Compound Detail
CHEMBL5177952
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Basic Information
| ChEMBL ID | CHEMBL5177952 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZHRKMTLVKUCRFN-PTNGSMBKSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
15
Publications
0
Known Names
Molecular Properties
293.3
MW (Da)
2.63
ALogP
4
HBA
2
HBD
62.7
PSA (Ų)
0.86
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.51
EC50 1 meas. best 5.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase pim-1 CHEMBL2147 | IC50 | 5.51 | 5.51 | 3100.0 | 1 |
| Dual specificity protein kinase CLK4 CHEMBL1075283 | IC50 | 5.3 | 5.3 | 5000.0 | 1 |
| HT-22 CHEMBL614316 | EC50 | 5.14 | 5.14 | 7200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase pim-1 | IC50 | = | 3100.0 | nM | 5.51 | Inhibition of human recombinant Pim1 expressed in Escherichia coli using histone... | 34928152 |
| Dual specificity protein kinase CLK4 | IC50 | = | 5000.0 | nM | 5.3 | Inhibition of GST-fused mouse recombinant CLK4 expressed in Escherichia coli usi... | 34928152 |
| HT-22 | EC50 | = | 7200.0 | nM | 5.14 | Neuroprotective activity against glutamate-induced cell death in mouse HT-22 cel... | 34928152 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34928152 | 10.1021/acs.jmedchem.1c01141 | Dual specificity tyrosine-phosphorylation-regulated kinase 1A | 2 |
| 34928152 | 10.1021/acs.jmedchem.1c01141 | Unchecked | 2 |
| 34928152 | 10.1021/acs.jmedchem.1c01141 | Dual specificity protein kinase CLK4 | 1 |
| 34928152 | 10.1021/acs.jmedchem.1c01141 | Dual specificity protein kinase CLK3 | 1 |
| 34928152 | 10.1021/acs.jmedchem.1c01141 | Dual specificity protein kinase CLK1 | 1 |
| 34928152 | 10.1021/acs.jmedchem.1c01141 | Dual specificity protein kinase CLK2 | 1 |
| 34928152 | 10.1021/acs.jmedchem.1c01141 | Dual specificity tyrosine-phosphorylation-regulated kinase 1B | 1 |
| 34928152 | 10.1021/acs.jmedchem.1c01141 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 | 1 |
| 34928152 | 10.1021/acs.jmedchem.1c01141 | Dual specificity tyrosine-phosphorylation-regulated kinase 3 | 1 |
| 34928152 | 10.1021/acs.jmedchem.1c01141 | Glycogen synthase kinase-3 | 1 |
| 34928152 | 10.1021/acs.jmedchem.1c01141 | Serine/threonine-protein kinase pim-1 | 1 |
| 34928152 | 10.1021/acs.jmedchem.1c01141 | Casein kinase 2 | 1 |
| 34928152 | 10.1021/acs.jmedchem.1c01141 | ADMET | 1 |
| 34928152 | 10.1021/acs.jmedchem.1c01141 | HT-22 | 1 |
| 34928152 | 10.1021/acs.jmedchem.1c01141 | Cannabinoid receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine