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Compound Detail

CHEMBL355065

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c1ccc(CN2CCO[C@@H]3c4cc5c(cc4CC[C@H]32)CCO5)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL355065
Phase Preclinical
Structure Type MOL
InChI Key SICOIFQUDDUKOV-TZIWHRDSSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

321.4
MW (Da)
3.51
ALogP
3
HBA
0
HBD
21.7
PSA (Ų)
0.84
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 C21H23NO2
MW 321.42
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness 0.09

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(97)00126-1 D(2) dopamine receptor 1
- 10.1016/S0960-894X(97)00126-1 D(3) dopamine receptor 1

Data from ChEMBL 36 via Core Engine