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Compound Detail

CHEMBL273956

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CC(C)(C)c1cc(-c2nnc(S)n2N)cc(C(C)(C)C)c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL273956
Phase Preclinical
Structure Type MOL
InChI Key GQGWDAKKWQKABA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

320.5
MW (Da)
3.25
ALogP
6
HBA
3
HBD
77.0
PSA (Ų)
0.56
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H24N4OS
MW 320.46
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.94

Literature References

PubMed DOI Target Context # Activities
8478906 10.1021/jm00060a017 No relevant target 1
8478906 10.1021/jm00060a017 ADMET 1
8478906 10.1021/jm00060a017 Polyunsaturated fatty acid 5-lipoxygenase 1
8478906 10.1021/jm00060a017 Cyclooxygenase 1

Data from ChEMBL 36 via Core Engine