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Compound Detail

CHEMBL1818130

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CCN(CC)Cc1cc(Nc2c3ccc(Cl)cc3nc3ccc(OC)cc23)ccc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1818130
Phase Preclinical
Structure Type MOL
InChI Key GICKTUQFXCPPNY-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

436.0
MW (Da)
6.34
ALogP
5
HBA
2
HBD
57.6
PSA (Ų)
0.26
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H26ClN3O2
MW 435.96
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -0.93

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
21831641 10.1016/j.bmc.2011.07.020 Unchecked 2
21831641 10.1016/j.bmc.2011.07.020 Escherichia coli 2
21831641 10.1016/j.bmc.2011.07.020 Staphylococcus aureus 2

Data from ChEMBL 36 via Core Engine