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Compound Detail

CHEMBL202533

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Cc1cc(CSc2ccccc2)ccc1NC(=O)c1ccccc1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL202533
Phase Preclinical
Structure Type MOL
InChI Key RXOKJNKRWPVGOC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

367.9
MW (Da)
6.19
ALogP
2
HBA
1
HBD
29.1
PSA (Ų)
0.54
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H18ClNOS
MW 367.90
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -2.00

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