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

CHEMBL111670

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(C2Sc3ccccc3N(CCN(C)C)C(=O)C2O)cc1

Basic Information

ChEMBL ID CHEMBL111670
Phase Preclinical
Structure Type MOL
InChI Key NZHUXMZTSSZXSB-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

372.5
MW (Da)
2.80
ALogP
5
HBA
1
HBD
53.0
PSA (Ų)
0.87
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C20H24N2O3S
MW 372.49
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.55

Activity Summary

IC50 1 meas. best 5.61

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cricetinae gen. sp.
CHEMBL612361
IC50 5.61 5.61 2460.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Cricetinae gen. sp. IC50 = 2460.0 nM 5.61 Concentration (10 e-6 M) required to block [Ca2+]-induced contraction of K+-depo... 1507210

Literature References

PubMed DOI Target Context # Activities
1507210 10.1021/jm00095a022 Cricetinae gen. sp. 1

Data from ChEMBL 36 via Core Engine