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Compound Detail

CHEMBL4165213

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COc1cc(CNC2CCCC2)ccc1OCC(=O)NC(C)(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4165213
Phase Preclinical
Structure Type MOL
InChI Key SSEILAMWECLLQO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

334.5
MW (Da)
3.02
ALogP
4
HBA
2
HBD
59.6
PSA (Ų)
0.80
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H30N2O3
MW 334.46
Aromatic Rings 1
Heavy Atoms 24
NP-Likeness -0.95

Literature References

PubMed DOI Target Context # Activities
29665527 10.1016/j.ejmech.2018.02.005 Histone acetyltransferase GCN5 2

Data from ChEMBL 36 via Core Engine