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Compound Detail

CHEMBL1321494

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COc1ccc(S(=O)(=O)NN(C)c2ncc(C(F)(F)F)cc2Cl)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1321494
Phase Preclinical
Structure Type MOL
InChI Key IKHPFBACYMOZSP-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

395.8
MW (Da)
3.09
ALogP
5
HBA
1
HBD
71.5
PSA (Ų)
0.79
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H13ClF3N3O3S
MW 395.79
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -1.52

Activity Summary

EC50 1 meas. best 6.42

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
E3 ubiquitin-protein ligase Mdm2
CHEMBL5023
 EC50 6.42 6.42 380.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
E3 ubiquitin-protein ligase Mdm2 EC50 = 380.0 nM 6.42 PUBCHEM_BIOASSAY: E3 Ligase dose-response_384. (Class of assay: confirmatory) [R... -

Data from ChEMBL 36 via Core Engine