Compound Detail
CHEMBL418279
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL418279 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MBAORQXUHJBLIE-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
385.4
MW (Da)
4.67
ALogP
5
HBA
2
HBD
79.8
PSA (Ų)
0.52
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase ABL1 CHEMBL1862 | IC50 | 6.7 | 6.7 | 200.0 | 1 |
| Bcr/Abl fusion protein CHEMBL2096618 | IC50 | 6.7 | 6.7 | 199.5 | 1 |
| Platelet-derived growth factor receptor CHEMBL2095189 | IC50 | 5.52 | 5.52 | 3000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase ABL1 | IC50 | = | 200.0 | nM | 6.7 | Inhibition of v-Abl tyrosine kinase. | - |
| Bcr/Abl fusion protein | IC50 | = | 199.53 | nM | 6.7 | Inhibition of BCR-ABL kinase (unknown origin) | 23473682 |
| Platelet-derived growth factor receptor | IC50 | = | 3000.0 | nM | 5.52 | Inhibition of the platelet-derived growth factor receptor. | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 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 |
| 23473682 | 10.1016/j.bmcl.2013.01.113 | Bcr/Abl fusion protein | 1 |
Data from ChEMBL 36 via Core Engine