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Compound Detail

CHEMBL5179670

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O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5179670
Phase Preclinical
Structure Type MOL
InChI Key BCTFYSXVHAFEGT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

276.7
MW (Da)
3.50
ALogP
3
HBA
1
HBD
72.2
PSA (Ų)
0.69
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H9ClN2O3
MW 276.68
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -1.99

Literature References

PubMed DOI Target Context # Activities
35398731 10.1016/j.ejmech.2022.114318 Pseudomonas aeruginosa 3
35344901 10.1016/j.ejmech.2022.114295 Vero C1008 1
35344901 10.1016/j.ejmech.2022.114295 ADMET 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
37804994 10.1016/j.bmcl.2023.129498 SH-SY5Y 1

Data from ChEMBL 36 via Core Engine