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

CHEMBL1573799

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
CCCN1/C(=C2/SC(=S)N(CC)C2=O)C=Cc2ccccc21

Basic Information

ChEMBL ID CHEMBL1573799
Phase Preclinical
Structure Type MOL
InChI Key JFCBOYPTHCVHSN-CCEZHUSRSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

330.5
MW (Da)
4.02
ALogP
4
HBA
0
HBD
23.6
PSA (Ų)
0.62
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H18N2OS2
MW 330.48
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness -1.19

Activity Summary

IC50 1 meas. best 4.51

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Matrix metalloproteinase-14
CHEMBL3869
IC50 4.51 4.51 30600.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Matrix metalloproteinase-14 IC50 = 30600.0 nM 4.51 PubChem BioAssay. Dose Response confirmation of uHTS hits for a small molecule i... -

Data from ChEMBL 36 via Core Engine