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Compound Detail

CHEMBL186440

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COC1Sc2ccccc2S1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL186440
Phase Preclinical
Structure Type MOL
InChI Key KPDMNMPVXNLAMZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

184.3
MW (Da)
2.81
ALogP
3
HBA
0
HBD
9.2
PSA (Ų)
0.66
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 C8H8OS2
MW 184.28
Aromatic Rings 1
Heavy Atoms 11
NP-Likeness -0.28

Literature References

PubMed DOI Target Context # Activities
15456271 10.1021/jm049677d ADMET 2

Data from ChEMBL 36 via Core Engine