Compound Detail
CHEMBL3092413
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Basic Information
| ChEMBL ID | CHEMBL3092413 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UGDJVSURAKMIPU-UHFFFAOYSA-N |
3
Targets
6
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
352.8
MW (Da)
2.58
ALogP
6
HBA
0
HBD
60.5
PSA (Ų)
0.72
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 7.25
IC50 2 meas. best 4.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| G-protein coupled receptor 39 CHEMBL3091266 | EC50 | 7.25 | 5.855 | 56.0 | 4 |
| cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A CHEMBL241 | IC50 | 4.82 | 4.82 | 15000.0 | 1 |
| cGMP-inhibited 3',5'-cyclic phosphodiesterase 3B CHEMBL290 | IC50 | 4.62 | 4.62 | 24000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| G-protein coupled receptor 39 | EC50 | = | 56.0 | nM | 7.25 | Agonist activity at recombinant human GPR39 expressed in CHO-K1 cells assessed a... | 24900608 |
| G-protein coupled receptor 39 | EC50 | = | 900.0 | nM | 6.05 | Agonist activity at GPR39 in human HT-29 cells assessed as increase in intracell... | 24900608 |
| G-protein coupled receptor 39 | EC50 | = | 6250.0 | nM | 5.2 | Agonist activity at human GPR39 receptor expressed in CHO cells assessed as incr... | 35123006 |
| G-protein coupled receptor 39 | EC50 | = | 12000.0 | nM | 4.92 | Agonist activity at recombinant human GPR39 expressed in CHO-K1 cells assessed a... | 24900608 |
| cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A | IC50 | = | 15000.0 | nM | 4.82 | Inhibition of PDE3a (unknown origin) | 24900608 |
| cGMP-inhibited 3',5'-cyclic phosphodiesterase 3B | IC50 | = | 24000.0 | nM | 4.62 | Inhibition of PDE3B (unknown origin) | 24900608 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24900608 | 10.1021/ml400275z | G-protein coupled receptor 39 | 9 |
| 35123006 | 10.1016/j.bmcl.2022.128607 | G-protein coupled receptor 39 | 2 |
| 24900608 | 10.1021/ml400275z | Protein Gpr39 | 1 |
| 24900608 | 10.1021/ml400275z | cGMP-inhibited 3',5'-cyclic phosphodiesterase 3B | 1 |
| 24900608 | 10.1021/ml400275z | cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A | 1 |
| 24900608 | 10.1021/ml400275z | MDCK | 1 |
Data from ChEMBL 36 via Core Engine