Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0WL1U
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| Drug Name |
PMID25656651-Compound-5
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| Drug Type |
Small molecular drug
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| Indication | Chronic myeloid leukaemia [ICD-11: 2A20; ICD-10: D47.7] | Patented | [1] | |
| Company |
ARIAD PHARMACEUTICALS, INC. HUANG, Wei-sheng RIVERA, Victor, M. CLACKSON, Timothy, P. SHAKESPEARE, William, C. SQUILLACE, Rachel, M. GOZGIT, Joseph, M
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| Structure |
 |
Download2D MOL |
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| Formula |
C29H27F3N6O
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| Canonical SMILES |
CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)CN3CCN(CC3)C)C(F)(F)F)C#CC4=CN=C5N4N=CC=C5
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| InChI |
1S/C29H27F3N6O/c1-20-5-6-22(16-21(20)8-10-25-18-33-27-4-3-11-34-38(25)27)28(39)35-24-9-7-23(26(17-24)29(30,31)32)19-37-14-12-36(2)13-15-37/h3-7,9,11,16-18H,12-15,19H2,1-2H3,(H,35,39)
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| InChIKey |
PHXJVRSECIGDHY-UHFFFAOYSA-N
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| CAS Number |
CAS 943319-70-8
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| PubChem Compound ID | ||||
| ChEBI ID |
CHEBI:78543
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| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Fusion protein Bcr-Abl (Bcr-Abl) | Target Info | Inhibitor | [1] |
| Target's Patent Info | Fusion protein Bcr-Abl (Bcr-Abl) | Target's Patent Info | [1] | |
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Bcr-Abl tyrosine kinase inhibitors: a patent review.Expert Opin Ther Pat. 2015 Apr;25(4):397-412. | |||
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