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Compound Detail

CHEMBL26926

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CCCN(CCCCCCN1C(=O)CC2(CCCC2)CC1=O)C1COc2cccc(OC)c2C1

Basic Information

ChEMBL ID CHEMBL26926
Phase Preclinical
Structure Type MOL
InChI Key JYCRWHDGIJVTAM-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

470.6
MW (Da)
4.98
ALogP
5
HBA
0
HBD
59.1
PSA (Ų)
0.34
QED
0
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H42N2O4
MW 470.65
Aromatic Rings 1
Heavy Atoms 34
NP-Likeness -0.29

Activity Summary

Ki 1 meas. best 9.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
5-hydroxytryptamine receptor 1A
CHEMBL273
Ki 9.3 9.3 0.5 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