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Compound Detail

CHEMBL4645118

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COc1ccc(C(ONC(=O)CCCCCCC(=O)Nc2ccccc2)(c2ccccc2)c2ccc(OC)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4645118
Phase Preclinical
Structure Type MOL
InChI Key QKKNOHCSVDRLFA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

566.7
MW (Da)
7.02
ALogP
5
HBA
2
HBD
85.9
PSA (Ų)
0.09
QED
2
Ro5 Violations
15
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C35H38N2O5
MW 566.70
Aromatic Rings 4
Heavy Atoms 42
NP-Likeness -0.49

Literature References

PubMed DOI Target Context # Activities
32392053 10.1021/acs.jmedchem.9b02016 Leishmania infantum 1
32392053 10.1021/acs.jmedchem.9b02016 L929 1
32392053 10.1021/acs.jmedchem.9b02016 BMDM 1

Data from ChEMBL 36 via Core Engine