Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D09OCY
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| Former ID |
DIB019842
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| Drug Name |
example 41 (WO2012028563)
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| Synonyms |
SCHEMBL719875; GTPL7855; example 41 [WO2012028563]
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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 |
C36H40F3N5O6S2
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| Canonical SMILES |
CC1=CSC(=N1)C2CCCN2C(=O)C3=CC(=CC(=C3)C(=O)NC(CC4=CC=CC=C4)C(CNCC5=CC(=CC=C5)OC(F)(F)F)O)N(C)S(=O)(=O)C
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| InChI |
1S/C36H40F3N5O6S2/c1-23-22-51-34(41-23)31-13-8-14-44(31)35(47)27-17-26(18-28(19-27)43(2)52(3,48)49)33(46)42-30(16-24-9-5-4-6-10-24)32(45)21-40-20-25-11-7-12-29(15-25)50-36(37,38)39/h4-7,9-12,15,17-19,22,30-32,40,45H,8,13-14,16,20-21H2,1-3H3,(H,42,46)/t30-,31+,32+/m0/s1
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| InChIKey |
GUOONOJYWQOJJP-DCMFLLSESA-N
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| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Beta-site APP-cleaving enzyme 2 (BACE2) | Target Info | Inhibitor | [2] |
| 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: 7855). | |||
| 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: 2331). | |||
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