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Compound Detail

CHEMBL4793930

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CNC(=O)c1cc([N+](=O)[O-])ccc1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4793930
Phase Preclinical
Structure Type MOL
InChI Key QGEACCYXLCMQFM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

214.6
MW (Da)
1.61
ALogP
3
HBA
1
HBD
72.2
PSA (Ų)
0.60
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C8H7ClN2O3
MW 214.61
Aromatic Rings 1
Heavy Atoms 14
NP-Likeness -2.29

Literature References

PubMed DOI Target Context # Activities
33854703 10.1021/acsmedchemlett.1c00029 Nuclear receptor ROR-gamma 2

Data from ChEMBL 36 via Core Engine