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

CHEMBL395898

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
COc1ccc(Cl)cc1-c1cc(N(C)C)c(C(=O)N=C(N)N)o1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL395898
Phase Preclinical
Structure Type MOL
InChI Key UOZFXXWTYCZGOA-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

336.8
MW (Da)
2.09
ALogP
4
HBA
2
HBD
107.1
PSA (Ų)
0.65
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 C15H17ClN4O3
MW 336.78
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.64

Activity Summary

IC50 1 meas. best 7.92

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Sodium/hydrogen exchanger 1
CHEMBL2781
 IC50 7.92 7.92 12.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Sodium/hydrogen exchanger 1 IC50 = 12.0 nM 7.92 Inhibition of human NHE1 expressed in PS120 cells 17189690

Literature References

PubMed DOI Target Context # Activities
17189690 10.1016/j.bmcl.2006.12.012 Heart 2
17189690 10.1016/j.bmcl.2006.12.012 Sodium/hydrogen exchanger 1 1

Data from ChEMBL 36 via Core Engine