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Compound Detail

CHEMBL492698

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c1ccc(CNC[C@H]2C[C@@H]2c2ccccc2)cc1

Basic Information

ChEMBL ID CHEMBL492698
Phase Preclinical
Structure Type MOL
InChI Key SALPHQZNPUYVCF-IAGOWNOFSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

237.3
MW (Da)
3.58
ALogP
1
HBA
1
HBD
12.0
PSA (Ų)
0.84
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H19N
MW 237.35
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -0.06

Activity Summary

EC50 1 meas. best 5.24

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
5-hydroxytryptamine receptor 2C
CHEMBL225
EC50 5.24 5.24 5697.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
19284718 10.1021/jm801354e 5-hydroxytryptamine receptor 2A 2
19284718 10.1021/jm801354e 5-hydroxytryptamine receptor 2B 2
19284718 10.1021/jm801354e 5-hydroxytryptamine receptor 2C 2

Data from ChEMBL 36 via Core Engine