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Compound Detail

CHEMBL3235576

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COC(=O)[C@@H]1CCCc2c1[nH]c1ccc(Cl)cc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3235576
Phase Preclinical
Structure Type MOL
InChI Key BDJYSXMSWWLFRV-SNVBAGLBSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

263.7
MW (Da)
3.41
ALogP
2
HBA
1
HBD
42.1
PSA (Ų)
0.80
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 C14H14ClNO2
MW 263.72
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -0.24

Literature References

PubMed DOI Target Context # Activities
24592885 10.1021/jm500122r Escherichia coli 1
24592885 10.1021/jm500122r Acinetobacter baylyi 1
24592885 10.1021/jm500122r Bacillus subtilis 1
24592885 10.1021/jm500122r Staphylococcus aureus 1
24592885 10.1021/jm500122r Unchecked 1

Data from ChEMBL 36 via Core Engine