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Compound Detail

CHEMBL12371

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Cn1c(S)nnc1-c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL12371
Phase Preclinical
Structure Type MOL
InChI Key PCNMGSSTIKGYBC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

319.5
MW (Da)
4.07
ALogP
5
HBA
2
HBD
50.9
PSA (Ų)
0.78
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 C17H25N3OS
MW 319.47
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.89

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