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Compound Detail

CHEMBL2348120

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O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cccc(Cl)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2348120
Phase Preclinical
Structure Type MOL
InChI Key BLKPJGYOCAITEI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

311.1
MW (Da)
4.15
ALogP
3
HBA
1
HBD
72.2
PSA (Ų)
0.68
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H8Cl2N2O3
MW 311.12
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -2.24

Literature References

PubMed DOI Target Context # Activities
35398731 10.1016/j.ejmech.2022.114318 Pseudomonas aeruginosa 3
23453073 10.1016/j.bmcl.2013.01.101 Molecular identity unknown 1
23453073 10.1016/j.bmcl.2013.01.101 Frizzled-1 1
36565533 10.1016/j.ejmech.2022.114996 Leishmania donovani 1
36565533 10.1016/j.ejmech.2022.114996 J774.A1 1
36565533 10.1016/j.ejmech.2022.114996 Vero 1

Data from ChEMBL 36 via Core Engine