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Compound Detail

CHEMBL1180578

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Cc1ccc(CNCC2CCc3ccc(NS(C)(=O)=O)cc3O2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1180578
Phase Preclinical
Structure Type MOL
InChI Key DPKPCJJKKOEQBE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

360.5
MW (Da)
2.85
ALogP
4
HBA
2
HBD
67.4
PSA (Ų)
0.83
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H24N2O3S
MW 360.48
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.87

Data from ChEMBL 36 via Core Engine