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Compound Detail

CHEMBL24575

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C=CCN1CC[C@H]2c3cccc(O)c3CC[C@@H]21

Basic Information

ChEMBL ID CHEMBL24575
Phase Preclinical
Structure Type MOL
InChI Key MHHLELSXRBTNRD-JSGCOSHPSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

229.3
MW (Da)
2.68
ALogP
2
HBA
1
HBD
23.5
PSA (Ų)
0.79
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 C15H19NO
MW 229.32
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness 0.72

Activity Summary

Ki 1 meas. best 7.27

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
5-hydroxytryptamine receptor 1A
CHEMBL214
Ki 7.27 7.27 54.0 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