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Assay Detail

CHEMBL4481774

Review assay metadata, readout intent, target linkage, and publication context from the same page.

Binding
Displacement of [3H]CCPA from rat adenosine A2a receptor
9
Total Activities
9
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Rattus norvegicus
Confidence 9 — Direct single protein target
Curated By Autocuration

Target

Adenosine receptor A2a (CHEMBL302)
Type SINGLE PROTEIN
Organism Rattus norvegicus

Publication

Novel multi-target directed ligands based on annelated xanthine scaffold with aromatic substituents acting on adenosine receptor and monoamine oxidase B. Synthesis, in vitro and in silico studies.
Załuski M, Schabikowski J, Schlenk M, Olejarz-Maciej A, Kubas B, Karcz T, Kuder K, Latacz G, Zygmunt M, Synak D, Hinz S, Müller CE, Kieć-Kononowicz K.
Bioorg Med Chem (2019) 27 : 1195 -1210
PubMed 30808606 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
Ki 9 5.12 8.36

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL431770 ISTRADEFYLLINE 4.0 1 8.36
CHEMBL241618 1 6.10
CHEMBL4517303 1 5.05
CHEMBL4544530 1 4.52
CHEMBL113 CAFFEINE 4.0 1 4.49
CHEMBL4569183 1 4.48
CHEMBL4579508 1 4.39
CHEMBL4530654 1 4.38
CHEMBL4483563 1 4.28

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL431770 ISTRADEFYLLINE Ki = 4.4 nM 8.36
CHEMBL241618 Ki = 802.0 nM 6.10
CHEMBL4517303 Ki = 9000.0 nM 5.05
CHEMBL4544530 Ki = 30000.0 nM 4.52
CHEMBL113 CAFFEINE Ki = 32500.0 nM 4.49
CHEMBL4569183 Ki = 33000.0 nM 4.48
CHEMBL4579508 Ki = 41000.0 nM 4.39
CHEMBL4530654 Ki = 42000.0 nM 4.38
CHEMBL4483563 Ki = 52000.0 nM 4.28