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Compound Detail

CHEMBL3809834

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CC(=O)n1cc(-c2c(C)nn3c2OCC3)c2ccccc21

Basic Information

ChEMBL ID CHEMBL3809834
Phase Preclinical
Structure Type MOL
InChI Key RVHAVBXZRUCGCC-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

281.3
MW (Da)
2.87
ALogP
5
HBA
0
HBD
49.0
PSA (Ų)
0.69
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H15N3O2
MW 281.32
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -0.80

Activity Summary

Kd 1 meas. best 5.21

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
CREB-binding protein
CHEMBL5747
Kd 5.21 5.21 6200.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
CREB-binding protein Kd = 6200.0 nM 5.21 Competitive binding affinity to CBP (unknown origin) measured after 1 hr by BROM... 26982797

Literature References

PubMed DOI Target Context # Activities
26982797 10.1021/acs.jmedchem.5b01757 CREB-binding protein 2
26982797 10.1021/acs.jmedchem.5b01757 Bromodomain-containing protein 9 2
26982797 10.1021/acs.jmedchem.5b01757 Histone acetyltransferase p300 1
26982797 10.1021/acs.jmedchem.5b01757 Bromodomain-containing protein 4 1

Data from ChEMBL 36 via Core Engine