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Compound Detail

CHEMBL6032515

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Cc1nccc(NC(=O)c2ccc(C(F)(F)F)cc2C(=O)O)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL6032515
Phase Preclinical
Structure Type MOL
InChI Key SHZGRLMZVIKWGD-UHFFFAOYSA-N
1
Targets
4
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

325.2
MW (Da)
2.75
ALogP
4
HBA
2
HBD
92.2
PSA (Ų)
0.91
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H10F3N3O3
MW 325.25
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -1.54

Activity Summary

IC50 2 meas. best 7.06
Ki 2 meas. best 7.08

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Sortilin
CHEMBL3091
 Ki 7.08 6.81 84.0 2
Sortilin
CHEMBL3091
 IC50 7.06 6.79 88.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Sortilin Ki = 84.0 nM 7.08 hSortilin Affinity Assay: The Sortilin assay was performed in total volume of 40... -
Sortilin IC50 = 88.0 nM 7.06 hSortilin Affinity Assay: The Sortilin assay was performed in total volume of 40... -
Sortilin Ki = 286.0 nM 6.54 hSortilin Affinity Assay: The Sortilin assay was performed in total volume of 40... -
Sortilin IC50 = 300.0 nM 6.52 hSortilin Affinity Assay: The Sortilin assay was performed in total volume of 40... -

Data from ChEMBL 36 via Core Engine