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Compound Detail

CHEMBL3809026

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COc1ccc(C(=O)n2c(C)c(-c3cn(C(C)=O)c4ccccc34)c(=O)n2C(=O)c2ccc(OC)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3809026
Phase Preclinical
Structure Type MOL
InChI Key CAIGKXIOQAHSSG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

523.5
MW (Da)
4.63
ALogP
9
HBA
0
HBD
101.5
PSA (Ų)
0.33
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H25N3O6
MW 523.55
Aromatic Rings 5
Heavy Atoms 39
NP-Likeness -0.40

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