Drug Information
| General Information | ||||||
|---|---|---|---|---|---|---|
| Drug ID |
DR00253
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| Drug Name |
Bosutinib
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| Synonyms |
4-((2,4-dichloro-5-methoxyphenyl)amino)-6-methoxy-7-(3-(4-methyl-1-piperazinyl)propoxy)-3-quinolinecarbonitrile; 4-((2,4-dichloro-5-methoxyphenyl)amino)-6-methoxy-7-(3-(4-methylpiperazin-1-yl)propoxy)quinoline-3-carbonitrile; 4-(2,4-dichloro-5-methoxyanilino)-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile; 4-[(2,4-Dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methyl-1-piperazinyl)propo; 4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile; Bosutinib (BCR-ABL inhibitor 3rd gen); Bosutinib (USAN); PF-5208763; SKI 606; SKI-606; SKI606; Xy]-3-quinolinecarbonitrile
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| Drug Type |
Small molecular drug
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| Indication | Chronic myelogenous leukemia [ICD11:2A20.0] | Approved | [1] | |||
| Therapeutic Class |
Anticancer Agents
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| Structure |
|
 |
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| 3D MOL | 2D MOL | |||||
| Formula |
C26H29Cl2N5O3
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| Canonical SMILES |
CN1CCN(CC1)CCCOC2=C(C=C3C(=C2)N=CC(=C3NC4=CC(=C(C=C4Cl)Cl)OC)C#N)OC
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| InChI |
InChI=1S/C26H29Cl2N5O3/c1-32-6-8-33(9-7-32)5-4-10-36-25-13-21-18(11-24(25)35-3)26(17(15-29)16-30-21)31-22-14-23(34-2)20(28)12-19(22)27/h11-14,16H,4-10H2,1-3H3,(H,30,31)
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| InChIKey |
UBPYILGKFZZVDX-UHFFFAOYSA-N
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| CAS Number |
CAS 380843-75-4
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| Pharmaceutical Properties | Molecular Weight | 530.4 | Topological Polar Surface Area | 82.9 | ||
| Heavy Atom Count | 36 | Rotatable Bond Count | 9 | |||
| Hydrogen Bond Donor Count | 1 | Hydrogen Bond Acceptor Count | 8 | |||
| XLogP |
5.4
|
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| PubChem CID | ||||||
| PubChem SID |
103220856
,11061176
,113911152
,118844931
,124950167
,125011711
,125349351
,126627733
,126647930
,126666992
,126731247
,134339019
,134964339
,135246638
,135642791
,135684978
,135685144
,135685145
,135685164
,135697655
,136340225
,136368026
,136920303
,137127131
,139943916
,143495997
,144115749
,14720373
,14885411
,152041940
,152234943
,152258097
,152344342
,160646936
,162011701
,162170730
,162201602
,162256836
,163884826
,164041898
,17397405
,26676000
,26746630
,39301565
,53641516
,56459346
,57361290
,8034215
,85246176
,92721109
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| ChEBI ID |
ChEBI:39112
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| TTD Drug ID | ||||||
| DT(s) Transporting This Drug | P-GP | Transporter Info | P-glycoprotein 1 | Substrate | [2] | |
| References | ||||||
| 1 | Bosutinib was approved by FDA. The official website of the U.S. Food and Drug Administration. (2019) | |||||
| 2 | In vitro and in vivo identification of ABCB1 as an efflux transporter of bosutinib. J Hematol Oncol. 2015 Jul 7;8:81. | |||||
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