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Compound Detail

CHEMBL1813491

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O=C(NC(c1ccco1)c1cc(Cl)c2cccnc2c1O)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1813491
Phase Preclinical
Structure Type MOL
InChI Key NCZBHATWWRNOGP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

378.8
MW (Da)
4.71
ALogP
4
HBA
2
HBD
75.4
PSA (Ų)
0.54
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H15ClN2O3
MW 378.82
Aromatic Rings 4
Heavy Atoms 27
NP-Likeness -1.23

Literature References

PubMed DOI Target Context # Activities
21739938 10.1021/jm2005089 Polyunsaturated fatty acid lipoxygenase ALOX12 1

Data from ChEMBL 36 via Core Engine