Compound Detail
CHEMBL1774080
PF-00217830 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL1774080 |
| Name | PF-00217830 |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | QGNOXTFZOLDODX-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
10
PK Parameters
7
Publications
3
Known Names
1
Indications
1
Mechanisms
Molecular Properties
430.6
MW (Da)
4.10
ALogP
5
HBA
1
HBD
57.7
PSA (Ų)
0.57
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Dopamine D2 receptor partial agonist | PARTIAL AGONIST | D(2) dopamine receptor | ✓ | ✓ |
Indications
Schizophrenia
Activity Summary
Ki 3 meas. best 9.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 9.85 | 9.85 | 0.1 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 9.09 | 9.09 | 0.8 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 8.43 | 8.43 | 3.7 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 14.9 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 5.8 | mL.min-1.kg-1 | Macaca mulatta |
| Cmax | 469.17 | nM | Rattus norvegicus |
| Cmax | 222.97 | nM | Macaca mulatta |
| F | 19.2 | % | Rattus norvegicus |
| F | 20.5 | % | Macaca mulatta |
| T1/2 | 6.8 | hr | Rattus norvegicus |
| T1/2 | 13.6 | hr | Macaca mulatta |
| Tmax | 1.2 | hr | Rattus norvegicus |
| Tmax | 5.0 | hr | Macaca mulatta |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A | Ki | = | 0.14 | nM | 9.85 | Binding affinity to human 5HT2A receptor | 21353774 |
| D(2) dopamine receptor | Ki | = | 0.81 | nM | 9.09 | Displacement of [3H]Spiperone from human dopamine D2L receptor expressed in CHO ... | 21353774 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 3.7 | nM | 8.43 | Displacement of [3H]-8-OH-DPAT from human 5HT1A receptor expressed in HeLa cells | 21353774 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21353774 | 10.1016/j.bmcl.2011.01.059 | Rattus norvegicus | 9 |
| 21353774 | 10.1016/j.bmcl.2011.01.059 | Mus musculus | 6 |
| 21353774 | 10.1016/j.bmcl.2011.01.059 | Rhesus monkey | 6 |
| 21353774 | 10.1016/j.bmcl.2011.01.059 | D(2) dopamine receptor | 2 |
| 21353774 | 10.1016/j.bmcl.2011.01.059 | 5-hydroxytryptamine receptor 1A | 2 |
| 21353774 | 10.1016/j.bmcl.2011.01.059 | Unchecked | 1 |
| 21353774 | 10.1016/j.bmcl.2011.01.059 | 5-hydroxytryptamine receptor 2A | 1 |
Data from ChEMBL 36 via Core Engine