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Compound Detail

CHEMBL23264

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COc1ccccc1N1CCN(CCCNC(=O)c2ccc[nH]2)CC1

Basic Information

ChEMBL ID CHEMBL23264
Phase Preclinical
Structure Type MOL
InChI Key YHPCJOOLDBROGD-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

342.4
MW (Da)
1.97
ALogP
4
HBA
2
HBD
60.6
PSA (Ų)
0.76
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H26N4O2
MW 342.44
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -1.44

Activity Summary

Ki 1 meas. best 6.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
5-hydroxytryptamine receptor 1A
CHEMBL273
Ki 6.7 6.7 201.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
7731013 10.1021/jm00008a005 5-hydroxytryptamine receptor 1A 1

Data from ChEMBL 36 via Core Engine