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Ligand

NameSMR000064170
Molecular formulaC23H21N5O2
IUPAC name1-[(3Z)-3-(1-cyano-2-oxo-2-pyrrolidin-1-ylethylidene)isoindol-1-yl]-3-(4-methylphenyl)urea
Molecular weight399.454
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP2.5
SynonymsSR-01000605687-2
1-[(3Z)-3-(1-cyano-2-oxidanylidene-2-pyrrolidin-1-yl-ethylidene)isoindol-1-yl]-3-(4-methylphenyl)urea
HMS2427C22
AC1M2P4L
CHEMBL1412676
[ Show all ]
Inchi KeyAIIIOOSCEKLGFK-VXPUYCOJSA-N
Inchi IDInChI=1S/C23H21N5O2/c1-15-8-10-16(11-9-15)25-23(30)27-21-18-7-3-2-6-17(18)20(26-21)19(14-24)22(29)28-12-4-5-13-28/h2-3,6-11H,4-5,12-13H2,1H3,(H2,25,26,27,30)/b20-19-
PubChem CID2121656
ChEMBLCHEMBL1412676
IUPHARN/A
BindingDBN/A
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
6239Neuropeptide S receptorQ6W5P4NPSR1Homo sapiens (Human)371
6238Thyrotropin receptorP16473TSHRHomo sapiens (Human)764

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