Drug Information

Drug General Information
Drug ID
D0J3FH
Former ID
DIB020510
Drug Name
NDT9520492
Drug Type
Small molecular drug
Indication Discovery agent Investigative [541100]
Structure
Download
2D MOL
Formula
C38H35FN2O
InChI
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
InChIKey
OEINKGYXWSIVKM-KJICVINHSA-N
PubChem Compound ID
10218379
PubChem Substance ID
15217410, 22607656, 40332884, 78343734, 143237575, 178100218, 230998100, 246745184
Target and Pathway
Target(s) C5aR Target Info Antagonist [527806]
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
Ref 541100(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 527806Molecular characterization of the gerbil C5a receptor and identification of a transmembrane domain V amino acid that is crucial for small molecule antagonist interaction. J Biol Chem. 2005 Dec 9;280(49):40617-23. Epub 2005 Oct 17.

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