Compound Detail
CHEMBL57690
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Basic Information
| ChEMBL ID | CHEMBL57690 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IJAJKPWVXDRQIB-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
248.3
MW (Da)
3.28
ALogP
4
HBA
1
HBD
50.7
PSA (Ų)
0.77
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Homo sapiens CHEMBL372 | IC50 | 6.05 | 6.05 | 900.0 | 1 |
| Tyrosine-protein kinase ABL1 CHEMBL1862 | IC50 | 5.75 | 5.75 | 1800.0 | 1 |
| Protein kinase C alpha type CHEMBL299 | IC50 | 4.98 | 4.98 | 10500.0 | 1 |
| Protein kinase C delta type CHEMBL2996 | IC50 | 4.41 | 4.41 | 39000.0 | 1 |
| Epidermal growth factor receptor CHEMBL203 | IC50 | 4.0 | 4.0 | 100000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Homo sapiens | IC50 | = | 900.0 | nM | 6.05 | In vitro inhibition of histamine release from human basophils | 8410986 |
| Tyrosine-protein kinase ABL1 | IC50 | = | 1800.0 | nM | 5.75 | Inhibition of v-Abl tyrosine kinase. | - |
| Protein kinase C alpha type | IC50 | = | 10500.0 | nM | 4.98 | Inhibition of protein kinase C alpha. | - |
| Protein kinase C delta type | IC50 | = | 39000.0 | nM | 4.41 | Inhibition of protein kinase C delta. | - |
| Epidermal growth factor receptor | IC50 | = | 100000.0 | nM | 4.0 | Inhibition of the epidermal growth factor receptor. | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8410986 | 10.1021/jm00071a002 | Homo sapiens | 1 |
| - | 10.1016/S0960-894X(96)00601-4 | Tyrosine-protein kinase ABL1 | 1 |
| - | 10.1016/S0960-894X(96)00601-4 | Epidermal growth factor receptor | 1 |
| - | 10.1016/S0960-894X(96)00601-4 | Proto-oncogene tyrosine-protein kinase Src | 1 |
| - | 10.1016/S0960-894X(96)00601-4 | Platelet-derived growth factor receptor | 1 |
| - | 10.1016/S0960-894X(96)00601-4 | cAMP-dependent protein kinase (PKA) | 1 |
| - | 10.1016/S0960-894X(96)00601-4 | Protein kinase C alpha type | 1 |
| - | 10.1016/S0960-894X(96)00601-4 | Protein kinase C delta type | 1 |
Data from ChEMBL 36 via Core Engine