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Compound Detail

CHEMBL1576266

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COc1ccc(/C=C/C(=O)Nc2c(C)nn(C)c2C)cc1COc1ccc(Cl)cc1Br

Basic Information

ChEMBL ID CHEMBL1576266
Phase Preclinical
Structure Type MOL
InChI Key YXDWLYAHXWHFOK-UXBLZVDNSA-N
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

504.8
MW (Da)
5.69
ALogP
5
HBA
1
HBD
65.4
PSA (Ų)
0.42
QED
2
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H23BrClN3O3
MW 504.81
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.38

Activity Summary

IC50 3 meas. best 5.48

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Bcl-2-related protein A1
CHEMBL1293239
IC50 5.48 5.48 3320.0 1
Ubiquitin-conjugating enzyme E2 N
CHEMBL6089
IC50 4.81 4.785 15596.0 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine