| BioID | bio2953 |
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| Name | CANERTINIB |
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| ChEMBL ID | CHEMBL31965 |
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| Molecular Formula | C24H25ClFN5O3 |
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| Molecular Weight | 485.95 |
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| Molecular Weight (Monoisotopic) | 485.163 |
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| Type | Small molecule |
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| Max Phase | Phase 3 |
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| Target ID | Tar12 |
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| Target Name | Toll-like receptor 9 (TLR9) |
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| Synonyms | CANERTINIB|CI-1033 |
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| Smiles | C=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCN1CCOCC1 |
|---|
| Inchi | InChI=1S/C24H25ClFN5O3/c1-2-23(32)30-21-13-17-20(14-22(21)34-9-3-6-31-7-10-33-11-8-31)27-15-28-24(17)29-16-4-5-19(26)18(25)12-16/h2,4-5,12-15H,1,3,6-11H2,(H,30,32)(H,27,28,29) |
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| Inchi Key | OMZCMEYTWSXEPZ-UHFFFAOYSA-N |
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| Molecular Species | NEUTRAL |
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| Targets | 509.0 |
|---|
| Bioactivities | 1336.0 |
|---|
| Np Likeness Score | -1.82 |
|---|
| Records Key | ['18', 'CI-1033', 'SID124894124', 'CI-1033', '3 (CI-1033)', '4', 'CI-1033', 'Cl-1033', 'CI-1033', 'SID144206912', 'CI-1033', 'GW781483', '2', 'Canertinib', 'SID174006548', 'CI-1033', 'Canertinib', '35', 'Canertinib', 'Canertinib', '6; CI-1033', '629', 'COVC-1746942513', 'Canertinib', '22, CI-1033', 'CI-1033 (CANERTINIB)', '34; CI-1033', 'CI-1033 (Canertinib)', 'CI-1033 (Canertinib)', 'Canertinib', 'Canertinib', 'CANERTINIB', 'Canertinib', 'CANERTINIB', 'Canertinib', 'CI-1033', 'CI-1033 (Canertinib)', '16; CI-1033', '23', 'Canertinib', '41; CI-1033', '35', 'EOS101079'] |
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| Records Name | ['N-[4-(3-Chloro-4-fluoro-phenylamino)-7-(3-morpholin-4-yl-propoxy)-quinazolin-6-yl]-acrylamide', 'N-(4-(3-chloro-4-fluorophenylamino)-7-(3-morpholinopropoxy)quinazolin-6-yl)acrylamide', 'SID124894124', 'N-[4-(3-Chloro-4-fluoro-phenylamino)-7-(3-morpholin-4-yl-propoxy)-quinazolin-6-yl]-acrylamide', 'N-[4-(3-Chloro-4-fluoro-phenylamino)-7-(3-morpholin-4-yl-propoxy)-quinazolin-6-yl]-acrylamide', 'canertinib', 'N-[4-(3-Chloro-4-fluoro-phenylamino)-7-(3-morpholin-4-yl-propoxy)-quinazolin-6-yl]-acrylamide', 'N-(4-(3-chloro-4-fluorophenylamino)-7-(3-morpholinopropoxy)quinazolin-6-yl)acrylamide', 'N-(4-(3-chloro-4-fluorophenylamino)-7-(3-morpholinopropoxy)quinazolin-6-yl)acrylamide', 'SID144206912', 'CI-1033', 'GW781483', 'Canertinib', 'Canertinib', 'SID174006548', 'N-(4-(3-chloro-4-fluorophenylamino)-7-(3-morpholinopropoxy)quinazolin-6-yl)acrylamide', 'Canertinib', 'Canertinib', 'Canertinib', 'Canertinib', 'Canertinib', None, 'CANERTINIB', 'Canertinib', 'Canertinib', 'CI-1033 (CANERTINIB)', 'Canertinib', 'CI-1033 (Canertinib)', 'CI-1033 (Canertinib)', 'Canertinib', 'Canertinib', 'CANERTINIB', 'Canertinib', 'CANERTINIB', 'Canertinib', 'N-(4-(3-chloro-4-fluorophenylamino)-7-(3-morpholinopropoxy)quinazolin-6-yl)acrylamide', 'CI-1033 (Canertinib)', 'Canertinib', 'Canertinib', 'Canertinib', 'Canertinib', 'Canertinib', 'CANERTINIB'] |
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| Withdrawn Flag | False |
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| Orphan | 0 |
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