Compound Detail
CHEMBL150764
BUFROLIN 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL150764 |
| Name | BUFROLIN |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | BQVIONBNDNFCCP-UHFFFAOYSA-N |
4
Targets
8
Activities
2
Assay Types
0
PK Parameters
8
Publications
4
Known Names
Molecular Properties
356.3
MW (Da)
2.11
ALogP
4
HBA
4
HBD
140.3
PSA (Ų)
0.52
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Activity Summary
IC50 5 meas. best 4.8
EC50 3 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 8.0 | 8.0 | 10.0 | 1 |
| G-protein coupled receptor 35 CHEMBL1293267 | EC50 | 7.89 | 7.89 | 13.0 | 2 |
| Phosphodiesterase 1 CHEMBL2095150 | IC50 | 4.8 | 4.8 | 16000.0 | 1 |
| cGMP-dependent 3',5'-cyclic phosphodiesterase CHEMBL2652 | IC50 | 4.1 | 4.1 | 80000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 10.0 | nM | 8.0 | Agonist activity at rat GPR35 by beta-arrestin recruitment assay | 37976806 |
| G-protein coupled receptor 35 | EC50 | = | 13.0 | nM | 7.89 | Agonist activity at human GPR35 receptor expressed in HEK293T cells co-expressin... | 33630609 |
| G-protein coupled receptor 35 | EC50 | = | 13.0 | nM | 7.89 | Agonist activity at human GPR35 by beta-arrestin recruitment assay | 37976806 |
| Phosphodiesterase 1 | IC50 | = | 16000.0 | nM | 4.8 | Inhibition of [Ca(2+)]/calmodulin dependent phosphodiesterase PDE 1 of human lun... | 2985781 |
| cGMP-dependent 3',5'-cyclic phosphodiesterase | IC50 | = | 80000.0 | nM | 4.1 | Inhibition of cyclic GMP sensitive phosphodiesterase PDE 2 of human lung | 2985781 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6808133 | 10.1021/jm00348a025 | Alkaline phosphatase, germ cell type | 2 |
| 903921 | 10.1021/jm00220a022 | Rattus norvegicus | 2 |
| 2985781 | 10.1021/jm50001a001 | Phosphodiesterase 1 | 1 |
| 2985781 | 10.1021/jm50001a001 | cGMP-dependent 3',5'-cyclic phosphodiesterase | 1 |
| 2985781 | 10.1021/jm50001a001 | Phosphodiesterase; PDE3 & PDE4 | 1 |
| 33630609 | 10.1021/acs.jmedchem.0c01624 | G-protein coupled receptor 35 | 1 |
| 37976806 | 10.1016/j.bmc.2023.117511 | G-protein coupled receptor 35 | 1 |
| 37976806 | 10.1016/j.bmc.2023.117511 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine