Synonyms
Status
Molecule Category Free-form
UNII 74QU6P2934

Structure

InChI Key MREBEPTUUMTTIA-PCLIKHOPSA-N
Smiles CN1CCN(CCCCN2C(=O)CN(/N=C/c3ccc(-c4ccc(Cl)cc4)o3)C2=O)CC1
InChI
InChI=1S/C23H28ClN5O3/c1-26-12-14-27(15-13-26)10-2-3-11-28-22(30)17-29(23(28)31)25-16-20-8-9-21(32-20)18-4-6-19(24)7-5-18/h4-9,16H,2-3,10-15,17H2,1H3/b25-16+

Physicochemical Descriptors

Property Name Value
Molecular Formula C23H28ClN5O3
Molecular Weight 457.96
AlogP 3.23
Hydrogen Bond Acceptor 6.0
Number of Rotational Bond 8.0
Polar Surface Area 72.6
Molecular species NEUTRAL
Aromatic Rings 2.0
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
- 180-562.34 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cavia porcellus
- 180-240 - - -
Homo sapiens
- 562.34-562.34 - - -

Related Entries

Cross References

Resources Reference
ChEBI 34545
ChEMBL CHEMBL123558
FDA SRS 74QU6P2934
Guide to Pharmacology 2588
KEGG C13777
PubChem 60939
SureChEMBL SCHEMBL26354
ZINC ZINC000021983255