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Compound Detail

CHEMBL3604144

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CN(C(=O)c1cc[nH]n1)c1ccccc1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3604144
Phase Preclinical
Structure Type MOL
InChI Key RUGIJXZTZFLTCW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

235.7
MW (Da)
2.34
ALogP
2
HBA
1
HBD
49.0
PSA (Ų)
0.87
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 C11H10ClN3O
MW 235.67
Aromatic Rings 2
Heavy Atoms 16
NP-Likeness -2.28

Literature References

PubMed DOI Target Context # Activities
26037322 10.1016/j.bmcl.2015.05.004 Polyunsaturated fatty acid lipoxygenase ALOX15 4

Data from ChEMBL 36 via Core Engine