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Compound Detail

CHEMBL10207

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CCCN1CCC2c3cccc(O)c3CCC21

Basic Information

ChEMBL ID CHEMBL10207
Phase Preclinical
Structure Type MOL
InChI Key SHOJVFLWKSRVPH-UHFFFAOYSA-N
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

231.3
MW (Da)
2.91
ALogP
2
HBA
1
HBD
23.5
PSA (Ų)
0.85
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 C15H21NO
MW 231.34
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness 0.63

Activity Summary

Ki 4 meas. best 7.48

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
D(2) dopamine receptor
CHEMBL339
Ki 7.48 7.48 33.0 1
D(2) dopamine receptor
CHEMBL217
Ki 7.03 6.845 93.0 2
5-hydroxytryptamine receptor 1A
CHEMBL214
Ki 6.47 6.47 338.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
8496900 10.1021/jm00062a001 D(2) dopamine receptor 6
8496900 10.1021/jm00062a001 5-hydroxytryptamine receptor 1A 2

Data from ChEMBL 36 via Core Engine