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

CHEMBL3115420

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
CC1(C)CC(=O)c2c(nc3ccc(Cl)cc3c2-c2ccccc2)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3115420
Phase Preclinical
Structure Type MOL
InChI Key QSSVASUDWSXNEV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

335.8
MW (Da)
5.71
ALogP
2
HBA
0
HBD
30.0
PSA (Ų)
0.57
QED
1
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H18ClNO
MW 335.83
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -0.56

Literature References

PubMed DOI Target Context # Activities
24412719 10.1016/j.ejmech.2013.12.013 Mycobacterium tuberculosis 2

Data from ChEMBL 36 via Core Engine