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Ligand

NameCHEMBL191393
Molecular formulaC27H24F4N4O2
IUPAC name1-[4-(3-cyanophenyl)phenyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]-1-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethyl]urea
Molecular weight512.509
Hydrogen bond acceptor8
Hydrogen bond donor2
XlogP4.5
Synonyms(R)-1-(3''-cyanobiphenyl-4-yl)-3-(4-fluoro-3-(trifluoromethyl)phenyl)-1-(2-(3-hydroxypyrrolidin-1-yl)ethyl)urea
BDBM50164243
1-(3''-Cyano-biphenyl-4-yl)-3-(4-fluoro-3-trifluoromethyl-phenyl)-1-[2-((R)-3-hydroxy-pyrrolidin-1-yl)-ethyl]-urea
Inchi KeyHQHBDTOJHLOXRD-HSZRJFAPSA-N
Inchi IDInChI=1S/C27H24F4N4O2/c28-25-9-6-21(15-24(25)27(29,30)31)33-26(37)35(13-12-34-11-10-23(36)17-34)22-7-4-19(5-8-22)20-3-1-2-18(14-20)16-32/h1-9,14-15,23,36H,10-13,17H2,(H,33,37)/t23-/m1/s1
PubChem CID11168186
ChEMBLCHEMBL191393
IUPHARN/A
BindingDB50164243
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
121385Melanin-concentrating hormone receptor 1Q99705MCHR1Homo sapiens (Human)422
121386Melanin-concentrating hormone receptor 1Q8JZL2Mchr1Mus musculus (Mouse)353
121387Melanin-concentrating hormone receptor 2Q969V1MCHR2Homo sapiens (Human)340

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