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Compound Detail

CHEMBL1350093

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COC(=O)c1cc(C(=O)CSc2nc(C)cc(C)n2)ccc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1350093
Phase Preclinical
Structure Type MOL
InChI Key OPXMZNSFIUHMNP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

332.4
MW (Da)
2.56
ALogP
7
HBA
1
HBD
89.4
PSA (Ų)
0.39
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 C16H16N2O4S
MW 332.38
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -1.09

Literature References

PubMed DOI Target Context # Activities
25581017 10.1021/jm5018187 Krueppel-like factor 10 2

Data from ChEMBL 36 via Core Engine