Drug General Information
Drug ID
D0P1XM
Former ID
DNC004190
Drug Name
L-736281
Drug Type
Small molecular drug
Indication Discovery agent Investigative [534156]
Structure
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2D MOL

3D MOL

Formula
C22H22F6N2O2
Canonical SMILES
C1CC(C(N(C1)CC(=O)N)C2=CC=CC=C2)OCC3=CC(=CC(=C3)C(F)(F)<br />F)C(F)(F)F
InChI
1S/C22H22F6N2O2/c23-21(24,25)16-9-14(10-17(11-16)22(26,27)28)13-32-18-7-4-8-30(12-19(29)31)20(18)15-5-2-1-3-6-15/h1-3,5-6,9-11,18,20H,4,7-8,12-13H2,(H2,29,31)/t18-,20-/m0/s1
InChIKey
SUZSWSSXVHSRLT-ICSRJNTNSA-N
PubChem Compound ID
Target and Pathway
Target(s) Substance-P receptor Target Info Inhibitor [534156]
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 534156J Med Chem. 1996 Jul 19;39(15):2907-14.N-heteroaryl-2-phenyl-3-(benzyloxy)piperidines: a novel class of potent orally active human NK1 antagonists.
Ref 534156J Med Chem. 1996 Jul 19;39(15):2907-14.N-heteroaryl-2-phenyl-3-(benzyloxy)piperidines: a novel class of potent orally active human NK1 antagonists.

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