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Compound Detail

CHEMBL4173759

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COc1cc(/C=C/C(=O)c2ccc(Cl)cc2)ccc1[N+](=O)[O-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4173759
Phase Preclinical
Structure Type MOL
InChI Key WGMXXJDJGHYCCA-YCRREMRBSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

317.7
MW (Da)
4.15
ALogP
4
HBA
0
HBD
69.4
PSA (Ų)
0.36
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H12ClNO4
MW 317.73
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.80

Literature References

PubMed DOI Target Context # Activities
30106292 10.1021/acs.jmedchem.8b00657 Stromal cell-derived factor 1 1
30106292 10.1021/acs.jmedchem.8b00657 No relevant target 1

Data from ChEMBL 36 via Core Engine