Compound Detail
CHEMBL5267842
PALTUSOTINE 🧪 Phase III
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🧪 Phase III
Basic Information
| ChEMBL ID | CHEMBL5267842 |
| Name | PALTUSOTINE |
| Phase | Phase III |
| Structure Type | MOL |
| InChI Key | GHILNKWBALQPDP-UHFFFAOYSA-N |
6
Targets
7
Activities
2
Assay Types
12
PK Parameters
14
Publications
3
Known Names
3
Indications
1
Mechanisms
Molecular Properties
456.5
MW (Da)
5.35
ALogP
5
HBA
2
HBD
86.2
PSA (Ų)
0.43
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Somatostatin receptor 2 agonist | AGONIST | Somatostatin receptor type 2 | ✓ | ✓ |
Indications
Acromegaly Malignant Carcinoid Syndrome Neuroendocrine Tumors
Activity Summary
EC50 5 meas. best 9.6
IC50 2 meas. best 5.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Somatostatin receptor type 2 CHEMBL1804 | EC50 | 9.6 | 9.6 | 0.2 | 2 |
| Somatostatin receptor type 2 CHEMBL2978 | EC50 | 8.92 | 8.92 | 1.2 | 1 |
| Somatostatin receptor type 2 CHEMBL5291563 | EC50 | 8.18 | 8.18 | 6.6 | 1 |
| Somatostatin receptor type 4 CHEMBL1853 | EC50 | 6.0 | 6.0 | 1000.0 | 1 |
| Cytochrome P450 2C19 CHEMBL3622 | IC50 | 5.3 | 5.3 | 5011.9 | 1 |
| Cytochrome P450 2C9 CHEMBL3397 | IC50 | 5.1 | 5.1 | 7943.3 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 1610.0 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 10430.0 | ng.hr.mL-1 | Canis lupus familiaris |
| CL | 9.1 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 9.4 | mL.min-1.kg-1 | Canis lupus familiaris |
| Cmax | 282.58 | nM | Rattus norvegicus |
| Cmax | 2994.52 | nM | Canis lupus familiaris |
| F | 8.8 | % | Rattus norvegicus |
| F | 48.0 | % | Canis lupus familiaris |
| T1/2 | 1.1 | hr | Homo sapiens |
| T1/2 | 3.85 | hr | Rattus norvegicus |
| T1/2 | 2.8 | hr | Rattus norvegicus |
| T1/2 | 7.5 | hr | Canis lupus familiaris |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Somatostatin receptor type 2 | EC50 | = | 0.25 | nM | 9.6 | Agonist activity at human SST2 receptor expressed in CHO-K1 cells assessed as in... | 36655128 |
| Somatostatin receptor type 2 | EC50 | = | 0.2512 | nM | 9.6 | Agonist activity at human SST2 receptor expressed in CHO-K1 cells assessed as in... | 36655128 |
| Somatostatin receptor type 2 | EC50 | = | 1.2 | nM | 8.92 | Agonist activity at rat SST2 receptor | 36655128 |
| Somatostatin receptor type 2 | EC50 | = | 6.6 | nM | 8.18 | Agonist activity at dog SST2 receptor | 36655128 |
| Somatostatin receptor type 4 | EC50 | = | 1000.0 | nM | 6.0 | Agonist activity at human SST4 receptor expressed in CHO-K1 cells assessed as in... | 36655128 |
| Cytochrome P450 2C19 | IC50 | = | 5011.87 | nM | 5.3 | Inhibition of human CYP2C19 expressed in insect cell microsomes in presence of N... | 36655128 |
| Cytochrome P450 2C9 | IC50 | = | 7943.28 | nM | 5.1 | Inhibition of human CYP2C9 expressed in insect cell microsomes in presence of NA... | 36655128 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36655128 | 10.1021/acsmedchemlett.2c00431 | ADMET | 16 |
| 36655128 | 10.1021/acsmedchemlett.2c00431 | Rattus norvegicus | 6 |
| 36655128 | 10.1021/acsmedchemlett.2c00431 | Somatostatin receptor type 2 | 4 |
| 36655128 | 10.1021/acsmedchemlett.2c00431 | Unchecked | 4 |
| 36655128 | 10.1021/acsmedchemlett.2c00431 | Cytochrome P450 2C9 | 2 |
| 36655128 | 10.1021/acsmedchemlett.2c00431 | Cytochrome P450 2C19 | 2 |
| 36655128 | 10.1021/acsmedchemlett.2c00431 | Cytochrome P450 2D6 | 2 |
| 36655128 | 10.1021/acsmedchemlett.2c00431 | Cytochrome P450 3A4 | 2 |
| 36655128 | 10.1021/acsmedchemlett.2c00431 | Canis familiaris | 2 |
| 36655128 | 10.1021/acsmedchemlett.2c00431 | Somatostatin receptor type 1 | 1 |
| 36655128 | 10.1021/acsmedchemlett.2c00431 | Somatostatin receptor type 3 | 1 |
| 36655128 | 10.1021/acsmedchemlett.2c00431 | Somatostatin receptor type 4 | 1 |
| 36655128 | 10.1021/acsmedchemlett.2c00431 | Somatostatin receptor type 5 | 1 |
| 36655128 | 10.1021/acsmedchemlett.2c00431 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
Data from ChEMBL 36 via Core Engine