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Ligand

NameCHEMBL3596453
Molecular formulaC22H24F3N5O
IUPAC name4-[[3-(1-methyltetrazol-5-yl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine
Molecular weight431.463
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP3.6
SynonymsYBONVDRNZRBMIK-UHFFFAOYSA-N
BDBM50108634
SCHEMBL3584802
4-((3-(1-Methyl-1H-tetrazol-5-yl)-5-(trifluoromethyl)benzyloxy)methyl)-4-phenylpiperidine
Inchi KeyYBONVDRNZRBMIK-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H24F3N5O/c1-30-20(27-28-29-30)17-11-16(12-19(13-17)22(23,24)25)14-31-15-21(7-9-26-10-8-21)18-5-3-2-4-6-18/h2-6,11-13,26H,7-10,14-15H2,1H3
PubChem CID58993550
ChEMBLCHEMBL3596453
IUPHARN/A
BindingDB50108634
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
513046Substance-P receptorQ5DUB1TACR1Meriones unguiculatus (Mongolian jird)407
569918Substance-P receptorP14600Tacr1Rattus norvegicus (Rat)407

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