Compound Detail
CHEMBL4639597
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Basic Information
| ChEMBL ID | CHEMBL4639597 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DHNJMMFFYFHIQA-NSHDSACASA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
448.4
MW (Da)
3.28
ALogP
6
HBA
3
HBD
110.2
PSA (Ų)
0.62
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Calcium/calmodulin-dependent protein kinase type 1D CHEMBL5073 | IC50 | 6.34 | 6.34 | 455.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Calcium/calmodulin-dependent protein kinase type 1D | IC50 | = | 455.0 | nM | 6.34 | Inhibition of recombinant human full-length His-tagged CAMK1D expressed in bacul... | 32433887 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32433887 | 10.1021/acs.jmedchem.9b01803 | Calcium/calmodulin-dependent protein kinase type 1D | 2 |
| 32433887 | 10.1021/acs.jmedchem.9b01803 | Tyrosine-protein kinase SYK | 1 |
| 32433887 | 10.1021/acs.jmedchem.9b01803 | Death-associated protein kinase 1 | 1 |
| 32433887 | 10.1021/acs.jmedchem.9b01803 | Casein kinase II subunit alpha | 1 |
| 32433887 | 10.1021/acs.jmedchem.9b01803 | Tyrosine-protein kinase ABL1 | 1 |
| 32433887 | 10.1021/acs.jmedchem.9b01803 | Serine/threonine-protein kinase pim-1 | 1 |
Data from ChEMBL 36 via Core Engine