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Compound Detail

CHEMBL149072

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CCc1c(SCc2ccc(C(C)(C)C)cc2)oc2ccccc2c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL149072
Phase Preclinical
Structure Type MOL
InChI Key JVKLCBAOTUKZNE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

352.5
MW (Da)
5.95
ALogP
3
HBA
0
HBD
30.2
PSA (Ų)
0.54
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H24O2S
MW 352.50
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.70

Literature References

PubMed DOI Target Context # Activities
14698192 10.1016/j.bmcl.2003.10.022 Unchecked 1
14698192 10.1016/j.bmcl.2003.10.022 Tetranychus urticae 1

Data from ChEMBL 36 via Core Engine