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Compound Detail

CHEMBL1196868

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CSc1ccc2c(cc1=O)[C@@H](N)CCc1cc(O)c(O)c(O)c1-2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1196868
Phase Preclinical
Structure Type MOL
InChI Key BVSWCHKUHPLQQX-NSHDSACASA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

331.4
MW (Da)
2.50
ALogP
6
HBA
4
HBD
103.8
PSA (Ų)
0.47
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H17NO4S
MW 331.39
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness 1.38

Data from ChEMBL 36 via Core Engine