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Compound Detail

CHEMBL6046370

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Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)NCCCCCCC(=O)Nc1cccc3c1CN(C1CCC(=O)NC1=O)C3=O)c1nnc(C)n1-2

Basic Information

ChEMBL ID CHEMBL6046370
Phase Preclinical
Structure Type MOL
InChI Key DCGPUMBJALMCLB-UFXYQILXSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

769.3
MW (Da)
5.66
ALogP
10
HBA
3
HBD
167.8
PSA (Ų)
0.12
QED
2
Ro5 Violations
12
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C39H41ClN8O5S
MW 769.33
Aromatic Rings 4
Heavy Atoms 54
NP-Likeness -0.77

Activity Summary

IC50 1 meas. best 7.61

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein cereblon/DNA damage-binding protein 1/Bromodomain-containing protein 4
CHEMBL4296145
IC50 7.61 7.61 24.5 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine