MGB-BP-3

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 532PWU9738

Structure
InChI Key OEKXCVYZBVOWBR-BQYQJAHWSA-N
Smile 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

Action Mechanism of Action Reference
BINDING AGENT DNA 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
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Indications

Mesh Heading Maximum Phase Mesh ID Reference
Clostridium Infections 2 D003015 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 1000277-08-6
ChEMBL CHEMBL236345
DrugBank DB12892
FDA SRS 532PWU9738
Guide to Pharmacology 10996
PubChem 23730143
SureChEMBL SCHEMBL2398755
ZINC ZINC000028864451
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