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Compound Detail

CHEMBL128393

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NC1CCc2ccccc2C1=O

Basic Information

ChEMBL ID CHEMBL128393
Phase Preclinical
Structure Type MOL
InChI Key MUGWUYGVUZLWRB-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

161.2
MW (Da)
1.14
ALogP
2
HBA
1
HBD
43.1
PSA (Ų)
0.62
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H11NO
MW 161.20
Aromatic Rings 1
Heavy Atoms 12
NP-Likeness 0.38

Activity Summary

Kd 1 meas. best 6.04

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Serotonin (5-HT) receptor
CHEMBL2094123
Kd 6.04 6.04 912.0 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