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Compound Detail

CHEMBL12259

UCM-5600
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O=C1c2cccc3cccc(c23)N1CCCCCN1CCN(c2ccccc2)CC1

Basic Information

ChEMBL ID CHEMBL12259
Name UCM-5600
Phase Preclinical
Structure Type MOL
InChI Key UPZHUDFDXXFEKG-UHFFFAOYSA-N
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

399.5
MW (Da)
4.79
ALogP
3
HBA
0
HBD
26.8
PSA (Ų)
0.53
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H29N3O
MW 399.54
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.20

Activity Summary

Ki 5 meas. best 7.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
5-hydroxytryptamine receptor 7
CHEMBL3223
Ki 7.1 7.0833 79.4 3
5-hydroxytryptamine receptor 7
CHEMBL3155
Ki 7.05 7.05 89.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
25128671 10.1016/j.ejmech.2014.08.023 5-hydroxytryptamine receptor 7 2
14667218 10.1021/jm030841r 5-hydroxytryptamine receptor 7 1
10843226 10.1016/s0960-894x(00)00166-9 5-hydroxytryptamine receptor 7 1
19326916 10.1021/jm8014553 5-hydroxytryptamine receptor 7 1
19326916 10.1021/jm8014553 5-hydroxytryptamine receptor 1A 1
29767995 10.1021/acs.jmedchem.7b01898 5-hydroxytryptamine receptor 7 1

Data from ChEMBL 36 via Core Engine