N-PHTHALOYLANTHRANILIC ACID

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Synonyms
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 RSKJDIQHYKWJLS-UHFFFAOYSA-N
Smiles OC(=O)c1ccccc1N2C(=O)c3ccccc3C2=O
InChI
InChI=1S/C15H9NO4/c17-13-9-5-1-2-6-10(9)14(18)16(13)12-8-4-3-7-11(12)15(19)20/h1-8H,(H,19,20)

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H9NO4
Molecular Weight 267.24
AlogP 2.07
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 74.68
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 20.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Ion channel Voltage-gated ion channel Voltage-gated sodium channel
- - - 337800 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- - - 337800 -

Cross References

Resources Reference
ChEMBL CHEMBL419845
PubChem 269700
SureChEMBL SCHEMBL481284
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