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Compound Detail

CHEMBL1393655

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Cc1ccc(C(=O)NN2C(=O)/C(=C/c3cccn3C)SC2=S)cc1

Basic Information

ChEMBL ID CHEMBL1393655
Phase Preclinical
Structure Type MOL
InChI Key CAPJZBRXIXDIIY-UVTDQMKNSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

357.5
MW (Da)
2.88
ALogP
5
HBA
1
HBD
54.3
PSA (Ų)
0.68
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H15N3O2S2
MW 357.46
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -2.11

Activity Summary

EC50 1 meas. best 7.05

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
E3 ubiquitin-protein ligase Mdm2
CHEMBL5023
EC50 7.05 7.05 90.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine