MGB-BP-3

/static/temp/default.svg Search structure
Synonyms
Status
Molecule Category Free-form
UNII 532PWU9738

Structure

InChI Key OEKXCVYZBVOWBR-BQYQJAHWSA-N
Smiles Cn1cc(NC(=O)c2cc(NC(=O)c3ccc(/C=C/c4cnc5ccccc5c4)cc3)cn2C)cc1C(=O)NCCN1CCOCC1
InChI
InChI=1S/C36H37N7O4/c1-41-24-30(20-32(41)35(45)37-13-14-43-15-17-47-18-16-43)40-36(46)33-21-29(23-42(33)2)39-34(44)27-11-9-25(10-12-27)7-8-26-19-28-5-3-4-6-31(28)38-22-26/h3-12,19-24H,13-18H2,1-2H3,(H,37,45)(H,39,44)(H,40,46)/b8-7+

Physicochemical Descriptors

Property Name Value
Molecular Formula C36H37N7O4
Molecular Weight 631.74
AlogP 4.65
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 10.0
Polar Surface Area 122.52
Molecular species NEUTRAL
Aromatic Rings 5.0
Heavy Atoms 47.0

Pharmacology

Mechanism of Action Action Reference
DNA binding agent BINDING AGENT PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Ion channel Voltage-gated ion channel Potassium channels Voltage-gated potassium channel
- - - - 65
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- - - - 65

Cross References

Resources Reference
ChEMBL CHEMBL236345
DrugBank DB12892
FDA SRS 532PWU9738
Guide to Pharmacology 10996
PubChem 23730143
SureChEMBL SCHEMBL2398755
ZINC ZINC000028864451
CONTENTS