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

CHEMBL393048

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
Cc1c(NS(=O)(=O)N2CC[C@@H](O)[C@H]2C(=O)O)ccc(C#N)c1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL393048
Phase Preclinical
Structure Type MOL
InChI Key NKZVQILFXGAMOQ-PWSUYJOCSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

359.8
MW (Da)
0.70
ALogP
5
HBA
3
HBD
130.7
PSA (Ų)
0.72
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 C13H14ClN3O5S
MW 359.79
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness -0.80

Activity Summary

EC50 1 meas. best 8.55

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Androgen receptor
CHEMBL3056
 EC50 8.55 8.55 2.8 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Androgen receptor EC50 = 2.8 nM 8.55 Agonist activity at androgen receptor in mouse C2C12 cells by receptor transacti... 17574413

Literature References

PubMed DOI Target Context # Activities
17574413 10.1016/j.bmcl.2007.06.007 Androgen receptor 2

Data from ChEMBL 36 via Core Engine