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Compound Detail

CHEMBL3039716

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S=C(S)OCC12CC3CC(CC(C3)C1)C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3039716
Phase Preclinical
Structure Type MOL
InChI Key CACHNTLZFLGBJI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

242.4
MW (Da)
3.43
ALogP
2
HBA
1
HBD
9.2
PSA (Ų)
0.59
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H18OS2
MW 242.41
Aromatic Rings 0
Heavy Atoms 15
NP-Likeness -0.10

Data from ChEMBL 36 via Core Engine