Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0F1FD
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| Drug Name |
Complex heterocyclic compound 1
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| Synonyms |
PMID28447479-Compound-30
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| Drug Type |
Small molecular drug
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| Indication | Inflammation [ICD-11: 1A00-CA43.1] | Patented | [1] | |
| Company |
GALAPAGOS NV
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| Structure |
 |
Download2D MOL |
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| Formula |
C29H30F2N8O2S
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| Canonical SMILES |
CCC1=C(N2C=C(C=C(C2=N1)F)N3CCN(CC3)CC(=O)N4CC(C4)O)N(C)C5=NC(=C(S5)C#N)C6=CC=C(C=C6)F
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| InChI |
1S/C29H30F2N8O2S/c1-3-23-28(35(2)29-34-26(24(13-32)42-29)18-4-6-19(30)7-5-18)39-14-20(12-22(31)27(39)33-23)37-10-8-36(9-11-37)17-25(41)38-15-21(40)16-38/h4-7,12,14,21,40H,3,8-11,15-17H2,1-2H3
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| InChIKey |
XWIATKKSLBPZTC-UHFFFAOYSA-N
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Extracellular lysophospholipase D (E-NPP2) | Target Info | Inhibitor | [1] |
| Target's Patent Info | Extracellular lysophospholipase D (E-NPP2) | Target's Patent Info | [1] | |
| KEGG Pathway | Ether lipid metabolism | |||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Autotaxin inhibitors: a patent review (2012-2016).Expert Opin Ther Pat. 2017 Jul;27(7):815-829. | |||
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