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Compound Detail

CHEMBL4636575

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Cn1c(=O)[nH]c2ccc(-c3ccccc3)cc2c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4636575
Phase Preclinical
Structure Type MOL
InChI Key FFPKNOSKRWCOML-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

252.3
MW (Da)
1.89
ALogP
3
HBA
1
HBD
54.9
PSA (Ų)
0.72
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H12N2O2
MW 252.27
Aromatic Rings 3
Heavy Atoms 19
NP-Likeness -0.65

Literature References

PubMed DOI Target Context # Activities
31784197 10.1016/j.bmc.2019.115128 ADMET 3
31784197 10.1016/j.bmc.2019.115128 Lysine-specific demethylase 4C 1
31784197 10.1016/j.bmc.2019.115128 HepG2 1
31784197 10.1016/j.bmc.2019.115128 A549 1
31784197 10.1016/j.bmc.2019.115128 Unchecked 1

Data from ChEMBL 36 via Core Engine