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Compound Detail

CHEMBL4565624

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C[C@H](NC(=O)c1cc(Cl)ccc1O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4565624
Phase Preclinical
Structure Type MOL
InChI Key GTINPCIWMWHHHL-QMMMGPOBSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

398.2
MW (Da)
3.36
ALogP
5
HBA
3
HBD
121.6
PSA (Ų)
0.53
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H13Cl2N3O5
MW 398.20
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -1.66

Activity Summary

IC50 1 meas. best 5.42

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Human adenovirus 5
CHEMBL612237
 IC50 5.42 5.42 3850.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Human adenovirus 5 IC50 = 3850.0 nM 5.42 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