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Compound Detail

CHEMBL274725

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COc1ccc(N)cc1N1CCN(C)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL274725
Phase Preclinical
Structure Type MOL
InChI Key NGRRREPRVBZRID-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

221.3
MW (Da)
1.03
ALogP
4
HBA
1
HBD
41.7
PSA (Ų)
0.76
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 C12H19N3O
MW 221.30
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness -1.05

Literature References

PubMed DOI Target Context # Activities
10737747 10.1021/jm9811054 Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine