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

CHEMBL193311

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
N=C(N)NC(=O)c1ccc(-c2cc(Cl)cc(Cl)c2)o1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL193311
Phase Preclinical
Structure Type MOL
InChI Key ZXZPWLDMFGBVNP-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

298.1
MW (Da)
2.88
ALogP
3
HBA
3
HBD
92.1
PSA (Ų)
0.59
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H9Cl2N3O2
MW 298.13
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -1.10

Activity Summary

IC50 1 meas. best 6.14

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Sodium/hydrogen exchanger 1
CHEMBL2781
 IC50 6.14 6.14 730.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Sodium/hydrogen exchanger 1 IC50 = 730.0 nM 6.14 Inhibitory activity against Na+/H+ exchanger 1 (NHE-1) expressed in PS120 cells 15828827

Literature References

PubMed DOI Target Context # Activities
15828827 10.1021/jm0492305 Rattus norvegicus 2
15828827 10.1021/jm0492305 Sodium/hydrogen exchanger 1 1

Data from ChEMBL 36 via Core Engine