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Compound Detail

CHEMBL25638

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COc1cccc2c1[C@@H]1CCN(CCc3ccccc3)[C@H]1CC2

Basic Information

ChEMBL ID CHEMBL25638
Phase Preclinical
Structure Type MOL
InChI Key PPFLJANGUQOHFJ-MOPGFXCFSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

307.4
MW (Da)
4.04
ALogP
2
HBA
0
HBD
12.5
PSA (Ų)
0.84
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H25NO
MW 307.44
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness 0.17

Activity Summary

Ki 1 meas. best 6.36

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
5-hydroxytryptamine receptor 1A
CHEMBL214
Ki 6.36 6.36 442.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
7731016 10.1021/jm00008a008 5-hydroxytryptamine receptor 1A 1

Data from ChEMBL 36 via Core Engine