Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0S9FU
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| Former ID |
DIB002255
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| Drug Name |
Simotinib
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| Synonyms |
UNII-58K797D5IK; 58K797D5IK; 944258-89-3; GTPL7640; CHEMBL3545235
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| Drug Type |
Small molecular drug
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| Indication | Solid tumour/cancer [ICD-11: 2A00-2F9Z; ICD-10: C76-C80; ICD-9: 140-229] | Phase 1 | [1], [2] | |
| Company |
Simcere Pharmaceutical Group
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| Structure |
 |
Download2D MOL
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| Formula |
C25H26ClFN4O4
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| Canonical SMILES |
COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCN4CC5(CC5)C6(C4)OCCO6
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| InChI |
1S/C25H26ClFN4O4/c1-32-21-12-20-17(23(29-15-28-20)30-16-2-3-19(27)18(26)10-16)11-22(21)33-7-6-31-13-24(4-5-24)25(14-31)34-8-9-35-25/h2-3,10-12,15H,4-9,13-14H2,1H3,(H,28,29,30)
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| InChIKey |
OXWUWXCJDBRCCG-UHFFFAOYSA-N
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| CAS Number |
CAS 944258-89-3
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| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 7640). | |||
| REF 2 | ClinicalTrials.gov (NCT01772732) Safety, Tolerability, and Pharmacokinetics of Multiple Ascending Doses of Simotinib Hydrochloride in Patients With Advanced NSCLC. U.S. National Institutes of Health. | |||
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