Compound Detail
CHEMBL2004443
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 | CHEMBL2004443 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HNZBELVVHGZHII-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
323.3
MW (Da)
3.63
ALogP
3
HBA
1
HBD
50.2
PSA (Ų)
0.61
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 7.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase pim-1 CHEMBL2147 | Ki | 7.3 | 7.3 | 50.1 | 1 |
| Cell division cycle 7-related protein kinase CHEMBL5443 | Ki | 7.3 | 7.3 | 50.1 | 1 |
| Dual specificity protein kinase CLK4 CHEMBL4203 | Ki | 6.8 | 6.8 | 158.5 | 1 |
| Homeodomain-interacting protein kinase 2 CHEMBL4576 | Ki | 6.7 | 6.7 | 199.5 | 1 |
| Glycogen synthase kinase-3 beta CHEMBL262 | Ki | 6.3 | 6.3 | 501.2 | 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 | = | 50.12 | nM | 7.3 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... | - |
| Serine/threonine-protein kinase pim-1 | Ki | = | 50.12 | nM | 7.3 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... | - |
| Dual specificity protein kinase CLK4 | Ki | = | 158.49 | nM | 6.8 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... | - |
| Homeodomain-interacting protein kinase 2 | Ki | = | 199.53 | nM | 6.7 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... | - |
| Glycogen synthase kinase-3 beta | Ki | = | 501.19 | nM | 6.3 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... | - |
Data from ChEMBL 36 via Core Engine