Compound Detail
CHEMBL1485263
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 | CHEMBL1485263 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CJNKBAKWQGYGIS-VQHVLOKHSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
265.3
MW (Da)
3.59
ALogP
3
HBA
1
HBD
63.3
PSA (Ų)
0.73
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase TBK1 CHEMBL5408 | IC50 | 6.36 | 6.36 | 440.0 | 1 |
| Inositol hexakisphosphate kinase 2 CHEMBL4523488 | IC50 | 6.24 | 6.24 | 580.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.11 | 6.11 | 770.0 | 1 |
| Inositol hexakisphosphate kinase 1 CHEMBL4523418 | IC50 | 6.07 | 6.07 | 860.0 | 1 |
| Inositol hexakisphosphate kinase 3 CHEMBL4523431 | IC50 | 5.51 | 5.51 | 3080.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase TBK1 | IC50 | = | 440.0 | nM | 6.36 | High-Throughput Assay: Please see Hutti, et al., (2012). Development of a High-T... | - |
| Inositol hexakisphosphate kinase 2 | IC50 | = | 580.0 | nM | 6.24 | Inhibition of N-terminal 6His-tagged/TEV cleavage site fused recombinant human I... | 35467861 |
| Unchecked | IC50 | = | 770.0 | nM | 6.11 | High-Throughput Assay: Please see Hutti, et al., (2012). Development of a High-T... | - |
| Inositol hexakisphosphate kinase 1 | IC50 | = | 860.0 | nM | 6.07 | Inhibition of N-terminal 6His-MBP-tagged recombinant human IP6K1 expressed in Es... | 35467861 |
| Inositol hexakisphosphate kinase 3 | IC50 | = | 3080.0 | nM | 5.51 | Inhibition of N-terminal 6His-sumo-tagged recombinant human IP6K3 expressed in E... | 35467861 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35467861 | 10.1021/acs.jmedchem.2c00220 | Inositol hexakisphosphate kinase 1 | 1 |
| 35467861 | 10.1021/acs.jmedchem.2c00220 | Inositol hexakisphosphate kinase 2 | 1 |
| 35467861 | 10.1021/acs.jmedchem.2c00220 | Inositol hexakisphosphate kinase 3 | 1 |
| 35467861 | 10.1021/acs.jmedchem.2c00220 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine