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Compound Detail

CHEMBL1864229

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C=CC[n+]1cccc2cccc(O)c21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1864229
Phase Preclinical
Structure Type MOL
InChI Key JWPQSPJDWCVDDB-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

186.2
MW (Da)
2.02
ALogP
1
HBA
1
HBD
24.1
PSA (Ų)
0.56
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H12NO+
MW 186.23
Aromatic Rings 2
Heavy Atoms 14
NP-Likeness 0.40

Literature References

PubMed DOI Target Context # Activities
30529546 10.1016/j.ejmech.2018.11.018 Bromodomain-containing protein 4 3

Data from ChEMBL 36 via Core Engine