Compound Detail
CHEMBL1990708
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Basic Information
| ChEMBL ID | CHEMBL1990708 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IKIFANJBLBFWHU-UHFFFAOYSA-N |
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
284.3
MW (Da)
1.26
ALogP
6
HBA
1
HBD
89.3
PSA (Ų)
0.73
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cell division cycle 7-related protein kinase CHEMBL5443 | Ki | 8.3 | 8.3 | 5.0 | 1 |
| Dual specificity protein kinase CLK4 CHEMBL4203 | Ki | 7.6 | 7.6 | 25.1 | 1 |
| Homeodomain-interacting protein kinase 2 CHEMBL4576 | Ki | 7.3 | 7.3 | 50.1 | 1 |
| Glycogen synthase kinase-3 beta CHEMBL262 | Ki | 6.5 | 6.5 | 316.2 | 1 |
| Rho-associated protein kinase 2 CHEMBL2973 | Ki | 5.7 | 5.7 | 1995.3 | 1 |
| Serine/threonine-protein kinase pim-1 CHEMBL2147 | Ki | 5.5 | 5.5 | 3162.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cell division cycle 7-related protein kinase | Ki | = | 5.012 | nM | 8.3 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... | - |
| Dual specificity protein kinase CLK4 | Ki | = | 25.12 | nM | 7.6 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... | - |
| Homeodomain-interacting protein kinase 2 | Ki | = | 50.12 | nM | 7.3 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... | - |
| Glycogen synthase kinase-3 beta | Ki | = | 316.23 | nM | 6.5 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... | - |
| Rho-associated protein kinase 2 | Ki | = | 1995.26 | nM | 5.7 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... | - |
| Serine/threonine-protein kinase pim-1 | Ki | = | 3162.28 | nM | 5.5 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... | - |
Data from ChEMBL 36 via Core Engine