Compound Detail
CHEMBL1938400
PF-03715455 🧪 Phase II
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🧪 Phase II
CC(C)(C)c1cc(NC(=O)NCc2ccccc2Sc2ccc3nnc(-c4ccccc4SCCO)n3c2)n(-c2ccc(O)c(Cl)c2)n1
Basic Information
| ChEMBL ID | CHEMBL1938400 |
| Name | PF-03715455 |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | VGEXRDWWPSGZDH-UHFFFAOYSA-N |
5
Targets
8
Activities
2
Assay Types
11
PK Parameters
20
Publications
2
Known Names
2
Indications
1
Mechanisms
Molecular Properties
700.3
MW (Da)
7.80
ALogP
10
HBA
4
HBD
129.6
PSA (Ų)
0.11
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| MAP kinase p38 alpha inhibitor | INHIBITOR | Mitogen-activated protein kinase 14 | ✓ | ✓ |
Indications
Asthma Pulmonary Disease, Chronic Obstructive
Activity Summary
IC50 7 meas. best 9.06
Kd 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| PBMC CHEMBL613107 | IC50 | 9.06 | 8.915 | 0.9 | 2 |
| Misshapen-like kinase 1 CHEMBL5518 | IC50 | 8.22 | 8.22 | 6.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 8.1 | 6.51 | 8.0 | 2 |
| Mitogen-activated protein kinase 11 CHEMBL3961 | IC50 | 7.64 | 7.64 | 23.0 | 1 |
| Vascular endothelial growth factor receptor 1 CHEMBL1868 | IC50 | 6.05 | 6.05 | 890.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 33000.0 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 15000.0 | mL.min-1.kg-1 | Canis lupus familiaris |
| CL | 33.8 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 13.1 | mL.min-1.kg-1 | Canis lupus familiaris |
| CL | 25.12 | uL.min-1.(10^6cells)-1 | Homo sapiens |
| CL | 70.79 | uL.min-1.(10^6cells)-1 | Rattus norvegicus |
| CL | 150.0 | mL.min-1.g-1 | Homo sapiens |
| F | 5.0 | % | Rattus norvegicus |
| T1/2 | 1.0 | hr | Rattus norvegicus |
| T1/2 | 0.5 | hr | Canis lupus familiaris |
| T1/2 | 80.0 | hr | - |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| PBMC | IC50 | = | 0.88 | nM | 9.06 | Antiinflammatory activity in LPS-stimulated human isolated PBMC assessed as inhi... | 21888439 |
| PBMC | IC50 | = | 1.7 | nM | 8.77 | Antiinflammatory activity in LPS-stimulated human isolated PBMC assessed as inhi... | 21888439 |
| Misshapen-like kinase 1 | IC50 | = | 6.0 | nM | 8.22 | Inhibition of MINK | 21888439 |
| Unchecked | IC50 | = | 8.0 | nM | 8.1 | Inhibition of LPS-stimulated TNFalpha release in human PBMC cells preincubated f... | 35546685 |
| Mitogen-activated protein kinase 11 | IC50 | = | 23.0 | nM | 7.64 | Inhibition of p38beta MAPK | 21888439 |
| Vascular endothelial growth factor receptor 1 | IC50 | = | 890.0 | nM | 6.05 | Inhibition of human VEGFR1 | 21888439 |
| Unchecked | IC50 | = | 12000.0 | nM | 4.92 | Inhibition of N-type calcium channel | 21888439 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21888439 | 10.1021/jm200677b | Rattus norvegicus | 14 |
| 21888439 | 10.1021/jm200677b | Canis familiaris | 4 |
| - | 10.6019/CHEMBL3301361 | ADMET | 4 |
| 21888439 | 10.1021/jm200677b | Liver microsomes | 4 |
| 21888439 | 10.1021/jm200677b | Plasma | 3 |
| 21888439 | 10.1021/jm200677b | Mitogen-activated protein kinase 14 | 3 |
| 21888439 | 10.1021/jm200677b | No relevant target | 3 |
| 21888439 | 10.1021/jm200677b | PBMC | 2 |
| 21888439 | 10.1021/jm200677b | Cytochrome P450 3A4 | 2 |
| 21888439 | 10.1021/jm200677b | Unchecked | 2 |
| 21888439 | 10.1021/jm200677b | Misshapen-like kinase 1 | 1 |
| 21888439 | 10.1021/jm200677b | c-Jun N-terminal kinase, JNK | 1 |
| 21888439 | 10.1021/jm200677b | Mitogen-activated protein kinase 11 | 1 |
| 21888439 | 10.1021/jm200677b | ADMET | 1 |
| 21888439 | 10.1021/jm200677b | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 21888439 | 10.1021/jm200677b | Cytochrome P450 1A2 | 1 |
| 21888439 | 10.1021/jm200677b | Cytochrome P450 2C19 | 1 |
| 21888439 | 10.1021/jm200677b | Cytochrome P450 2D6 | 1 |
| 21888439 | 10.1021/jm200677b | Cytochrome P450 2C9 | 1 |
| 21888439 | 10.1021/jm200677b | Vascular endothelial growth factor receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine