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Compound Detail

CHEMBL5414815

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Brc1ccc2c(c1)OC1(C=C2)CCNCC1

Basic Information

ChEMBL ID CHEMBL5414815
Phase Preclinical
Structure Type MOL
InChI Key VRRPRNLUEAXHRT-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

280.2
MW (Da)
2.98
ALogP
2
HBA
1
HBD
21.3
PSA (Ų)
0.79
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H14BrNO
MW 280.17
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness 0.99

Activity Summary

EC50 2 meas. best 6.31

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
5-hydroxytryptamine receptor 2C
CHEMBL225
EC50 6.31 6.305 488.4 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
38229745 10.1021/acsmedchemlett.3c00454 5-hydroxytryptamine receptor 2C 3

Data from ChEMBL 36 via Core Engine