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Compound Detail

CHEMBL4515432

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O=C(NCc1ccc([N+](=O)[O-])cc1Cl)c1cc(Cl)ccc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4515432
Phase Preclinical
Structure Type MOL
InChI Key NEVYGLZPYNCIPU-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

341.1
MW (Da)
3.54
ALogP
4
HBA
2
HBD
92.5
PSA (Ų)
0.66
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H10Cl2N2O4
MW 341.15
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -1.75

Activity Summary

IC50 1 meas. best 5.85

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Human adenovirus 5
CHEMBL612237
 IC50 5.85 5.85 1400.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Human adenovirus 5 IC50 = 1400.0 nM 5.85 Antiviral activity against Human adenovirus 5 infected in 293beta5 cells assesse... 32045239

Literature References

PubMed DOI Target Context # Activities
32045239 10.1021/acs.jmedchem.9b01950 Human adenovirus 5 2
32045239 10.1021/acs.jmedchem.9b01950 A549 1
32045239 10.1021/acs.jmedchem.9b01950 Unchecked 1

Data from ChEMBL 36 via Core Engine