Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D04FHB
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| Former ID |
DCL001079
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| Drug Name |
R547
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| Synonyms |
LIA; R-547; [4-amino-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrimidin-5-yl]-(2,3-difluoro-6-methoxyphenyl)methanone
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| Drug Type |
Small molecular drug
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| Indication | Advanced solid tumour [ICD-11: 2A00-2F9Z; ICD-9: 140-199] | Discontinued in Phase 1 | [1], [2] | |
| Company |
Hoffmann CLa Roche
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| Structure |
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Download2D MOL |
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| Formula |
C18H21F2N5O4S
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| Canonical SMILES |
COC1=C(C(=C(C=C1)F)F)C(=O)C2=CN=C(N=C2N)NC3CCN(CC3)S(=O)(=O)C
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| InChI |
1S/C18H21F2N5O4S/c1-29-13-4-3-12(19)15(20)14(13)16(26)11-9-22-18(24-17(11)21)23-10-5-7-25(8-6-10)30(2,27)28/h3-4,9-10H,5-8H2,1-2H3,(H3,21,22,23,24)
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| InChIKey |
JRNJNYBQQYBCLE-UHFFFAOYSA-N
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| CAS Number |
CAS 741713-40-6
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| PubChem Compound ID | ||||
| PubChem Substance ID |
12015951, 15453136, 17195139, 17403967, 43530215, 46394148, 46513075, 50076906, 52508604, 57372039, 99444565, 103501363, 114788663, 126635301, 126671462, 136349555, 136367686, 136920370, 137220536, 139479662, 152258059, 160646897, 160969149, 162011616, 162142463, 162205203, 163642576, 164777773, 171578722, 174007020, 174530544, 178102334, 180404375, 186014498, 189622859, 196109935, 198942799, 223401007, 223680327, 223704837, 223892540, 228511370, 241140956, 242586092, 248485759, 251971023, 252160625, 252216168, 252438943, 252671609
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| 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: 5707). | |||
| REF 2 | Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800018924) | |||
| REF 3 | Cell cycle kinases as therapeutic targets for cancer. Nat Rev Drug Discov. 2009 Jul;8(7):547-66. | |||
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