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Compound Detail

CHEMBL3809627

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CC(=O)n1cc(-c2c(C)n(S(=O)(=O)c3ccc(C)cc3)n(S(=O)(=O)c3ccc(C)cc3)c2=O)c2ccccc21

Basic Information

ChEMBL ID CHEMBL3809627
Phase Preclinical
Structure Type MOL
InChI Key PILIJSYURLEAOO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

563.7
MW (Da)
4.33
ALogP
9
HBA
0
HBD
117.2
PSA (Ų)
0.31
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 C28H25N3O6S2
MW 563.66
Aromatic Rings 5
Heavy Atoms 39
NP-Likeness -0.58

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