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

CHEMBL201467

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
O=C1NC(=S)S/C1=C\c1ccc(Cl)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL201467
Phase Preclinical
Structure Type MOL
InChI Key HIWUQEXWRIIIKB-YVMONPNESA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
17
Publications
0
Known Names

Molecular Properties

255.8
MW (Da)
2.83
ALogP
3
HBA
1
HBD
29.1
PSA (Ų)
0.62
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H6ClNOS2
MW 255.75
Aromatic Rings 1
Heavy Atoms 15
NP-Likeness -1.88

Activity Summary

IC50 3 meas. best 5.39

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
c-Myc/c-Max
CHEMBL4106127
 IC50 5.39 5.39 4100.0 1
Arylamine N-acetyltransferase 1
CHEMBL5101
 IC50 5.33 5.33 4700.0 1
Unchecked
CHEMBL612545
 IC50 4.39 4.39 41000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
c-Myc/c-Max IC50 = 4100.0 nM 5.39 Inhibition of c-Myc/Max interaction in human HL60 cells assessed as cell growth ... -
Arylamine N-acetyltransferase 1 IC50 = 4700.0 nM 5.33 Inhibition of human recombinant NAT1 assessed as hydrolysis of acetyl coA using ... 19059786
Unchecked IC50 = 41000.0 nM 4.39 Inhibition of 6-His tagged recombinant c-Myc353-437 gene binding to Max(S) prote... 19215087

Literature References

PubMed DOI Target Context # Activities
25462237 10.1016/j.ejmech.2014.10.042 NON-PROTEIN TARGET 2
17049255 10.1016/j.bmc.2006.09.038 Trichophyton rubrum 1
25462237 10.1016/j.ejmech.2014.10.042 Vero 1
20185317 10.1016/j.bmc.2010.02.001 LL-diaminopimelate aminotransferase, chloroplastic 1
19215087 10.1021/jm801278g Unchecked 1
19059786 10.1016/j.bmc.2008.11.032 Arylamine N-acetyltransferase 1
19059786 10.1016/j.bmc.2008.11.032 Unchecked 1
19059786 10.1016/j.bmc.2008.11.032 Arylamine N-acetyltransferase 1 1
17049255 10.1016/j.bmc.2006.09.038 Trichophyton benhamiae 1
16451069 10.1021/jm050859x RNA-directed RNA polymerase 1
17049255 10.1016/j.bmc.2006.09.038 Nannizzia gypsea 1
17049255 10.1016/j.bmc.2006.09.038 Aspergillus flavus 1
17049255 10.1016/j.bmc.2006.09.038 Aspergillus fumigatus 1
17049255 10.1016/j.bmc.2006.09.038 Aspergillus niger 1
17049255 10.1016/j.bmc.2006.09.038 Cryptococcus neoformans 1
17049255 10.1016/j.bmc.2006.09.038 Saccharomyces cerevisiae 1
17049255 10.1016/j.bmc.2006.09.038 Candida albicans 1

Data from ChEMBL 36 via Core Engine