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Ligand

NameCHEMBL2113004
Molecular formulaC34H46ClN5O4S
IUPAC nameN-[(2R)-3-(4-chlorophenyl)-1-[4-[2-[cyclopropylmethyl(methylsulfonyl)amino]phenyl]piperazin-1-yl]-1-oxopropan-2-yl]-1-cyclohexylazetidine-3-carboxamide
Molecular weight656.283
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP4.8
SynonymsLS-193316
BDBM50024300
Inchi KeyAKSYORBMAMSWCJ-SSEXGKCCSA-N
Inchi IDInChI=1S/C34H46ClN5O4S/c1-45(43,44)40(22-26-11-12-26)32-10-6-5-9-31(32)37-17-19-38(20-18-37)34(42)30(21-25-13-15-28(35)16-14-25)36-33(41)27-23-39(24-27)29-7-3-2-4-8-29/h5-6,9-10,13-16,26-27,29-30H,2-4,7-8,11-12,17-24H2,1H3,(H,36,41)/t30-/m1/s1
PubChem CID24848934
ChEMBLCHEMBL2113004
IUPHARN/A
BindingDB50024300
DrugBankN/A

Structure

SDF download

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

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
7872Melanocortin receptor 4P32245MC4RHomo sapiens (Human)332

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