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Compound Detail

CHEMBL1950955

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CC(=O)N1c2ccccc2CCC1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1950955
Phase Preclinical
Structure Type MOL
InChI Key IJTWYLGCGAIGAQ-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

189.3
MW (Da)
2.37
ALogP
1
HBA
0
HBD
20.3
PSA (Ų)
0.61
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C12H15NO
MW 189.26
Aromatic Rings 1
Heavy Atoms 14
NP-Likeness -0.76

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
22136404 10.1021/jm201320w Bromodomain-containing protein 2 2
22136404 10.1021/jm201320w Bromodomain-containing protein 3 2
22136404 10.1021/jm201320w Bromodomain-containing protein 4 2
29656650 10.1021/acs.jmedchem.7b01666 Bromodomain-containing protein 4 2

Data from ChEMBL 36 via Core Engine