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Compound Detail

CHEMBL283174

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c1ccc2c(c1)CCC2N1CCN(c2cccc3c2OCCO3)CC1

Basic Information

ChEMBL ID CHEMBL283174
Phase Preclinical
Structure Type MOL
InChI Key SNGNTSVHSKKQEK-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

336.4
MW (Da)
3.27
ALogP
4
HBA
0
HBD
24.9
PSA (Ų)
0.84
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 C21H24N2O2
MW 336.44
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.57

Activity Summary

Ki 1 meas. best 8.74

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
5-hydroxytryptamine receptor 1A
CHEMBL273
Ki 8.74 8.74 1.8 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