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Compound Detail

CHEMBL5883980

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Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)NCCCCCC(=O)NCc1cccc3c1C(=O)N(C1CCC(=O)NC1=O)C3=O)c1nnc(C)n1-2

Basic Information

ChEMBL ID CHEMBL5883980
Phase Preclinical
Structure Type MOL
InChI Key KVKRYCAWRGWYNN-MBMZGMDYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

783.3
MW (Da)
4.58
ALogP
11
HBA
3
HBD
184.8
PSA (Ų)
0.14
QED
2
Ro5 Violations
12
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C39H39ClN8O6S
MW 783.31
Aromatic Rings 4
Heavy Atoms 55
NP-Likeness -0.86

Activity Summary

IC50 1 meas. best 7.88

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 7.88 7.88 13.2 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine