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Compound Detail

CHEMBL1995683

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CCCCN(CCCC)CC(O)c1cc(-c2ccc(Cl)c(Cl)c2)nc2c(Cl)cc(Cl)cc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1995683
Phase Preclinical
Structure Type MOL
InChI Key PGLJCSZNFGDTFZ-UHFFFAOYSA-N
0
Targets
7
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names

Molecular Properties

514.3
MW (Da)
8.45
ALogP
3
HBA
1
HBD
36.4
PSA (Ų)
0.30
QED
2
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H28Cl4N2O
MW 514.32
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -1.15

Activity Summary

IC50 7 meas.

Literature References

PubMed DOI Target Context # Activities
349156 10.1021/jm00202a002 Plasmodium berghei 17
137981 10.1021/jm00212a010 Enterococcus faecium 5
137981 10.1021/jm00212a010 Lacticaseibacillus casei 5
137981 10.1021/jm00212a010 NON-PROTEIN TARGET 4
137981 10.1021/jm00212a010 Escherichia coli 2
137981 10.1021/jm00212a010 Plasmodium berghei 2
372527 10.1021/jm00190a007 Plasmodium berghei 1
137981 10.1021/jm00212a010 Unchecked 1

Data from ChEMBL 36 via Core Engine