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Compound Detail

CHEMBL1387704

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Cc1cc(C)nc(S/C=C/C(=O)c2ccccc2)n1

Basic Information

ChEMBL ID CHEMBL1387704
Phase Preclinical
Structure Type MOL
InChI Key MKKFBMMVSZMAGN-CMDGGOBGSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

270.4
MW (Da)
3.58
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 C15H14N2OS
MW 270.36
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -0.80

Activity Summary

EC50 2 meas. best 5.88

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
E3 ubiquitin-protein ligase Mdm2
CHEMBL5023
EC50 5.88 5.88 1320.0 1
Unchecked
CHEMBL612545
EC50 5.17 5.17 6720.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine