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Compound Detail

CHEMBL4250459

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COc1ccc(CC2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4250459
Phase Preclinical
Structure Type MOL
InChI Key URECYWIYYDBGTB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

433.3
MW (Da)
2.91
ALogP
5
HBA
1
HBD
84.9
PSA (Ų)
0.73
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H17BrN2O5
MW 433.26
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -0.48

Literature References

PubMed DOI Target Context # Activities
30153955 10.1016/j.bmc.2018.08.026 Lysine-specific histone demethylase 1A 1

Data from ChEMBL 36 via Core Engine