Compound Detail
CHEMBL2036958
SCH-900271 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL2036958 |
| Name | SCH-900271 |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | ARJKMWXLIHZLQZ-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
7
PK Parameters
15
Publications
2
Known Names
1
Mechanisms
Molecular Properties
276.3
MW (Da)
1.29
ALogP
4
HBA
2
HBD
95.9
PSA (Ų)
0.88
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Hydroxycarboxylic acid receptor 2 agonist | AGONIST | Hydroxycarboxylic acid receptor 2 | ✓ | ✓ |
Activity Summary
EC50 5 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hydroxycarboxylic acid receptor 2 CHEMBL3785 | EC50 | 8.7 | 8.7 | 2.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 8.3 | 8.3 | 5.0 | 1 |
| Hydroxycarboxylic acid receptor 2 CHEMBL4420 | EC50 | 8.22 | 8.22 | 6.0 | 1 |
| Hydroxycarboxylic acid receptor 2 CHEMBL4731 | EC50 | 8.1 | 8.1 | 8.0 | 1 |
| Hydroxycarboxylic acid receptor 3 CHEMBL4421 | EC50 | 7.02 | 7.02 | 96.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 2099.8 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 1989.29 | ng.hr.mL-1 | Canis lupus familiaris |
| CL | 42.66 | uL.min-1.(10^6cells)-1 | Rattus norvegicus |
| CL | 3.0 | uL.min-1.(10^6cells)-1 | Homo sapiens |
| CL | 3.0 | mL.min-1.g-1 | Homo sapiens |
| F | 76.0 | % | Rattus norvegicus |
| F | 40.0 | % | Canis lupus familiaris |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hydroxycarboxylic acid receptor 2 | EC50 | = | 2.0 | nM | 8.7 | Agonist activity at human recombinant GPR109a expressed in CHO cells assessed as... | 24900372 |
| Unchecked | EC50 | = | 5.0 | nM | 8.3 | Agonist activity at dog GPR109a | 24900372 |
| Hydroxycarboxylic acid receptor 2 | EC50 | = | 6.0 | nM | 8.22 | Agonist activity at mouse GPR109a | 24900372 |
| Hydroxycarboxylic acid receptor 2 | EC50 | = | 8.0 | nM | 8.1 | Agonist activity at rat GPR109a | 24900372 |
| Hydroxycarboxylic acid receptor 3 | EC50 | = | 96.0 | nM | 7.02 | Agonist activity at human GPR109b | 24900372 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24900372 | 10.1021/ml200243g | Rattus norvegicus | 12 |
| 24900372 | 10.1021/ml200243g | Canis familiaris | 8 |
| - | 10.6019/CHEMBL3301361 | ADMET | 6 |
| 24900372 | 10.1021/ml200243g | Hydroxycarboxylic acid receptor 2 | 3 |
| 24900372 | 10.1021/ml200243g | Liver microsomes | 2 |
| 24900372 | 10.1021/ml200243g | Liver | 2 |
| 24900372 | 10.1021/ml200243g | Hydroxycarboxylic acid receptor 3 | 1 |
| 24900372 | 10.1021/ml200243g | Unchecked | 1 |
| 24900372 | 10.1021/ml200243g | Mus musculus | 1 |
| 24900372 | 10.1021/ml200243g | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 24900372 | 10.1021/ml200243g | Cytochrome P450 1A2 | 1 |
| 24900372 | 10.1021/ml200243g | Cytochrome P450 2C9 | 1 |
| 24900372 | 10.1021/ml200243g | Cytochrome P450 2D6 | 1 |
| 24900372 | 10.1021/ml200243g | Cytochrome P450 3A4 | 1 |
| 24900372 | 10.1021/ml200243g | Nuclear receptor subfamily 1 group I member 2 | 1 |
Data from ChEMBL 36 via Core Engine