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Compound Detail

CHEMBL3394899

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COc1cc(/C=N/NC(=O)C2CCNCC2)cc(Br)c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3394899
Phase Preclinical
Structure Type MOL
InChI Key ZOOJPTFRBIWZNQ-CAOOACKPSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

356.2
MW (Da)
1.61
ALogP
5
HBA
3
HBD
83.0
PSA (Ų)
0.57
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 C14H18BrN3O3
MW 356.22
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness -0.85

Literature References

PubMed DOI Target Context # Activities
25582598 10.1016/j.bmcl.2014.11.067 Histone chaperone ASF1A 1

Data from ChEMBL 36 via Core Engine