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

CHEMBL1966883

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=C1Nc2ccc(Br)cc2/C1=C1/Nc2ccc(Br)cc2C1=O

Basic Information

ChEMBL ID CHEMBL1966883
Phase Preclinical
Structure Type MOL
InChI Key JNKVMKJVDXSLEG-YPKPFQOOSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

420.1
MW (Da)
4.18
ALogP
3
HBA
2
HBD
58.2
PSA (Ų)
0.63
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H8Br2N2O2
MW 420.06
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness 0.15

Activity Summary

EC50 1 meas. best 4.67

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
HT-22
CHEMBL614316
EC50 4.67 4.67 21300.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
HT-22 EC50 = 21300.0 nM 4.67 Cytoprotective activity against tunicamycin-induced cell death in mouse HT22 cel... 29122482

Literature References

PubMed DOI Target Context # Activities
29122482 10.1016/j.bmcl.2017.10.069 HT-22 7
28743492 10.1016/j.bmc.2017.07.009 HepG2 1

Data from ChEMBL 36 via Core Engine