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Ligand

NameCHEMBL1290522
Molecular formulaC25H29F3N4O3
IUPAC nameN-[2-[[(3S,4S)-4-hydroxy-1-(1-phenylpiperidin-4-yl)pyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
Molecular weight490.527
Hydrogen bond acceptor8
Hydrogen bond donor3
XlogP3.1
SynonymsBDBM50331721
N-(2-((3S,4S)-4-hydroxy-1-(1-phenylpiperidin-4-yl)pyrrolidin-3-ylamino)-2-oxoethyl)-3-(trifluoromethyl)benzamide
Inchi KeyAAZMPANXGYITPF-VXKWHMMOSA-N
Inchi IDInChI=1S/C25H29F3N4O3/c26-25(27,28)18-6-4-5-17(13-18)24(35)29-14-23(34)30-21-15-32(16-22(21)33)20-9-11-31(12-10-20)19-7-2-1-3-8-19/h1-8,13,20-22,33H,9-12,14-16H2,(H,29,35)(H,30,34)/t21-,22-/m0/s1
PubChem CID52947417
ChEMBLCHEMBL1290522
IUPHARN/A
BindingDB50331721
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: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
659C-C chemokine receptor type 2P41597CCR2Homo sapiens (Human)374

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