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Compound Detail

CHEMBL401126

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CCCN1CCO[C@@H](c2cc(O)cc(O)c2)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL401126
Phase Preclinical
Structure Type MOL
InChI Key VZDVSSOINOOOOJ-CYBMUJFWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

237.3
MW (Da)
1.88
ALogP
4
HBA
2
HBD
52.9
PSA (Ų)
0.84
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 C13H19NO3
MW 237.30
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness -0.35

Literature References

PubMed DOI Target Context # Activities
17976986 10.1016/j.bmcl.2007.10.059 D(3) dopamine receptor 1
17976986 10.1016/j.bmcl.2007.10.059 D(2) dopamine receptor 1

Data from ChEMBL 36 via Core Engine