Compound Detail
CHEMBL3342374
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Basic Information
| ChEMBL ID | CHEMBL3342374 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HBGKDBCDSIVHMS-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
1
PK Parameters
2
Publications
0
Known Names
Molecular Properties
375.4
MW (Da)
4.09
ALogP
6
HBA
2
HBD
72.0
PSA (Ų)
0.68
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 8.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| G-protein coupled receptor 39 CHEMBL3341584 | EC50 | 8.15 | 8.15 | 7.0 | 1 |
| G-protein coupled receptor 39 CHEMBL3091266 | EC50 | 7.89 | 7.89 | 13.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 52.3 | mL.min-1.kg-1 | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| G-protein coupled receptor 39 | EC50 | = | 7.0 | nM | 8.15 | Agonist activity at mouse GPR39 expressed in HEK293 cells by IP1 assay | 25313322 |
| G-protein coupled receptor 39 | EC50 | = | 13.0 | nM | 7.89 | Agonist activity at human GPR39 expressed in HEK293 cells by IP1 assay | 25313322 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25313322 | 10.1021/ml500240d | G-protein coupled receptor 39 | 2 |
| 25313322 | 10.1021/ml500240d | Liver microsome | 1 |
Data from ChEMBL 36 via Core Engine