Trade Names
Synonyms
Status
Molecule Category Free-form
ATC B02BX05
UNII S56D65XJ9G

Structure

InChI Key XDXWLKQMMKQXPV-QYQHSDTDSA-N
Smiles CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=N\Nc1cccc(-c2cccc(C(=O)O)c2)c1O
InChI
InChI=1S/C25H22N4O4/c1-14-10-11-19(12-15(14)2)29-24(31)22(16(3)28-29)27-26-21-9-5-8-20(23(21)30)17-6-4-7-18(13-17)25(32)33/h4-13,26,30H,1-3H3,(H,32,33)/b27-22-

Physicochemical Descriptors

Property Name Value
Molecular Formula C25H22N4O4
Molecular Weight 442.48
AlogP 4.56
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 5.0
Polar Surface Area 114.59
Molecular species ACID
Aromatic Rings 3.0
Heavy Atoms 33.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Ion channel Voltage-gated ion channel Potassium channels Voltage-gated potassium channel
- 630.96-690 - - -
Membrane receptor
38-38 - - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
38-38 690 - - -

Related Entries

Cross References

Resources Reference
ChEBI 85010
ChEMBL CHEMBL461101
DrugBank DB06210
DrugCentral 4399
FDA SRS S56D65XJ9G
Guide to Pharmacology 6961
SureChEMBL SCHEMBL211081
ZINC ZINC000011679756