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Compound Detail

CHEMBL1897930

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Cc1ccc(C(=O)C[n+]2cccc3cccc(O)c32)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1897930
Phase Preclinical
Structure Type MOL
InChI Key QJUHNLPIIVUYMJ-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

278.3
MW (Da)
3.02
ALogP
2
HBA
1
HBD
41.2
PSA (Ų)
0.59
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H16NO2+
MW 278.33
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -0.28

Literature References

PubMed DOI Target Context # Activities
30529546 10.1016/j.ejmech.2018.11.018 Bromodomain-containing protein 4 2

Data from ChEMBL 36 via Core Engine