Compound Detail
CHEMBL4471416
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Basic Information
| ChEMBL ID | CHEMBL4471416 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YDMJAALVMGFGRY-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
2
PK Parameters
4
Publications
0
Known Names
Molecular Properties
374.4
MW (Da)
2.39
ALogP
6
HBA
3
HBD
96.2
PSA (Ų)
0.65
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein kinase C iota type CHEMBL2598 | IC50 | 6.47 | 6.47 | 340.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 71.0 | mL.min-1.g-1 | Mus musculus |
| CL | 5.1 | mL.min-1.g-1 | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein kinase C iota type | IC50 | = | 340.0 | nM | 6.47 | Inhibition of recombinant human full length N-terminal GST-fused PKCi (1 to 587 ... | 30891133 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30891133 | 10.1021/acsmedchemlett.8b00546 | ADMET | 3 |
| 30891133 | 10.1021/acsmedchemlett.8b00546 | No relevant target | 1 |
| 30891133 | 10.1021/acsmedchemlett.8b00546 | Huh-7 | 1 |
| 30891133 | 10.1021/acsmedchemlett.8b00546 | Protein kinase C iota type | 1 |
Data from ChEMBL 36 via Core Engine