Compound Detail
CHEMBL3633460
PF-06282999 Phase I
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Phase I
Basic Information
| ChEMBL ID | CHEMBL3633460 |
| Name | PF-06282999 |
| Phase | Phase I |
| Structure Type | MOL |
| InChI Key | ICYNYWFGIDGBRD-UHFFFAOYSA-N |
3
Targets
6
Activities
3
Assay Types
22
PK Parameters
20
Publications
1
Known Names
Molecular Properties
325.8
MW (Da)
1.72
ALogP
5
HBA
2
HBD
90.1
PSA (Ų)
0.84
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Activity Summary
IC50 4 meas. best 6.73
EC50 1 meas. best 5.42
Ki 1 meas. best 6.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Myeloperoxidase CHEMBL2439 | IC50 | 6.73 | 5.6333 | 187.0 | 3 |
| Myeloperoxidase CHEMBL2439 | Ki | 6.5 | 6.5 | 316.2 | 1 |
| Thyroid peroxidase CHEMBL1839 | IC50 | 6.0 | 6.0 | 990.0 | 1 |
| Cynomolgus monkey CHEMBL613847 | EC50 | 5.42 | 5.42 | 3800.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 8000.0 | mL.min-1.g-1 | Homo sapiens |
| CL | 41.8 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 3.39 | mL.min-1.kg-1 | Canis lupus familiaris |
| CL | 10.1 | mL.min-1.kg-1 | Mus musculus |
| CL | 10.3 | mL.min-1.kg-1 | Macaca fascicularis |
| F | 100.0 | % | Mus musculus |
| F | 76.0 | % | Macaca fascicularis |
| F | 86.0 | % | Rattus norvegicus |
| F | 75.0 | % | Canis lupus familiaris |
| Fu | 0.451 | - | Mus musculus |
| Fu | 0.447 | - | Rattus norvegicus |
| Fu | 0.46 | - | Canis lupus familiaris |
| Fu | 0.536 | - | Macaca mulatta |
| Fu | 0.376 | - | Homo sapiens |
| T1/2 | 1.36 | hr | Mus musculus |
| T1/2 | 3.28 | hr | Macaca fascicularis |
| T1/2 | 0.75 | hr | Rattus norvegicus |
| T1/2 | 2.2 | hr | Canis lupus familiaris |
| Tmax | 1.0 | hr | Mus musculus |
| Tmax | 1.5 | hr | Macaca fascicularis |
| Tmax | 0.78 | hr | Rattus norvegicus |
| Tmax | 0.7 | hr | Canis lupus familiaris |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Myeloperoxidase | IC50 | = | 187.0 | nM | 6.73 | Inhibition of MPO (unknown origin) measured after 15 mins in presence of H2O2 by... | 36005476 |
| Myeloperoxidase | Ki | = | 316.23 | nM | 6.5 | Inhibition of peroxidase activity of MPO isolated from human polynuclear leukocy... | 26509551 |
| Thyroid peroxidase | IC50 | = | 990.0 | nM | 6.0 | Inhibition of human recombinant TPO (1 to 839 residues) expressed in baculovirus... | 36005476 |
| Myeloperoxidase | IC50 | = | 1900.0 | nM | 5.72 | Irreversible inhibition of MPO in LPS-stimulated human whole blood after 4 hrs b... | 26509551 |
| Cynomolgus monkey | EC50 | = | 3800.0 | nM | 5.42 | In vivo inhibition of MPO in LPS-stimulated po dosed cynomolgous monkey administ... | 26509551 |
| Myeloperoxidase | IC50 | = | 35500.0 | nM | 4.45 | Inhibition of MPO in human HL-60 cells measured after 15 mins in presence of H2O... | 36005476 |
Literature References
Data from ChEMBL 36 via Core Engine