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Compound Detail

CHEMBL2380873

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O=C(OCCCO[N+](=O)[O-])c1onc(-c2ccc(Cl)o2)c1-c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2380873
Phase Preclinical
Structure Type MOL
InChI Key FOOODYSAUYEUSU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

392.8
MW (Da)
4.01
ALogP
8
HBA
0
HBD
117.8
PSA (Ų)
0.24
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H13ClN2O7
MW 392.75
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -0.88

Literature References

PubMed DOI Target Context # Activities
23651359 10.1021/jm301905a Prostaglandin G/H synthase 2 1
23651359 10.1021/jm301905a Prostaglandin G/H synthase 1 1

Data from ChEMBL 36 via Core Engine