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Compound Detail

CHEMBL251857

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COc1cc(Br)c2c(c1)NC(=O)C(C)(c1ccccc1)C2=O

Basic Information

ChEMBL ID CHEMBL251857
Phase Preclinical
Structure Type MOL
InChI Key PMNPFAQQRRXRTF-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

360.2
MW (Da)
3.55
ALogP
3
HBA
1
HBD
55.4
PSA (Ų)
0.83
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H14BrNO3
MW 360.21
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness 0.38

Activity Summary

Ki 1 meas. best 7.13

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
5-hydroxytryptamine receptor 6
CHEMBL3371
Ki 7.13 7.13 73.2 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
18053713 10.1016/j.bmcl.2007.11.045 5-hydroxytryptamine receptor 6 1

Data from ChEMBL 36 via Core Engine