Compound Detail
CHEMBL7078
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Basic Information
| ChEMBL ID | CHEMBL7078 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DLMIREIQJNSNMF-URXFXBBRSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
428.6
MW (Da)
4.29
ALogP
4
HBA
2
HBD
61.8
PSA (Ų)
0.45
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 7.86
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAS guanyl-releasing protein 1 CHEMBL3109 | Ki | 7.86 | 7.86 | 13.9 | 1 |
| Protein kinase C delta type CHEMBL2560 | Ki | 7.46 | 7.46 | 35.1 | 1 |
| Protein kinase C alpha type CHEMBL299 | Ki | 7.34 | 7.34 | 45.6 | 1 |
| Protein kinase C delta type CHEMBL2996 | Ki | 7.04 | 7.04 | 91.1 | 1 |
| Protein kinase C epsilon type CHEMBL3582 | Ki | 6.92 | 6.92 | 121.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAS guanyl-releasing protein 1 | Ki | = | 13.92 | nM | 7.86 | Binding affinity against RAS guanyl releasing protein using [3H]- PDBu as the la... | 11831896 |
| Protein kinase C delta type | Ki | = | 35.1 | nM | 7.46 | Displacement of [3H]- PDBu from Protein kinase C delta C1b domain | 11831896 |
| Protein kinase C alpha type | Ki | = | 45.6 | nM | 7.34 | Displacement phorbol 12,13-dibutyrate(PDBU) binding from recombinant Protein kin... | 11206480 |
| Protein kinase C delta type | Ki | = | 91.1 | nM | 7.04 | Binding affinity for protein kinase C delta | 11206480 |
| Protein kinase C epsilon type | Ki | = | 121.3 | nM | 6.92 | Binding affinity for protein kinase C epsilon | 11206480 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11206480 | 10.1016/s0960-894x(00)00609-0 | Protein kinase C alpha type | 1 |
| 11206480 | 10.1016/s0960-894x(00)00609-0 | Protein kinase C delta type | 1 |
| 11206480 | 10.1016/s0960-894x(00)00609-0 | Protein kinase C epsilon type | 1 |
| 11831896 | 10.1021/jm010422z | RAS guanyl-releasing protein 1 | 1 |
| 11831896 | 10.1021/jm010422z | Protein kinase C delta type | 1 |
Data from ChEMBL 36 via Core Engine