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Compound Detail

CHEMBL26783

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CCCN(CCCCN1C(=O)CC2(CCCC2)CC1=O)C1COc2ccccc2C1

Basic Information

ChEMBL ID CHEMBL26783
Phase Preclinical
Structure Type MOL
InChI Key FVLLVXYMXQHQOB-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

412.6
MW (Da)
4.19
ALogP
4
HBA
0
HBD
49.9
PSA (Ų)
0.47
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 C25H36N2O3
MW 412.57
Aromatic Rings 1
Heavy Atoms 30
NP-Likeness -0.52

Activity Summary

Ki 1 meas. best 9.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
5-hydroxytryptamine receptor 1A
CHEMBL273
Ki 9.0 9.0 1.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
8568799 10.1021/jm950410b 5-hydroxytryptamine receptor 1A 1

Data from ChEMBL 36 via Core Engine