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Compound Detail

CHEMBL69705

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COc1cccc2c1CC[C@@H](N(Cc1ccccc1)Cc1ccccc1)C2

Basic Information

ChEMBL ID CHEMBL69705
Phase Preclinical
Structure Type MOL
InChI Key MNNMWEOINNJPCF-HSZRJFAPSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

357.5
MW (Da)
5.25
ALogP
2
HBA
0
HBD
12.5
PSA (Ų)
0.60
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H27NO
MW 357.50
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -0.48

Literature References

PubMed DOI Target Context # Activities
10465538 10.1016/s0960-894x(99)00345-5 D(2) dopamine receptor 4

Data from ChEMBL 36 via Core Engine