Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL602859

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
CCCCCCCCCNC(=O)Oc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)c(Cl)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL602859
Phase Preclinical
Structure Type MOL
InChI Key WYDSHIVHCUHMRR-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
2
PK Parameters
7
Publications
0
Known Names

Molecular Properties

485.8
MW (Da)
7.74
ALogP
3
HBA
2
HBD
67.4
PSA (Ų)
0.32
QED
1
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H27Cl3N2O3
MW 485.84
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness -1.23

Activity Summary

IC50 1 meas.

Pharmacokinetic Data

Parameter Value Units Species
T1/2 43.0 hr -
T1/2 64.0 hr -

Literature References

PubMed DOI Target Context # Activities
20060303 10.1016/j.bmc.2009.12.055 Mycobacterium kansasii 4
20060303 10.1016/j.bmc.2009.12.055 Mycobacterium tuberculosis 2
20060303 10.1016/j.bmc.2009.12.055 Mycobacterium avium 2
21724391 10.1016/j.bmcl.2011.05.118 ADMET 2
21724391 10.1016/j.bmcl.2011.05.118 No relevant target 2
20060303 10.1016/j.bmc.2009.12.055 No relevant target 1
21724391 10.1016/j.bmcl.2011.05.118 Photosystem II protein D1 1

Data from ChEMBL 36 via Core Engine