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Compound Detail

CHEMBL4476856

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

Basic Information

ChEMBL ID CHEMBL4476856
Phase Preclinical
Structure Type MOL
InChI Key PREUWFUZUHOHMJ-INIZCTEOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

440.3
MW (Da)
4.39
ALogP
5
HBA
3
HBD
121.6
PSA (Ų)
0.44
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H19Cl2N3O5
MW 440.28
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -1.33

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