228
,56312240
,56312839
,56313127
,56373968
,56459420
,57288451
,57354110
,57551950
,74374210
,85246174
,87235888
,87357382
,93581026
,99381604
,99437986
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| ChEBI ID |
ChEBI:49375
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| TTD Drug ID | ||||||
| DT(s) Transporting This Drug | BCRP | Transporter Info | Breast cancer resistance protein | Substrate | [2] | |
| OATP1B1 | Transporter Info | Organic anion transporting polypeptide 1B1 | Substrate | [3] | ||
| OATP1B3 | Transporter Info | Organic anion transporting polypeptide 1B3 | Substrate | [3] | ||
| P-GP | Transporter Info | P-glycoprotein 1 | Substrate | [4] | ||
| References | ||||||
| 1 | Dasatinib was approved by FDA. The official website of the U.S. Food and Drug Administration. (2019) | |||||
| 2 | Interaction of nilotinib, dasatinib and bosutinib with ABCB1 and ABCG2: implications for altered anti-cancer effects and pharmacological properties. Br J Pharmacol. 2009 Oct;158(4):1153-64. | |||||
| 3 | Contribution of OATP1B1 and OATP1B3 to the disposition of sorafenib and sorafenib-glucuronide. Clin Cancer Res. 2013 Mar 15;19(6):1458-66. | |||||
| 4 | Comparison of ATP-binding cassette transporter interactions with the tyrosine kinase inhibitors imatinib, nilotinib, and dasatinib. Drug Metab Dispos. 2010 Aug;38(8):1371-80. | |||||
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