BMS-394136

Search structure
Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: M694U7167K

Structure
InChI Key LADJRPDOKVCQCG-NZQKXSOJSA-N
Smile CC1=C(C(=O)N2CCC[C@H]2c2ccc(F)cc2)[C@@H](c2ccc(Cl)c(Cl)c2)n2nccc2N1
InChI
InChI=1S/C24H21Cl2FN4O/c1-14-22(24(32)30-12-2-3-20(30)15-4-7-17(27)8-5-15)23(31-21(29-14)10-11-28-31)16-6-9-18(25)19(26)13-16/h4-11,13,20,23,29H,2-3,12H2,1H3/t20-,23+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H21Cl2FN4O
Molecular Weight 471.36
AlogP 5.98
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 50.16
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 32.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Ion channel Voltage-gated ion channel Potassium channels Voltage-gated potassium channel
- 50 - - 30

Indications

Mesh Heading Maximum Phase Reference
Heart Diseases Phase 1 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 343246-73-1
ChEMBL CHEMBL602070
DrugBank DB12067
FDA SRS M694U7167K
PubChem 135446049
ZINC ZINC000035862906
CONTENTS