Drug Information

Drug General Information
Drug ID
D0N3RM
Former ID
DIB018957
Drug Name
befetupitant
Synonyms
Ro 67-5930; Ro-675930
Drug Type
Small molecular drug
Indication Discovery agent Investigative [541093]
Structure
Download
2D MOL
Formula
C29H29F6N3O2
InChI
InChI=1S/C29H29F6N3O2/c1-18-7-5-6-8-22(18)23-16-25(38-9-11-40-12-10-38)36-17-24(23)37(4)26(39)27(2,3)19-13-20(28(30,31)32)15-21(14-19)29(33,34)35/h5-8,13-17H,9-12H2,1-4H3
InChIKey
ZGNPLCMMVKCTHM-UHFFFAOYSA-N
PubChem Compound ID
6450815
PubChem Substance ID
11972268, 14861937, 17397374, 43041859, 52554750, 57370227, 85226832, 103482037, 104063871, 114525924, 125683130, 129899425, 135238294, 137263460, 142494960, 178102384, 179322424, 198949472, 223760333, 227614722
Target and Pathway
Target(s) Substance-P receptor Target Info Antagonist [527912]
KEGG Pathway Calcium signaling pathway
Neuroactive ligand-receptor interaction
Measles
PANTHER Pathway CCKR signaling map ST
Reactome G alpha (q) signalling events
WikiPathways SIDS Susceptibility Pathways
Gastrin-CREB signalling pathway via PKC and MAPK
Spinal Cord Injury
Peptide GPCRs
GPCR ligand binding
GPCR downstream signaling
References
Ref 541093(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: 5759).
Ref 527912Design and synthesis of a novel, achiral class of highly potent and selective, orally active neurokinin-1 receptor antagonists. Bioorg Med Chem Lett. 2006 Mar 1;16(5):1362-5. Epub 2005 Dec 5.

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