Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0J3FH
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| Former ID |
DIB020510
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| Drug Name |
NDT9520492
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| Synonyms |
NDT9520492; GTPL578; SCHEMBL5136510; NDT-9520492; 610297-00-2
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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 |
C38H35FN2O
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| Canonical SMILES |
CC(C(=O)N(CC1=CC=CC=C1F)C2CC3=CC=CC=C3C2)N4CCC5=CC=CC=C5C4C6=CC=CC7=CC=CC=C76
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| InChI |
1S/C38H35FN2O/c1-26(38(42)41(25-31-15-6-9-20-36(31)39)32-23-29-13-2-3-14-30(29)24-32)40-22-21-28-12-5-8-18-34(28)37(40)35-19-10-16-27-11-4-7-17-33(27)35/h2-20,26,32,37H,21-25H2,1H3/t26-,37+/m0/s1
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| InChIKey |
OEINKGYXWSIVKM-KJICVINHSA-N
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| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | C5a anaphylatoxin chemotactic receptor (C5AR1) | Target Info | Antagonist | [2] |
| KEGG Pathway | Neuroactive ligand-receptor interaction | |||
| Complement and coagulation cascades | ||||
| Staphylococcus aureus infection | ||||
| Panther Pathway | Inflammation mediated by chemokine and cytokine signaling pathway | |||
| Reactome | Peptide ligand-binding receptors | |||
| G alpha (i) signalling events | ||||
| WikiPathways | Complement and Coagulation Cascades | |||
| Human Complement System | ||||
| Peptide GPCRs | ||||
| GPCR ligand binding | ||||
| GPCR downstream signaling | ||||
| 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: 578). | |||
| REF 2 | Molecular characterization of the gerbil C5a receptor and identification of a transmembrane domain V amino acid that is crucial for small molecule ... J Biol Chem. 2005 Dec 9;280(49):40617-23. | |||
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