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Compound Detail

CHEMBL1483654

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Cc1cc(C)nc(S/C=C/C(=O)c2ccc(F)cc2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1483654
Phase Preclinical
Structure Type MOL
InChI Key IIDUVXPAMLZRAI-BQYQJAHWSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

288.4
MW (Da)
3.72
ALogP
4
HBA
0
HBD
42.9
PSA (Ų)
0.37
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 C15H13FN2OS
MW 288.35
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -1.16

Activity Summary

EC50 1 meas. best 6.09

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
E3 ubiquitin-protein ligase Mdm2
CHEMBL5023
 EC50 6.09 6.09 810.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
E3 ubiquitin-protein ligase Mdm2 EC50 = 810.0 nM 6.09 PUBCHEM_BIOASSAY: E3 Ligase dose-response_384. (Class of assay: confirmatory) [R... -

Data from ChEMBL 36 via Core Engine