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Compound Detail

CHEMBL541778

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COc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2)cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL541778
Phase Preclinical
Structure Type MOL
InChI Key VVPBSRDHRXJQAO-VCHYOVAHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

318.8
MW (Da)
3.12
ALogP
4
HBA
1
HBD
59.9
PSA (Ų)
0.68
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H15ClN2O3
MW 318.76
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -1.45

Literature References

PubMed DOI Target Context # Activities
22891752 10.1021/jm300514y Unchecked 2
19081655 10.1016/j.ejmech.2008.10.034 Staphylococcus aureus 1
19081655 10.1016/j.ejmech.2008.10.034 Bacillus subtilis 1
19081655 10.1016/j.ejmech.2008.10.034 Escherichia coli 1
19081655 10.1016/j.ejmech.2008.10.034 Candida albicans 1
19081655 10.1016/j.ejmech.2008.10.034 Aspergillus niger 1
19081655 10.1016/j.ejmech.2008.10.034 No relevant target 1

Data from ChEMBL 36 via Core Engine