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Compound Detail

CHEMBL1089855

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O=C(c1cccs1)C1CCN([C@@H]2CCCC[C@H]2O)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1089855
Phase Preclinical
Structure Type MOL
InChI Key QAYXQIGTJWPFBG-ZIAGYGMSSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

293.4
MW (Da)
2.95
ALogP
4
HBA
1
HBD
40.5
PSA (Ų)
0.87
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 C16H23NO2S
MW 293.43
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness -0.54

Data from ChEMBL 36 via Core Engine