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Ligand

NameCHEMBL434747
Molecular formulaC30H40ClFN4O2
IUPAC name3-(3-chloro-4-fluorophenyl)-1-[2-[di(propan-2-yl)amino]ethyl]-1-[(3R,6S)-6-[3-[(E)-methoxyiminomethyl]phenyl]-3-bicyclo[4.1.0]heptanyl]urea
Molecular weight543.124
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP6.8
SynonymsBDBM50215614
3-(3-chloro-4-fluorophenyl)-1-(2-(diisopropylamino)ethyl)-1-((3R,6S)-6-(3-((E)-(methoxyimino)methyl)phenyl)bicyclo[4.1.0]heptan-3-yl)urea
Inchi KeyAMRCVMXHDLSWKR-MBVDHQLWSA-N
Inchi IDInChI=1S/C30H40ClFN4O2/c1-20(2)35(21(3)4)13-14-36(29(37)34-25-9-10-28(32)27(31)17-25)26-11-12-30(18-24(30)16-26)23-8-6-7-22(15-23)19-33-38-5/h6-10,15,17,19-21,24,26H,11-14,16,18H2,1-5H3,(H,34,37)/b33-19+/t24?,26-,30-/m1/s1
PubChem CID44424206
ChEMBLCHEMBL434747
IUPHARN/A
BindingDB50215614
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
9174Melanin-concentrating hormone receptor 1Q99705MCHR1Homo sapiens (Human)422
9175Melanin-concentrating hormone receptor 1Q8JZL2Mchr1Mus musculus (Mouse)353

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