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Compound Detail

CHEMBL1184886

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C[N+]1(C)CCC[C@H]1[C@H]1CS[C@](c2ccccc2)(C2CCCCC2)O1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1184886
Phase Preclinical
Structure Type MOL
InChI Key WCMVSMOIDILBOJ-PWRODBHTSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

346.6
MW (Da)
4.79
ALogP
2
HBA
0
HBD
9.2
PSA (Ų)
0.73
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H32NOS+
MW 346.56
Aromatic Rings 1
Heavy Atoms 24
NP-Likeness 0.79

Data from ChEMBL 36 via Core Engine