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Compound Detail

CHEMBL1594682

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O=C(Cn1ccc(=O)[nH]c1=O)Nc1ccc(C(=O)O)c(O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1594682
Phase Preclinical
Structure Type MOL
InChI Key CSMIMYLGRREXAC-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names

Molecular Properties

305.2
MW (Da)
-0.42
ALogP
6
HBA
4
HBD
141.5
PSA (Ų)
0.60
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 C13H11N3O6
MW 305.25
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -1.14

Activity Summary

Kd 1 meas.

Literature References

PubMed DOI Target Context # Activities
28739043 10.1016/j.bmcl.2017.07.035 Myocilin 2
- 10.6019/CHEMBL4296182 Escherichia coli 1
- 10.6019/CHEMBL4296182 Klebsiella pneumoniae 1
- 10.6019/CHEMBL4296182 Pseudomonas aeruginosa 1
- 10.6019/CHEMBL4296182 Candida albicans 1
- 10.6019/CHEMBL4296182 Staphylococcus aureus 1
- 10.6019/CHEMBL4296182 Acinetobacter baumannii 1
- 10.6019/CHEMBL4296182 Cryptococcus neoformans 1

Data from ChEMBL 36 via Core Engine