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Compound Detail

CHEMBL10677

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CCCN1CCC2c3c(cccc3OC)CCC21

Basic Information

ChEMBL ID CHEMBL10677
Phase Preclinical
Structure Type MOL
InChI Key HPUKPOAWHHZLIX-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

245.4
MW (Da)
3.21
ALogP
2
HBA
0
HBD
12.5
PSA (Ų)
0.81
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H23NO
MW 245.37
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness 0.31

Activity Summary

Ki 1 meas. best 8.36

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
5-hydroxytryptamine receptor 1A
CHEMBL214
Ki 8.36 8.36 4.4 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
8097537 10.1021/jm00060a014 Mus musculus 4
8097537 10.1021/jm00060a014 5-hydroxytryptamine receptor 1A 1
8097537 10.1021/jm00060a014 D(2) dopamine receptor 1

Data from ChEMBL 36 via Core Engine