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

CHEMBL1824668

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
CCCc1cc(-c2nc(-c3ccc(N)cc3)cs2)ccn1

Basic Information

ChEMBL ID CHEMBL1824668
Phase Preclinical
Structure Type MOL
InChI Key QKFIOIFLEOWEFH-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

295.4
MW (Da)
4.41
ALogP
4
HBA
1
HBD
51.8
PSA (Ų)
0.73
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H17N3S
MW 295.41
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -1.48

Activity Summary

IC50 1 meas. best 5.07

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Sterol regulatory element-binding protein 2
CHEMBL1795166
IC50 5.07 5.07 8600.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
21561152 10.1021/jm200304y Sterol regulatory element-binding protein 2 1

Data from ChEMBL 36 via Core Engine