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Compound Detail

CHEMBL5169397

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O=[N+]([O-])c1ccc2nc(Cl)c(Cl)nc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5169397
Phase Preclinical
Structure Type MOL
InChI Key SFJCUOAQTGDBPO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

244.0
MW (Da)
2.84
ALogP
4
HBA
0
HBD
68.9
PSA (Ų)
0.57
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C8H3Cl2N3O2
MW 244.04
Aromatic Rings 2
Heavy Atoms 15
NP-Likeness -1.61

Literature References

PubMed DOI Target Context # Activities
34536671 10.1016/j.ejmech.2021.113823 Schistosoma mansoni 3
34536671 10.1016/j.ejmech.2021.113823 HepG2 2
34536671 10.1016/j.ejmech.2021.113823 ADMET 2

Data from ChEMBL 36 via Core Engine