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Compound Detail

CHEMBL23904

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COc1ccccc1N1CCN(CCCCNC(=O)C2CCCC2)CC1

Basic Information

ChEMBL ID CHEMBL23904
Phase Preclinical
Structure Type MOL
InChI Key CFBQXKZORDHMFE-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

359.5
MW (Da)
2.90
ALogP
4
HBA
1
HBD
44.8
PSA (Ų)
0.73
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H33N3O2
MW 359.51
Aromatic Rings 1
Heavy Atoms 26
NP-Likeness -1.51

Activity Summary

Ki 1 meas. best 8.73

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
5-hydroxytryptamine receptor 1A
CHEMBL273
Ki 8.73 8.73 1.9 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
7731013 10.1021/jm00008a005 5-hydroxytryptamine receptor 1A 1

Data from ChEMBL 36 via Core Engine