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Compound Detail

CHEMBL24496

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CCCN1CC[C@@H]2c3ccccc3CC[C@H]21

Basic Information

ChEMBL ID CHEMBL24496
Phase Preclinical
Structure Type MOL
InChI Key ANSBSVSYIULXCZ-HUUCEWRRSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

215.3
MW (Da)
3.20
ALogP
1
HBA
0
HBD
3.2
PSA (Ų)
0.73
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 C15H21N
MW 215.34
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness 0.13

Activity Summary

Ki 2 meas. best 7.36

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
5-hydroxytryptamine receptor 1A
CHEMBL214
Ki 7.36 7.36 44.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
8097537 10.1021/jm00060a014 Mus musculus 8
8097537 10.1021/jm00060a014 5-hydroxytryptamine receptor 1A 1
8097537 10.1021/jm00060a014 D(2) dopamine receptor 1
7731016 10.1021/jm00008a008 5-hydroxytryptamine receptor 1A 1

Data from ChEMBL 36 via Core Engine