Compound Detail
CHEMBL1972849
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Basic Information
| ChEMBL ID | CHEMBL1972849 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KOZOJNNVQMRVIW-UHFFFAOYSA-N |
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
410.4
MW (Da)
3.25
ALogP
8
HBA
1
HBD
93.8
PSA (Ų)
0.49
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Misshapen-like kinase 1 CHEMBL5518 | Ki | 7.0 | 7.0 | 100.0 | 1 |
| Mitogen-activated protein kinase kinase kinase kinase 4 CHEMBL6166 | Ki | 6.7 | 6.7 | 199.5 | 1 |
| Epidermal growth factor receptor CHEMBL203 | Ki | 6.1 | 6.1 | 794.3 | 1 |
| Serine/threonine-protein kinase D3 CHEMBL2595 | Ki | 6.0 | 6.0 | 1000.0 | 1 |
| Serine/threonine-protein kinase D2 CHEMBL4900 | Ki | 5.4 | 5.4 | 3981.1 | 1 |
| Casein kinase I isoform delta CHEMBL2828 | Ki | 5.3 | 5.3 | 5011.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Misshapen-like kinase 1 | Ki | = | 100.0 | nM | 7.0 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... | - |
| Mitogen-activated protein kinase kinase kinase kinase 4 | Ki | = | 199.53 | nM | 6.7 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... | - |
| Epidermal growth factor receptor | Ki | = | 794.33 | nM | 6.1 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... | - |
| Serine/threonine-protein kinase D3 | Ki | = | 1000.0 | nM | 6.0 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... | - |
| Serine/threonine-protein kinase D2 | Ki | = | 3981.07 | nM | 5.4 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... | - |
| Casein kinase I isoform delta | Ki | = | 5011.87 | nM | 5.3 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... | - |
Data from ChEMBL 36 via Core Engine