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Compound Detail

CHEMBL113143

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CCCCN1/C(=C/C(=O)O)Sc2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL113143
Phase Preclinical
Structure Type MOL
InChI Key XGDWJASSVARNLA-XFXZXTDPSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

249.3
MW (Da)
3.32
ALogP
3
HBA
1
HBD
40.5
PSA (Ų)
0.83
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 C13H15NO2S
MW 249.34
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness -0.92

Literature References

PubMed DOI Target Context # Activities
12951107 10.1016/s0960-894x(03)00675-9 Peptide deformylase, mitochondrial 1
12951107 10.1016/s0960-894x(03)00675-9 Staphylococcus aureus 1
12951107 10.1016/s0960-894x(03)00675-9 Escherichia coli 1
12951107 10.1016/s0960-894x(03)00675-9 Pseudomonas aeruginosa 1

Data from ChEMBL 36 via Core Engine