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Compound Detail

CHEMBL73190

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CCCc1ccc(CC2=NCCN2)cc1

Basic Information

ChEMBL ID CHEMBL73190
Phase Preclinical
Structure Type MOL
InChI Key FLZCFXLRFMDTMP-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

202.3
MW (Da)
2.18
ALogP
2
HBA
1
HBD
24.4
PSA (Ų)
0.79
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H18N2
MW 202.30
Aromatic Rings 1
Heavy Atoms 15
NP-Likeness -0.10

Activity Summary

Ki 1 meas. best 5.62

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
5-hydroxytryptamine receptor 1D
CHEMBL1983
Ki 5.62 5.62 2375.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
9632357 10.1021/jm970513p 5-hydroxytryptamine receptor 1B 1
9632357 10.1021/jm970513p 5-hydroxytryptamine receptor 1D 1
9632357 10.1021/jm970513p Serotonin 1 receptors; 5-HT1B & 5-HT1D 1

Data from ChEMBL 36 via Core Engine