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

CHEMBL5406620

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
NCCCCNCCCNC(=O)c1csc(-c2csc(CCNS(=O)(=O)c3c[nH]cn3)n2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5406620
Phase Preclinical
Structure Type MOL
InChI Key HPTMYZHHRAIBRY-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

512.7
MW (Da)
0.96
ALogP
10
HBA
5
HBD
167.8
PSA (Ų)
0.19
QED
1
Ro5 Violations
15
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H28N8O3S3
MW 512.69
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -1.40

Activity Summary

IC50 1 meas. best 4.69

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
microRNA 21
CHEMBL1615322
 IC50 4.69 4.69 20300.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
microRNA 21 IC50 = 20300.0 nM 4.69 Inhibition of pre-miR-21 (unknown origin) dicer cleavage activity preincubated f... 37449818

Literature References

PubMed DOI Target Context # Activities
37449818 10.1021/acs.jmedchem.3c00797 microRNA 21 1

Data from ChEMBL 36 via Core Engine