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Compound Detail

CHEMBL4449534

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CN(C(=O)c1cccc(C(=O)N/N=C2\CCc3c(Cl)ccc(O)c32)c1)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4449534
Phase Preclinical
Structure Type MOL
InChI Key YHRRELABTIVFSF-LHLOQNFPSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

433.9
MW (Da)
4.40
ALogP
4
HBA
2
HBD
82.0
PSA (Ų)
0.60
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H20ClN3O3
MW 433.90
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.19

Literature References

PubMed DOI Target Context # Activities
27524309 10.1016/j.bmcl.2015.06.054 Lysine-specific histone demethylase 1A 3

Data from ChEMBL 36 via Core Engine