Compound Detail
CHEMBL1987648
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Basic Information
| ChEMBL ID | CHEMBL1987648 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VIOYJEOXCCYVDO-UHFFFAOYSA-N |
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
406.5
MW (Da)
3.73
ALogP
7
HBA
2
HBD
88.2
PSA (Ų)
0.51
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 7.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Casein kinase I isoform delta CHEMBL2828 | Ki | 7.8 | 7.8 | 15.8 | 1 |
| Mitogen-activated protein kinase 9 CHEMBL4179 | Ki | 6.9 | 6.9 | 125.9 | 1 |
| LIM domain kinase 1 CHEMBL3836 | Ki | 6.7 | 6.7 | 199.5 | 1 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A CHEMBL2292 | Ki | 5.5 | 5.5 | 3162.3 | 1 |
| Ribosomal protein S6 kinase alpha-3 CHEMBL2345 | Ki | 5.1 | 5.1 | 7943.3 | 1 |
| Serine/threonine-protein kinase D2 CHEMBL4900 | Ki | 5.1 | 5.1 | 7943.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Casein kinase I isoform delta | Ki | = | 15.85 | nM | 7.8 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... | - |
| Mitogen-activated protein kinase 9 | Ki | = | 125.89 | nM | 6.9 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... | - |
| LIM domain kinase 1 | Ki | = | 199.53 | nM | 6.7 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... | - |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A | Ki | = | 3162.28 | nM | 5.5 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... | - |
| Serine/threonine-protein kinase D2 | Ki | = | 7943.28 | nM | 5.1 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... | - |
| Ribosomal protein S6 kinase alpha-3 | Ki | = | 7943.28 | nM | 5.1 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... | - |
Data from ChEMBL 36 via Core Engine