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Compound Detail

CHEMBL1422450

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CC1CCc2sc(C(=O)NC(C)C3CCCO3)cc2C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1422450
Phase Preclinical
Structure Type MOL
InChI Key HXSXBZNWZFTCMS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

293.4
MW (Da)
3.17
ALogP
3
HBA
1
HBD
38.3
PSA (Ų)
0.93
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 -1.07

Data from ChEMBL 36 via Core Engine