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Ligand

NameCHEMBL229823
Molecular formulaC28H35Cl2N5O
IUPAC name1-[(3R,6S)-6-(3-cyanophenyl)-3-bicyclo[4.1.0]heptanyl]-3-(2,6-dichloropyridin-4-yl)-1-[2-[di(propan-2-yl)amino]ethyl]urea
Molecular weight528.522
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP6.6
SynonymsBDBM50215607
SCHEMBL14266166
1-((3R,6S)-6-(3-cyanophenyl)bicyclo[4.1.0]heptan-3-yl)-3-(2,6-dichloropyridin-4-yl)-1-(2-(diisopropylamino)ethyl)urea
Inchi KeyFYELBWLBZNSANX-FKCQOYNMSA-N
Inchi IDInChI=1S/C28H35Cl2N5O/c1-18(2)34(19(3)4)10-11-35(27(36)32-23-14-25(29)33-26(30)15-23)24-8-9-28(16-22(28)13-24)21-7-5-6-20(12-21)17-31/h5-7,12,14-15,18-19,22,24H,8-11,13,16H2,1-4H3,(H,32,33,36)/t22?,24-,28-/m1/s1
PubChem CID44424196
ChEMBLCHEMBL229823
IUPHARN/A
BindingDB50215607
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis 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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
90154Melanin-concentrating hormone receptor 1Q99705MCHR1Homo sapiens (Human)422
90155Melanin-concentrating hormone receptor 1Q8JZL2Mchr1Mus musculus (Mouse)353

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