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Compound Detail

CHEMBL3810380

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COc1ccc(S(=O)(=O)n2c(C)c(-c3cn(C(C)=O)c4ccccc34)c(=O)n2S(=O)(=O)c2ccc(OC)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3810380
Phase Preclinical
Structure Type MOL
InChI Key QJYRUASWRPNNKV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

595.7
MW (Da)
3.73
ALogP
11
HBA
0
HBD
135.7
PSA (Ų)
0.28
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 C28H25N3O8S2
MW 595.66
Aromatic Rings 5
Heavy Atoms 41
NP-Likeness -0.50

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