Synonyms
Status
Molecule Category Free-form
ATC N05CF02
UNII 7K383OQI23
EPA CompTox DTXSID7045946

Structure

InChI Key ZAFYATHCZYHLPB-UHFFFAOYSA-N
Smiles Cc1ccc(-c2nc3ccc(C)cn3c2CC(=O)N(C)C)cc1
InChI
InChI=1S/C19H21N3O/c1-13-5-8-15(9-6-13)19-16(11-18(23)21(3)4)22-12-14(2)7-10-17(22)20-19/h5-10,12H,11H2,1-4H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H21N3O
Molecular Weight 307.4
AlogP 3.25
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 3.0
Polar Surface Area 37.61
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 23.0

Pharmacology

EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Bos taurus
- - - 51 -
Cricetulus griseus
- - - - 78.05-177.44
Homo sapiens
180-240 - - 20-400 -
Rattus norvegicus
191-341 48 - 19-980 35-220
Xenopus laevis
198-737 - - - -

Related Entries

Environmental Exposure

Countries
Croatia
Czech Republic
Germany
Hungary
Romania
Serbia
Slovakia
Slovenia

Cross References

Resources Reference
ChEBI 10125
ChEMBL CHEMBL911
DrugBank DB00425
DrugCentral 2870
FDA SRS 7K383OQI23
Human Metabolome Database HMDB0005023
Guide to Pharmacology 4362
KEGG C07219
PharmGKB PA451976
PubChem 5732
SureChEMBL SCHEMBL80516
ZINC ZINC000000003876