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

CHEMBL483938

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
Cn1cc(S(=O)(=O)N2CC(CNC(=O)c3ccc(Cl)cc3Cl)(c3ncccc3F)C2)nn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL483938
Phase Preclinical
Structure Type MOL
InChI Key WAXBCNOZDSBPAE-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

499.4
MW (Da)
2.03
ALogP
7
HBA
1
HBD
110.1
PSA (Ų)
0.56
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H17Cl2FN6O3S
MW 499.36
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -1.78

Activity Summary

IC50 1 meas. best 9.51

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Sodium- and chloride-dependent glycine transporter 1
CHEMBL2337
 IC50 9.51 9.51 0.3 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Sodium- and chloride-dependent glycine transporter 1 IC50 = 0.31 nM 9.51 Inhibition of [3H]glycine uptake at human glycine transporter 1 expressed in hum... 19318248

Literature References

PubMed DOI Target Context # Activities
19318248 10.1016/j.bmcl.2009.02.102 Liver microsomes 2
19318248 10.1016/j.bmcl.2009.02.102 Sodium- and chloride-dependent glycine transporter 1 1
19318248 10.1016/j.bmcl.2009.02.102 ADMET 1

Data from ChEMBL 36 via Core Engine