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Compound Detail

CHEMBL59340

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Brc1coc2c(N3CCNCC3)cccc12

Basic Information

ChEMBL ID CHEMBL59340
Phase Preclinical
Structure Type MOL
InChI Key OMXMAEZJPXGDCX-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

281.1
MW (Da)
2.60
ALogP
3
HBA
1
HBD
28.4
PSA (Ų)
0.87
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H13BrN2O
MW 281.15
Aromatic Rings 2
Heavy Atoms 16
NP-Likeness -0.50

Activity Summary

Ki 1 meas. best 6.89

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
5-hydroxytryptamine receptor 1A
CHEMBL273
Ki 6.89 6.89 130.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
7783126 10.1021/jm00011a014 5-hydroxytryptamine receptor 1A 1

Data from ChEMBL 36 via Core Engine