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Compound Detail

CHEMBL354845

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CCCN1CCO[C@H]2c3cc4c(cc3OC[C@H]21)CCO4
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL354845
Phase Preclinical
Structure Type MOL
InChI Key ZLSIXWCLVGKULN-CJNGLKHVSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

275.4
MW (Da)
2.17
ALogP
4
HBA
0
HBD
30.9
PSA (Ų)
0.83
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 C16H21NO3
MW 275.35
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness 0.49

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