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

CHEMBL1728581

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
Cc1ccc(Nc2ccc(-c3ccncc3)s2)c(Br)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1728581
Phase Preclinical
Structure Type MOL
InChI Key ZKFQAAFZJRVIBR-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

345.3
MW (Da)
5.62
ALogP
3
HBA
1
HBD
24.9
PSA (Ų)
0.67
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H13BrN2S
MW 345.27
Aromatic Rings 3
Heavy Atoms 20
NP-Likeness -1.44

Activity Summary

EC50 1 meas. best 5.41

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 EC50 5.41 5.41 3922.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked EC50 = 3922.0 nM 5.41 PUBCHEM_BIOASSAY: Luminescence Cell Based Dose Confirmation HTS to Identify Acti... -

Data from ChEMBL 36 via Core Engine