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Compound Detail

CHEMBL137554

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CC(=O)C(Cc1cc(O)c(O)c([N+](=O)[O-])c1)C(C)=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL137554
Phase Preclinical
Structure Type MOL
InChI Key PNLAJNRGHNFIDP-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

267.2
MW (Da)
1.34
ALogP
6
HBA
2
HBD
117.7
PSA (Ų)
0.36
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 C12H13NO6
MW 267.24
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness 0.11

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
- 10.1016/0960-894X(96)00048-0 Unchecked 2

Data from ChEMBL 36 via Core Engine