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Compound Detail

CHEMBL1620452

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CC(=O)N1c2ccccc2CCc2ccc(N)cc21

Basic Information

ChEMBL ID CHEMBL1620452
Phase Preclinical
Structure Type MOL
InChI Key SEUMPHLDWPKWRO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

252.3
MW (Da)
3.05
ALogP
2
HBA
1
HBD
46.3
PSA (Ų)
0.73
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H16N2O
MW 252.32
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -0.37

Literature References

PubMed DOI Target Context # Activities
- 10.1039/C3MD00397C HepG2 1

Data from ChEMBL 36 via Core Engine