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

CHEMBL4170149

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=C(/C=C/c1cccnc1Br)c1ccccc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4170149
Phase Preclinical
Structure Type MOL
InChI Key UJSLZNJJBLGWJR-BQYQJAHWSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

304.1
MW (Da)
3.45
ALogP
3
HBA
1
HBD
50.2
PSA (Ų)
0.54
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 C14H10BrNO2
MW 304.14
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -0.20

Activity Summary

IC50 2 meas. best 4.58

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
TK-10
CHEMBL614056
 IC50 4.58 4.58 26000.0 1
Unchecked
CHEMBL612545
 IC50 4.41 4.41 39000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
TK-10 IC50 = 26000.0 nM 4.58 Cytotoxicity against human TK10 cells assessed as cell survival after 24 hrs by ... -
Unchecked IC50 = 39000.0 nM 4.41 Cytotoxicity against wild type mouse Hepa1c1c7 cells after 48 hrs by SRB assay -

Literature References

PubMed DOI Target Context # Activities
- 10.1039/C6MD00456C Rattus norvegicus 11
- 10.1039/C6MD00456C Nuclear factor erythroid 2-related factor 2 7
- 10.1039/C6MD00456C Unchecked 4
- 10.1039/C6MD00456C MCF7 1
- 10.1039/C6MD00456C TK-10 1
- 10.1039/C6MD00456C HK-2 1
- 10.1039/C6MD00456C Salmonella typhimurium 1

Data from ChEMBL 36 via Core Engine