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Ligand

NameCHEMBL1270464
Molecular formulaC26H26F6N4O
IUPAC nameN-[(3S,6S)-6-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]pyrimidin-2-amine
Molecular weight524.511
Hydrogen bond acceptor11
Hydrogen bond donor2
XlogP5.5
SynonymsSCHEMBL12776435
BDBM50328978
N-((3S,6S)-6-(((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)methyl)-6-phenylpiperidin-3-yl)pyrimidin-2-amine
Inchi KeyANSDKCGTAPTVGF-OUPRXKBMSA-N
Inchi IDInChI=1S/C26H26F6N4O/c1-17(18-12-20(25(27,28)29)14-21(13-18)26(30,31)32)37-16-24(19-6-3-2-4-7-19)9-8-22(15-35-24)36-23-33-10-5-11-34-23/h2-7,10-14,17,22,35H,8-9,15-16H2,1H3,(H,33,34,36)/t17-,22+,24-/m1/s1
PubChem CID52945787
ChEMBLCHEMBL1270464
IUPHARN/A
BindingDB50328978
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
9820Substance-P receptorP25103TACR1Homo sapiens (Human)407

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