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Compound Detail

CHEMBL201368

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Cc1ccc(CNC(=O)C(C)Oc2cccc(Cl)c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL201368
Phase Preclinical
Structure Type MOL
InChI Key FUBWWKPGZKXROB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

303.8
MW (Da)
3.73
ALogP
2
HBA
1
HBD
38.3
PSA (Ų)
0.91
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 C17H18ClNO2
MW 303.79
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -1.85

Literature References

PubMed DOI Target Context # Activities
16480270 10.1021/jm050639j Polyunsaturated fatty acid lipoxygenase ALOX15 1
16480270 10.1021/jm050639j Polyunsaturated fatty acid lipoxygenase ALOX12 1

Data from ChEMBL 36 via Core Engine