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

CHEMBL2377204

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
COc1ccc(C)nc1NS(=O)(=O)c1ccc(-c2ccc(C#N)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2377204
Phase Preclinical
Structure Type MOL
InChI Key CRHLETHKBQEMTI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

379.4
MW (Da)
3.74
ALogP
5
HBA
1
HBD
92.1
PSA (Ų)
0.73
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 C20H17N3O3S
MW 379.44
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.38

Literature References

PubMed DOI Target Context # Activities
23489629 10.1016/j.bmcl.2013.02.066 Liver microsomes 1
23489629 10.1016/j.bmcl.2013.02.066 11-beta-hydroxysteroid dehydrogenase 1 1

Data from ChEMBL 36 via Core Engine