Compound Detail
CHEMBL4521971
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Basic Information
| ChEMBL ID | CHEMBL4521971 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ABGOSOMRWSYAOB-UHFFFAOYSA-N |
10
Targets
31
Activities
3
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
359.3
MW (Da)
5.35
ALogP
4
HBA
1
HBD
50.7
PSA (Ų)
0.68
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 17 meas. best 7.6
Ki 12 meas. best 7.92
EC50 2 meas. best 6.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A1 CHEMBL226 | Ki | 7.92 | 7.8 | 12.0 | 2 |
| Histone-lysine N-methyltransferase KMT5B CHEMBL2321645 | IC50 | 7.6 | 7.6 | 25.0 | 3 |
| Adenosine receptor A2a CHEMBL251 | Ki | 7.55 | 7.55 | 28.0 | 2 |
| Histone-lysine N-methyltransferase KMT5C CHEMBL2321644 | IC50 | 6.84 | 6.84 | 144.0 | 3 |
| Unchecked CHEMBL612545 | IC50 | 6.68 | 6.267 | 211.0 | 10 |
| Histone-lysine N-methyltransferase KMT5C CHEMBL2321644 | EC50 | 6.58 | 6.58 | 262.0 | 1 |
| Histone-lysine N-methyltransferase KMT5B CHEMBL2321645 | EC50 | 6.58 | 6.58 | 262.0 | 1 |
| Gamma-aminobutyric acid receptor subunit alpha-1 CHEMBL1962 | Ki | 5.75 | 5.75 | 1800.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 5.75 | 5.75 | 1800.0 | 1 |
| Adenosine receptor A3 CHEMBL256 | Ki | 5.7 | 5.7 | 2000.0 | 2 |
| Substance-K receptor CHEMBL2327 | Ki | 5.39 | 5.39 | 4100.0 | 2 |
| Delta-type opioid receptor CHEMBL236 | Ki | 5.05 | 5.05 | 9000.0 | 2 |
| FLC clone 745 CHEMBL6066809 | IC50 | 4.7 | 4.7 | 20000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine