Compound Detail
CHEMBL124977
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Basic Information
| ChEMBL ID | CHEMBL124977 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SDXQSUJXSHUIBQ-UHFFFAOYSA-N |
1
Targets
6
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
211.3
MW (Da)
1.88
ALogP
5
HBA
3
HBD
78.3
PSA (Ų)
0.63
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 8.5
Ki 2 meas. best 8.53
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| G-protein coupled receptor 84 CHEMBL3714079 | Ki | 8.53 | 8.53 | 3.0 | 1 |
| G-protein coupled receptor 84 CHEMBL3714079 | EC50 | 8.5 | 8.3525 | 3.2 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| G-protein coupled receptor 84 | Ki | = | 2.98 | nM | 8.53 | Displacement of [3H]PSB-1584 from recombinant human GPR84 expressed in CHO cell ... | 31721581 |
| G-protein coupled receptor 84 | EC50 | = | 3.18 | nM | 8.5 | Agonist activity at recombinant human GPR84 expressed in CHO cells assessed as b... | 31721581 |
| G-protein coupled receptor 84 | EC50 | = | 4.93 | nM | 8.31 | Agonist activity at recombinant human GPR84 expressed in CHO cells co-expressing... | 31721581 |
| G-protein coupled receptor 84 | EC50 | = | 5.0 | nM | 8.3 | Agonist activity at human GPR84 expressed in recombinant CHO cells harboring bet... | 38146625 |
| G-protein coupled receptor 84 | EC50 | = | 5.0 | nM | 8.3 | Agonist activity at human GPR84 expressed in recombinant CHO cells harboring bet... | 38146625 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31721581 | 10.1021/acs.jmedchem.9b01339 | G-protein coupled receptor 84 | 8 |
| 31721581 | 10.1021/acs.jmedchem.9b01339 | Unchecked | 4 |
| 38146625 | 10.1021/acs.jmedchem.3c00951 | G-protein coupled receptor 84 | 2 |
| 6767030 | 10.1021/jm00175a007 | DNA topoisomerase 3 | 1 |
Data from ChEMBL 36 via Core Engine