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

CHEMBL5961903

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
Cc1cnc(NC(=O)c2ccc(C(F)(F)F)cc2C(=O)O)nc1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5961903
Phase Preclinical
Structure Type MOL
InChI Key SWTSZQOLTCIAHY-UHFFFAOYSA-N
1
Targets
4
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

339.3
MW (Da)
3.06
ALogP
4
HBA
2
HBD
92.2
PSA (Ų)
0.90
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H12F3N3O3
MW 339.27
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -1.44

Activity Summary

IC50 2 meas. best 6.7
Ki 2 meas. best 6.72

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Sortilin
CHEMBL3091
 Ki 6.72 6.33 190.0 2
Sortilin
CHEMBL3091
 IC50 6.7 6.31 200.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Sortilin Ki = 190.0 nM 6.72 hSortilin Affinity Assay: The Sortilin assay was performed in total volume of 40... -
Sortilin IC50 = 200.0 nM 6.7 hSortilin Affinity Assay: The Sortilin assay was performed in total volume of 40... -
Sortilin Ki = 1144.0 nM 5.94 hSortilin Affinity Assay: The Sortilin assay was performed in total volume of 40... -
Sortilin IC50 = 1200.0 nM 5.92 hSortilin Affinity Assay: The Sortilin assay was performed in total volume of 40... -

Data from ChEMBL 36 via Core Engine