Compound Detail
CHEMBL3586678
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 | CHEMBL3586678 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IAIPAOKEDSWUEQ-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
464.5
MW (Da)
2.33
ALogP
9
HBA
2
HBD
110.1
PSA (Ų)
0.53
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 5.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| DNA-dependent protein kinase catalytic subunit CHEMBL3142 | Ki | 5.89 | 5.89 | 1300.0 | 1 |
| High affinity nerve growth factor receptor CHEMBL2815 | Ki | 5.44 | 5.44 | 3600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| DNA-dependent protein kinase catalytic subunit | Ki | = | 1300.0 | nM | 5.89 | Inhibition of DNAPK (unknown origin) using ATP and PPLSQEAFADLWKKK substrate by ... | 26121481 |
| High affinity nerve growth factor receptor | Ki | = | 3600.0 | nM | 5.44 | Inhibition of TRKA (unknown origin) using ATP and polyE4Y substrate by radiometr... | 26121481 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26121481 | 10.1021/acs.jmedchem.5b00498 | Unchecked | 3 |
| 26121481 | 10.1021/acs.jmedchem.5b00498 | High affinity nerve growth factor receptor | 1 |
| 26121481 | 10.1021/acs.jmedchem.5b00498 | Proto-oncogene tyrosine-protein kinase Src | 1 |
| 26121481 | 10.1021/acs.jmedchem.5b00498 | Mast/stem cell growth factor receptor Kit | 1 |
| 26121481 | 10.1021/acs.jmedchem.5b00498 | Vascular endothelial growth factor receptor 2 | 1 |
| 26121481 | 10.1021/acs.jmedchem.5b00498 | Glycogen synthase kinase-3 beta | 1 |
| 26121481 | 10.1021/acs.jmedchem.5b00498 | Tyrosine-protein kinase JAK2 | 1 |
| 26121481 | 10.1021/acs.jmedchem.5b00498 | Receptor-type tyrosine-protein kinase FLT3 | 1 |
| 26121481 | 10.1021/acs.jmedchem.5b00498 | DNA-dependent protein kinase catalytic subunit | 1 |
| 26121481 | 10.1021/acs.jmedchem.5b00498 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 1 |
Data from ChEMBL 36 via Core Engine