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

CHEMBL1391713

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
Cc1cc(NC(=O)CSc2nc3ccccc3[nH]2)no1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1391713
Phase Preclinical
Structure Type MOL
InChI Key ALVRSIIVBMUCBC-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names

Molecular Properties

288.3
MW (Da)
2.59
ALogP
5
HBA
2
HBD
83.8
PSA (Ų)
0.72
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 C13H12N4O2S
MW 288.33
Aromatic Rings 3
Heavy Atoms 20
NP-Likeness -3.00

Activity Summary

IC50 2 meas. best 7.05

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
HT-29
CHEMBL384
 IC50 7.05 7.05 90.0 1
C6
CHEMBL614657
 IC50 7.0 7.0 100.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
HT-29 IC50 = 90.0 nM 7.05 Cytotoxicity against Homo sapiens (human) HT-29 cells assessed as cell viability... -
C6 IC50 = 100.0 nM 7.0 Cytotoxicity against Rattus norvegicus (rat) C6 cells assessed as cell viability... -

Literature References

PubMed DOI Target Context # Activities
- 10.1007/s00044-012-0021-2 Unchecked 7
- 10.1007/s00044-012-0021-2 Candida albicans 1
- 10.1007/s00044-012-0021-2 Pseudomonas aeruginosa 1
- 10.1007/s00044-012-0021-2 Escherichia coli 1
- 10.1007/s00044-012-0021-2 Enterococcus faecalis 1
- 10.1007/s00044-012-0021-2 Staphylococcus aureus 1
- 10.1007/s00044-012-0021-2 C6 1
- 10.1007/s00044-012-0021-2 HT-29 1

Data from ChEMBL 36 via Core Engine