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Ligand

NameCHEMBL1357046
Molecular formulaC19H17ClN4O2S
IUPAC nameN-(3-chloro-2-methylphenyl)-2-[(4,12-dimethyl-5-oxa-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,9,11-pentaen-9-yl)sulfanyl]acetamide
Molecular weight400.881
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP4.9
SynonymsCCG-74722
NCGC00122189-01
E514-0559
MolPort-007-736-689
ZINC6894180
[ Show all ]
Inchi KeyADEOPIWYDQUJOO-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H17ClN4O2S/c1-10-7-15-17(26-10)8-16-19(23-22-12(3)24(15)16)27-9-18(25)21-14-6-4-5-13(20)11(14)2/h4-8H,9H2,1-3H3,(H,21,25)
PubChem CID16018776
ChEMBLCHEMBL1357046
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: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
2176Relaxin receptor 1Q9HBX9RXFP1Homo sapiens (Human)757

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