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Compound Detail

CHEMBL183862

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C[C@H](Nc1ncnc(NCCOc2ccccc2)n1)c1ccccc1

Basic Information

ChEMBL ID CHEMBL183862
Phase Preclinical
Structure Type MOL
InChI Key DVLDNWRNAGYZPR-HNNXBMFYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

335.4
MW (Da)
3.54
ALogP
6
HBA
2
HBD
72.0
PSA (Ų)
0.61
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 C19H21N5O
MW 335.41
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.24

Activity Summary

Ki 1 meas. best 8.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
5-hydroxytryptamine receptor 7
CHEMBL3155
Ki 8.52 8.52 3.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
5-hydroxytryptamine receptor 7 Ki = 3.0 nM 8.52 Binding affinity against 5-Hydroxy tryptamine 7 receptor 15261279

Literature References

PubMed DOI Target Context # Activities
15261279 10.1016/j.bmcl.2004.06.008 5-hydroxytryptamine receptor 7 1

Data from ChEMBL 36 via Core Engine