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Ligand

NameCHEMBL1683074
Molecular formulaC25H37F3N4O3
IUPAC name[(1S,3R)-3-[[(3S,4S)-3-methoxyoxan-4-yl]amino]-1-propan-2-ylcyclopentyl]-[4-[4-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]methanone
Molecular weight498.591
Hydrogen bond acceptor9
Hydrogen bond donor1
XlogP3.0
Synonyms((3S,4S)-N-[(1R,3S)-3-isopropyl-3-({4-[4-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}carbonyl)cyclopentyl]-3-methoxytetrahydro-2H-pyran-4-amine
((1S,3R)-1-isopropyl-3-((3S,4S)-3-methoxytetrahydro-2H-pyran-4-ylamino)cyclopentyl)(4-(4-(trifluoromethyl)pyridin-2-yl)piperazin-1-yl)methanone
BDBM50337619
PF-903
Inchi KeyDQWSENNLMPJNRJ-WHLIWEHUSA-N
Inchi IDInChI=1S/C25H37F3N4O3/c1-17(2)24(7-4-19(15-24)30-20-6-13-35-16-21(20)34-3)23(33)32-11-9-31(10-12-32)22-14-18(5-8-29-22)25(26,27)28/h5,8,14,17,19-21,30H,4,6-7,9-13,15-16H2,1-3H3/t19-,20+,21-,24+/m1/s1
PubChem CID50992246
ChEMBLCHEMBL1683074
IUPHARN/A
BindingDB50337619
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: 5
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
66702C-C chemokine receptor type 2O55193Ccr2Rattus norvegicus (Rat)373
66704C-C chemokine receptor type 2P41597CCR2Homo sapiens (Human)374
66706C-C chemokine receptor type 2P51683Ccr2Mus musculus (Mouse)373
66703C-C chemokine receptor type 5P51681CCR5Homo sapiens (Human)352
66705C-C chemokine receptor type 5P51682Ccr5Mus musculus (Mouse)354

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