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Compound Detail

CHEMBL1486938

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C=CCOc1c(Br)cc(C2C3=C(CCCC3=O)N(C)C3=C2C(=O)CCC3)cc1OCC

Basic Information

ChEMBL ID CHEMBL1486938
Phase Preclinical
Structure Type MOL
InChI Key ZWBYTNOGSNZJMX-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

486.4
MW (Da)
5.46
ALogP
5
HBA
0
HBD
55.8
PSA (Ų)
0.50
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H28BrNO4
MW 486.41
Aromatic Rings 1
Heavy Atoms 31
NP-Likeness -0.44

Activity Summary

IC50 2 meas. best 6.06

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Runt-related transcription factor 1/Core-binding factor subunit beta
CHEMBL2093862
IC50 6.06 5.22 865.0 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine