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Compound Detail

CHEMBL3775495

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CC(=O)Nc1ccc(O)c(-c2ccccn2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3775495
Phase Preclinical
Structure Type MOL
InChI Key YXKSDVMLMPNJTR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

228.2
MW (Da)
2.41
ALogP
3
HBA
2
HBD
62.2
PSA (Ų)
0.78
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H12N2O2
MW 228.25
Aromatic Rings 2
Heavy Atoms 17
NP-Likeness -1.19

Literature References

PubMed DOI Target Context # Activities
26699912 10.1021/acs.jmedchem.5b01527 Lysine-specific demethylase 4C 2

Data from ChEMBL 36 via Core Engine