3-(3-FLUOROPHENYLAMINO)-4-(1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE

/static/temp/default.svg Search structure
Molecule Category Free-form
Source Gaulton A, Kale N, van Westen GJ, Bellis LJ, Bento AP, Davies M, Hersey A, Papadatos G, Forster M, Wege P, Overington JP. A large-scale crop protection bioassay data set. Sci Data. 2015 Jul 7;2:150032. Read more ...

Structure

InChI Key QLMGZEUCKMMUCT-UHFFFAOYSA-N
Smiles Fc1cccc(NC2=C(C(=O)NC2=O)c3c[nH]c4ccccc34)c1
InChI
InChI=1S/C18H12FN3O2/c19-10-4-3-5-11(8-10)21-16-15(17(23)22-18(16)24)13-9-20-14-7-2-1-6-12(13)14/h1-9,20H,(H2,21,22,23,24)

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H12FN3O2
Molecular Weight 321.31
AlogP 2.67
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 3.0
Polar Surface Area 73.99
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 24.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase PKC family AGC protein kinase PKC alpha subfamily
- 249-251.19 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 249-251.19 - - -

Cross References

Resources Reference
ChEMBL CHEMBL186981
PubChem 44394377
SureChEMBL SCHEMBL7831858
CONTENTS