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Compound Detail

CHEMBL341279

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NCC1=CCCc2ccccc21

Basic Information

ChEMBL ID CHEMBL341279
Phase Preclinical
Structure Type MOL
InChI Key WNFNQSTXHLQIED-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

159.2
MW (Da)
1.97
ALogP
1
HBA
1
HBD
26.0
PSA (Ų)
0.67
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H13N
MW 159.23
Aromatic Rings 1
Heavy Atoms 12
NP-Likeness 0.50

Activity Summary

Kd 1 meas. best 5.81

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Serotonin (5-HT) receptor
CHEMBL2094123
Kd 5.81 5.81 1548.8 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
7069716 10.1021/jm00346a012 Serotonin (5-HT) receptor 1

Data from ChEMBL 36 via Core Engine