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Compound Detail

CHEMBL3746018

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COc1ccc2c(c1)c(CCN)cn2Cc1ccc(Cl)c(Cl)c1.Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3746018
Phase Preclinical
Structure Type MOL
InChI Key DXFIOLDGVKYZOI-UHFFFAOYSA-N
Parent Compound CHEMBL3747959
Active Moiety CHEMBL3747959
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

349.3
MW (Da)
4.51
ALogP
3
HBA
1
HBD
40.2
PSA (Ų)
0.74
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H19Cl3N2O
MW 385.72
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -1.19

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
26588190 10.1021/acs.jmedchem.5b01482 Unchecked 2
26588190 10.1021/acs.jmedchem.5b01482 Staphylococcus aureus 2
26588190 10.1021/acs.jmedchem.5b01482 HEK293 1
26588190 10.1021/acs.jmedchem.5b01482 Enterococcus faecium 1
26588190 10.1021/acs.jmedchem.5b01482 Escherichia coli 1

Data from ChEMBL 36 via Core Engine