Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0E2SI
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| Former ID |
DIB019137
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| Drug Name |
CID16197121
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| Synonyms |
MLS000766570; SMR000441998; CID16197121; GTPL8579; CHEMBL1302410; cid_16197121; BDBM114082; HMS2226B08; (4R,5S,6S)-4-(1-benzothiophen-3-yl)-6-ethoxy-5-(3-hydroxypropyl)-N-phenyl-5,6-dihydro-4H-pyran-2-carboxamide; (2S,3S,4R)-4-(benzothiophen-3-yl)-2-ethoxy-3-(3-hydroxypropyl)-N-phenyl-3,4-dihydro-2H-pyran-6-carboxamide; (2S,3S,4R)-4-(1-benzothiophen-3-yl)-2-ethoxy-3-(3-oxidanylpropyl)-N-phenyl-3,4-dihydro-2H-pyran-6-carboxamide
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
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Download2D MOL
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| Formula |
C25H27NO4S
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| Canonical SMILES |
CCOC1C(C(C=C(O1)C(=O)NC2=CC=CC=C2)C3=CSC4=CC=CC=C43)CCCO
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| InChI |
1S/C25H27NO4S/c1-2-29-25-19(12-8-14-27)20(21-16-31-23-13-7-6-11-18(21)23)15-22(30-25)24(28)26-17-9-4-3-5-10-17/h3-7,9-11,13,15-16,19-20,25,27H,2,8,12,14H2,1H3,(H,26,28)/t19-,20+,25-/m0/s1
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| InChIKey |
DPIFUIZFNOZKRB-DFIYOIEZSA-N
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| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Ras converting CAAX endopeptidase 1 (RCE1) | Target Info | Inhibitor | [2] |
| References | Top | |||
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| 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: 8579). | |||
| 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. (Target id: 2412). | |||
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