Compound Detail
CHEMBL1987359
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Basic Information
| ChEMBL ID | CHEMBL1987359 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZFMQMTAMXRLLHN-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
355.4
MW (Da)
2.23
ALogP
5
HBA
3
HBD
81.7
PSA (Ų)
0.47
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 7.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dual specificity tyrosine-phosphorylation-regulated kinase 3 CHEMBL4575 | Ki | 7.4 | 7.4 | 39.8 | 1 |
| Ephrin type-A receptor 2 CHEMBL2068 | Ki | 5.7 | 5.7 | 1995.3 | 1 |
| Casein kinase II subunit alpha CHEMBL3629 | Ki | 5.7 | 5.7 | 1995.3 | 1 |
| Ribosomal protein S6 kinase beta-1 CHEMBL4501 | Ki | 5.4 | 5.4 | 3981.1 | 1 |
| Vascular endothelial growth factor receptor 3 CHEMBL1955 | Ki | 5.2 | 5.2 | 6309.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dual specificity tyrosine-phosphorylation-regulated kinase 3 | Ki | = | 39.81 | nM | 7.4 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... | - |
| Casein kinase II subunit alpha | Ki | = | 1995.26 | nM | 5.7 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... | - |
| Ephrin type-A receptor 2 | Ki | = | 1995.26 | nM | 5.7 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... | - |
| Ribosomal protein S6 kinase beta-1 | Ki | = | 3981.07 | nM | 5.4 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... | - |
| Vascular endothelial growth factor receptor 3 | Ki | = | 6309.57 | nM | 5.2 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... | - |
Data from ChEMBL 36 via Core Engine