Compound Detail
CHEMBL2151415
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Basic Information
| ChEMBL ID | CHEMBL2151415 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | URLJNGHIJZMXTK-UHFFFAOYSA-N |
7
Targets
8
Activities
1
Assay Types
6
PK Parameters
13
Publications
0
Known Names
Molecular Properties
438.5
MW (Da)
2.10
ALogP
7
HBA
2
HBD
92.2
PSA (Ų)
0.48
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 8 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein kinase C delta type CHEMBL2996 | IC50 | 9.0 | 9.0 | 1.0 | 1 |
| Protein kinase C theta type CHEMBL3920 | IC50 | 8.92 | 8.92 | 1.2 | 1 |
| Protein kinase C alpha type CHEMBL299 | IC50 | 8.85 | 8.85 | 1.4 | 1 |
| Protein kinase C beta type CHEMBL3045 | IC50 | 8.85 | 8.85 | 1.4 | 1 |
| Protein kinase C eta type CHEMBL3616 | IC50 | 8.48 | 8.48 | 3.3 | 1 |
| Protein kinase C epsilon type CHEMBL3582 | IC50 | 8.42 | 8.42 | 3.8 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 7.0 | 6.71 | 99.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 1729.0 | ng/g.hr | Rattus norvegicus |
| CL | 25.0 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 112.0 | mL.min-1.g-1 | Rattus norvegicus |
| F | 24.0 | % | Rattus norvegicus |
| T1/2 | 4.6 | hr | Rattus norvegicus |
| Tmax | 0.5 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein kinase C delta type | IC50 | = | 1.0 | nM | 9.0 | Inhibition of PKCdelta by scintillation proximity assay | 21797275 |
| Protein kinase C theta type | IC50 | = | 1.2 | nM | 8.92 | Inhibition of PKCtheta by scintillation proximity assay | 21797275 |
| Protein kinase C alpha type | IC50 | = | 1.4 | nM | 8.85 | Inhibition of PKCalpha by scintillation proximity assay | 21797275 |
| Protein kinase C beta type | IC50 | = | 1.4 | nM | 8.85 | Inhibition of PKCbeta-1 by scintillation proximity assay | 21797275 |
| Protein kinase C eta type | IC50 | = | 3.3 | nM | 8.48 | Inhibition of PKCeta by scintillation proximity assay | 21797275 |
| Protein kinase C epsilon type | IC50 | = | 3.8 | nM | 8.42 | Inhibition of PKCepsilon by scintillation proximity assay | 21797275 |
| NON-PROTEIN TARGET | IC50 | = | 99.0 | nM | 7.0 | Immunosuppressive activity in human lymphocytes assessed as alloantigen-induced ... | 21797275 |
| NON-PROTEIN TARGET | IC50 | = | 378.0 | nM | 6.42 | Immunosuppressive activity in mouse lymphocytes assessed as alloantigen-induced ... | 21797275 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21797275 | 10.1021/jm200469u | Rattus norvegicus | 8 |
| 21797275 | 10.1021/jm200469u | No relevant target | 6 |
| 21797275 | 10.1021/jm200469u | NON-PROTEIN TARGET | 2 |
| 21797275 | 10.1021/jm200469u | Protein kinase C alpha type | 1 |
| 21797275 | 10.1021/jm200469u | Protein kinase C beta type | 1 |
| 21797275 | 10.1021/jm200469u | Protein kinase C delta type | 1 |
| 21797275 | 10.1021/jm200469u | Protein kinase C epsilon type | 1 |
| 21797275 | 10.1021/jm200469u | Protein kinase C eta type | 1 |
| 21797275 | 10.1021/jm200469u | Protein kinase C theta type | 1 |
| 21797275 | 10.1021/jm200469u | ADMET | 1 |
| 21797275 | 10.1021/jm200469u | Caco-2 | 1 |
| 21797275 | 10.1021/jm200469u | MDCK | 1 |
| 21797275 | 10.1021/jm200469u | Liver microsomes | 1 |
Data from ChEMBL 36 via Core Engine