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Compound Detail

CHEMBL361892

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CN1CCC[C@@H]1Cn1cc(Cc2ccccc2)c2ccccc21.O=C(O)C(=O)O

Basic Information

ChEMBL ID CHEMBL361892
Phase Preclinical
Structure Type MOL
InChI Key STIGRNOVZGJGCF-FSRHSHDFSA-N
Parent Compound CHEMBL1184645
Active Moiety CHEMBL1184645
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

304.4
MW (Da)
4.33
ALogP
2
HBA
0
HBD
8.2
PSA (Ų)
0.70
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H26N2O4
MW 394.47
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -0.39

Activity Summary

Ki 1 meas. best 8.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
5-hydroxytryptamine receptor 6
CHEMBL3371
Ki 8.0 8.0 9.9 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
15990303 10.1016/j.bmcl.2005.05.092 5-hydroxytryptamine receptor 6 1

Data from ChEMBL 36 via Core Engine