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Compound Detail

CHEMBL182943

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C[C@H](Nc1cc(NCCOc2ccc(F)cc2)ncn1)c1ccccc1

Basic Information

ChEMBL ID CHEMBL182943
Phase Preclinical
Structure Type MOL
InChI Key LRYYGIHBCQWTFF-HNNXBMFYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

352.4
MW (Da)
4.28
ALogP
5
HBA
2
HBD
59.1
PSA (Ų)
0.59
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H21FN4O
MW 352.41
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.41

Activity Summary

Ki 1 meas. best 8.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
5-hydroxytryptamine receptor 7
CHEMBL3155
Ki 8.3 8.3 5.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
5-hydroxytryptamine receptor 7 Ki = 5.0 nM 8.3 Binding affinity against 5-Hydroxy tryptamine 7 receptor 15261280

Literature References

PubMed DOI Target Context # Activities
15261280 10.1016/j.bmcl.2004.06.007 5-hydroxytryptamine receptor 7 1

Data from ChEMBL 36 via Core Engine