DIMETHYL 4'-((1-METHYL-1H,3'H-2,5'-BIBENZO[D]IMIDAZOL-3'-YL)METHYL)BIPHENYL-2,4-DICARBOXYLATE

/static/temp/default.svg Search structure
Molecule Category Free-form
Source Gaulton A, Kale N, van Westen GJ, Bellis LJ, Bento AP, Davies M, Hersey A, Papadatos G, Forster M, Wege P, Overington JP. A large-scale crop protection bioassay data set. Sci Data. 2015 Jul 7;2:150032. Read more ...

Structure

InChI Key AUVLITWAMHZBGL-UHFFFAOYSA-N
Smiles COC(=O)c1ccc(c2ccc(Cn3cnc4ccc(cc34)c5nc6ccccc6n5C)cc2)c(c1)C(=O)OC
InChI
InChI=1S/C32H26N4O4/c1-35-28-7-5-4-6-27(28)34-30(35)22-13-15-26-29(17-22)36(19-33-26)18-20-8-10-21(11-9-20)24-14-12-23(31(37)39-2)16-25(24)32(38)40-3/h4-17,19H,18H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C32H26N4O4
Molecular Weight 530.57
AlogP 6.01
Hydrogen Bond Acceptor 6.0
Number of Rotational Bond 8.0
Polar Surface Area 88.24
Molecular species NEUTRAL
Aromatic Rings 6.0
Heavy Atoms 40.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Membrane receptor Family A G protein-coupled receptor Peptide receptor (family A GPCR) Short peptide receptor (family A GPCR) Angiotensin receptor
- - - - 40
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Rattus norvegicus
- - - - 40

Cross References

Resources Reference
ChEMBL CHEMBL2260200
PubChem 76333732
CONTENTS