DIMETHYL 4-[3-METHOXY-4-(2-MORPHOLIN-4-YL-2-OXOETHOXY)PHENYL]-2,6-DIMETHYL-1,4-DIHYDROPYRIDINE-3,5-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 MVAJDIQJDUORMS-UHFFFAOYSA-N
Smiles COC(=O)C1=C(C)NC(=C(C1c2ccc(OCC(=O)N3CCOCC3)c(OC)c2)C(=O)OC)C
InChI
InChI=1S/C24H30N2O8/c1-14-20(23(28)31-4)22(21(15(2)25-14)24(29)32-5)16-6-7-17(18(12-16)30-3)34-13-19(27)26-8-10-33-11-9-26/h6-7,12,22,25H,8-11,13H2,1-5H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H30N2O8
Molecular Weight 474.5
AlogP 0.79
Hydrogen Bond Acceptor 9.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 9.0
Polar Surface Area 112.63
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 34.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Ion channel Voltage-gated ion channel Voltage-gated calcium channel
- - - - 0-56.5
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Rattus norvegicus
- - - - 0-56.5

Cross References

Resources Reference
ChEMBL CHEMBL2234045
PubChem 76322650
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