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Compound Detail

CHEMBL283825

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c1ccc(C2(c3ccccc3)OC[C@H]([C@@H]3CCCN3)O2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL283825
Phase Preclinical
Structure Type MOL
InChI Key NNIUYPMCSFIKJL-ZWKOTPCHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

295.4
MW (Da)
3.06
ALogP
3
HBA
1
HBD
30.5
PSA (Ų)
0.94
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H21NO2
MW 295.38
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness 0.72

Literature References

PubMed DOI Target Context # Activities
1349351 10.1021/jm00086a001 Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine