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Compound Detail

CHEMBL1178838

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

Basic Information

ChEMBL ID CHEMBL1178838
Phase Preclinical
Structure Type MOL
InChI Key NCPVINAZNPBCKE-RTBURBONSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

320.5
MW (Da)
4.26
ALogP
2
HBA
0
HBD
9.2
PSA (Ų)
0.77
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H30NOS+
MW 320.52
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness 0.44

Data from ChEMBL 36 via Core Engine