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Compound Detail

CHEMBL24622

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CCCN1[C@@H]2CCc3cccc(OC)c3[C@@H]2C[C@@H]1C

Basic Information

ChEMBL ID CHEMBL24622
Phase Preclinical
Structure Type MOL
InChI Key FWQJZNALGBTYNB-NWANDNLSSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

259.4
MW (Da)
3.60
ALogP
2
HBA
0
HBD
12.5
PSA (Ų)
0.82
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 C17H25NO
MW 259.39
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness 0.33

Activity Summary

Ki 1 meas. best 9.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
5-hydroxytryptamine receptor 1A
CHEMBL214
Ki 9.0 9.0 1.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

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

Data from ChEMBL 36 via Core Engine