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Ligand

NameCHEMBL1683055
Molecular formulaC25H36F3N3O2
IUPAC name[(1S,3R)-3-(oxan-4-ylamino)-1-propan-2-ylcyclopentyl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
Molecular weight467.577
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP4.2
SynonymsN-[(1R,3S)-3-isopropyl-3-({4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}carbonyl)cyclopentyl]tetrahydro-2H-pyran-4-amine
SCHEMBL3327106
AOPWQMZXHFQASV-QPPBQGQZSA-N
((1S,3R)-1-isopropyl-3-(tetrahydro-2H-pyran-4-ylamino)cyclopentyl)(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)methanone
BDBM50337602
Inchi KeyAOPWQMZXHFQASV-QPPBQGQZSA-N
Inchi IDInChI=1S/C25H36F3N3O2/c1-18(2)24(9-6-21(17-24)29-20-7-14-33-15-8-20)23(32)31-12-10-30(11-13-31)22-5-3-4-19(16-22)25(26,27)28/h3-5,16,18,20-21,29H,6-15,17H2,1-2H3/t21-,24+/m1/s1
PubChem CID11669935
ChEMBLCHEMBL1683055
IUPHARN/A
BindingDB50337602
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
10502C-C chemokine receptor type 2P41597CCR2Homo sapiens (Human)374
10503C-C chemokine receptor type 5P51681CCR5Homo sapiens (Human)352

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