Compound Detail
CHEMBL290077
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Basic Information
| ChEMBL ID | CHEMBL290077 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HBUBKKRHXORPQB-UUOKFMHZSA-N |
5
Targets
26
Activities
3
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
285.2
MW (Da)
-1.84
ALogP
9
HBA
4
HBD
139.5
PSA (Ų)
0.47
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 13 meas. best 7.16
IC50 11 meas. best 5.86
Ki 2 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 7.16 | 6.6729 | 70.0 | 7 |
| Adenosine receptor A3 CHEMBL256 | Ki | 7.0 | 7.0 | 99.0 | 1 |
| BJ CHEMBL614358 | EC50 | 6.91 | 6.395 | 124.0 | 4 |
| Unchecked CHEMBL612545 | IC50 | 5.86 | 4.9878 | 1370.0 | 9 |
| Jurkat CHEMBL397 | IC50 | 5.63 | 5.63 | 2350.0 | 1 |
| Adenosine receptor A3 CHEMBL256 | EC50 | 5.58 | 5.58 | 2660.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 5.57 | 5.57 | 2710.0 | 1 |
| Heat shock factor protein 1 CHEMBL5313 | EC50 | 5.26 | 5.26 | 5464.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12238926 | 10.1021/jm020211+ | Adenosine receptor A3 | 3 |
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| 6620307 | 10.1021/jm00364a023 | Adenosine deaminase | 1 |
| 6620307 | 10.1021/jm00364a023 | Bos taurus | 1 |
| 24283924 | 10.1021/jm401530a | Unchecked | 1 |
| 24283924 | 10.1021/jm401530a | Trypanosoma brucei brucei | 1 |
| 28933546 | 10.1021/acs.jmedchem.7b01066 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine