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Compound Detail

CHEMBL2172717

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

Basic Information

ChEMBL ID CHEMBL2172717
Phase Preclinical
Structure Type MOL
InChI Key HPMDZXFWFSCFSH-LICLKQGHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
8
Publications
0
Known Names

Molecular Properties

300.3
MW (Da)
2.17
ALogP
5
HBA
2
HBD
80.2
PSA (Ų)
0.65
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 C16H16N2O4
MW 300.31
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.98

Literature References

PubMed DOI Target Context # Activities
- 10.1007/s00044-010-9543-7 Aspergillus niger 3
- 10.1007/s00044-010-9543-7 Candida albicans 3
- 10.1007/s00044-010-9543-7 Escherichia coli 3
- 10.1007/s00044-010-9543-7 Bacillus subtilis 3
- 10.1007/s00044-010-9543-7 Staphylococcus aureus 3
22891752 10.1021/jm300514y Unchecked 2
31000406 10.1016/j.bmc.2019.04.016 Tyrosinase 2
31000406 10.1016/j.bmc.2019.04.016 No relevant target 1

Data from ChEMBL 36 via Core Engine