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Compound Detail

CHEMBL458163

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O=C(O)c1cc(NC(=O)c2ccccc2[N+](=O)[O-])ccc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL458163
Phase Preclinical
Structure Type MOL
InChI Key RLQGEGVLRIQLSR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

302.2
MW (Da)
2.25
ALogP
5
HBA
3
HBD
129.8
PSA (Ų)
0.45
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 C14H10N2O6
MW 302.24
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -1.33

Literature References

PubMed DOI Target Context # Activities
19185501 10.1016/j.bmc.2009.01.004 Unchecked 1
19185501 10.1016/j.bmc.2009.01.004 Beta-ketoacyl-[acyl-carrier-protein] synthase III 1

Data from ChEMBL 36 via Core Engine