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Compound Detail

CHEMBL192348

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COc1ccccc1N1CCN(CCON2C(=O)C3C4C=CC(C4)C3C2=O)CC1

Basic Information

ChEMBL ID CHEMBL192348
Phase Preclinical
Structure Type MOL
InChI Key ZHQOLPARHMJYHA-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

397.5
MW (Da)
1.56
ALogP
6
HBA
0
HBD
62.3
PSA (Ų)
0.54
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H27N3O4
MW 397.48
Aromatic Rings 1
Heavy Atoms 29
NP-Likeness -0.76

Activity Summary

Ki 1 meas. best 7.35

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
5-hydroxytryptamine receptor 1A
CHEMBL273
Ki 7.35 7.35 45.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
16107148 10.1021/jm050246k 5-hydroxytryptamine receptor 1A 1
16107148 10.1021/jm050246k 5-hydroxytryptamine receptor 2A 1
16107148 10.1021/jm050246k 5-hydroxytryptamine receptor 2C 1

Data from ChEMBL 36 via Core Engine