Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0U3SY
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| Drug Name |
Alectinib
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| Synonyms |
1256580-46-7; CH5424802; CH 5424802; AF-802; Alecensa; UNII-LIJ4CT1Z3Y; AF 802; LIJ4CT1Z3Y; Alectinib (CH5424802); 9-ethyl-6,6-dimethyl-8-(4-morpholinopiperidin-1-yl)-11-oxo-6,11-dihydro-5H-benzo[b]carbazole-3-carbonitrile; CHEMBL1738797; AF802; 9-Ethyl-6,6-Dimethyl-8-[4-(Morpholin-4-Yl)piperidin-1-Yl]-11-Oxo-6,11-Dihydro-5h-Benzo[b]carbazole-3-Carbonitrile; 9-Ethyl-6,11-dihydro-6,6-dimethyl-8-[4-(4-morpholinyl)-1-piperidinyl]-11-oxo-5H-benzo[b]carbazole-3-carbonitrile; AK170451; C30H34N4O2; Alectinib; 9-ethyl-6,6-dimethyl-
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| Drug Type |
Small molecular drug
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| Indication | Lung cancer [ICD-11: 2C25.0; ICD-9: 162] | Approved | [1] | |
| Non-small-cell lung cancer [ICD-11: 2C25.Y] | Phase 2 | [2], [3] | ||
| Structure |
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Download2D MOL |
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| Formula |
C30H34N4O2
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| Canonical SMILES |
CCC1=CC2=C(C=C1N3CCC(CC3)N4CCOCC4)C(C5=C(C2=O)C6=C(N5)C=C(C=C6)C#N)(C)C
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| InChI |
1S/C30H34N4O2/c1-4-20-16-23-24(17-26(20)34-9-7-21(8-10-34)33-11-13-36-14-12-33)30(2,3)29-27(28(23)35)22-6-5-19(18-31)15-25(22)32-29/h5-6,15-17,21,32H,4,7-14H2,1-3H3
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| InChIKey |
KDGFLJKFZUIJMX-UHFFFAOYSA-N
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| CAS Number |
CAS 1256580-46-7
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| PubChem Compound ID | ||||
| ChEBI ID |
CHEBI:90936
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| ADReCS Drug ID | BADD_D00063 ; BADD_D02480 | |||
| Drug Resistance Mutation (DRM) | Top | |||
|---|---|---|---|---|
| DRM | DRM Info | |||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | ALK tyrosine kinase receptor (ALK) | Target Info | Inhibitor | [4] |
| KEGG Pathway | Non-small cell lung cancer | |||
| WikiPathways | Differentiation Pathway | |||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Alectinib versus crizotinib in patients with ALK-positive non-small-cell lung cancer (J-ALEX): an open-label, randomised phase 3 trial. Lancet. 2017 Jul 1;390(10089):29-39. | |||
| REF 2 | 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: 7739). | |||
| REF 3 | ClinicalTrials.gov (NCT01871805) A Study of CH5424802/RO5424802 in Patients With ALK-Rearranged Non-Small Cell Lung Cancer. U.S. National Institutes of Health. | |||
| REF 4 | CH5424802, a selective ALK inhibitor capable of blocking the resistant gatekeeper mutant. Cancer Cell. 2011 May 17;19(5):679-90. | |||
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