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Compound Detail

CHEMBL3808455

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CCCOc1ccc2c(c1)c(-c1c(C)[nH][nH]c1=O)cn2C(C)=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3808455
Phase Preclinical
Structure Type MOL
InChI Key JWXGTFUNEYTXDB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

313.4
MW (Da)
3.08
ALogP
4
HBA
2
HBD
79.9
PSA (Ų)
0.78
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H19N3O3
MW 313.36
Aromatic Rings 3
Heavy Atoms 23
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