Compound Detail
CHEMBL270875
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Basic Information
| ChEMBL ID | CHEMBL270875 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | APYXQTXFRIDSGE-UHFFFAOYSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
384.4
MW (Da)
3.04
ALogP
4
HBA
3
HBD
92.9
PSA (Ų)
0.46
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 7.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.58 | 7.165 | 26.0 | 2 |
| Calcium/calmodulin-dependent protein kinase type II subunit delta CHEMBL2801 | IC50 | 6.42 | 6.42 | 380.0 | 3 |
| cAMP-dependent protein kinase (PKA) CHEMBL2094138 | IC50 | 6.3 | 6.3 | 500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 26.0 | nM | 7.58 | Inhibition of bovine brain PKC in presence of [p32-gamma]-ATP measured after 10 ... | 1874734 |
| Unchecked | IC50 | = | 180.0 | nM | 6.75 | Inhibition of Phosphorylase kinase in rabbit muscle tissue in presence of [p32-g... | 1874734 |
| Calcium/calmodulin-dependent protein kinase type II subunit delta | IC50 | = | 380.0 | nM | 6.42 | Inhibition of CaMK2delta | 18334294 |
| Calcium/calmodulin-dependent protein kinase type II subunit delta | IC50 | = | 380.0 | nM | 6.42 | Inhibition of CaMK2delta | 18334295 |
| Calcium/calmodulin-dependent protein kinase type II subunit delta | IC50 | = | 380.0 | nM | 6.42 | Inhibition of CaMK2delta | 18337095 |
| cAMP-dependent protein kinase (PKA) | IC50 | = | 500.0 | nM | 6.3 | Inhibition of PKA (unknown origin) | 1874734 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10998351 | 10.1042/0264-6021:3510095 | Unchecked | 5 |
| 1874734 | 10.1016/s0021-9258(18)98476-0 | Unchecked | 2 |
| 10998351 | 10.1042/0264-6021:3510095 | MAP kinase-activated protein kinase 2 | 1 |
| 10998351 | 10.1042/0264-6021:3510095 | Rho-associated protein kinase 2 | 1 |
| 10998351 | 10.1042/0264-6021:3510095 | Glycogen synthase kinase-3 beta | 1 |
| 10998351 | 10.1042/0264-6021:3510095 | Ribosomal protein S6 kinase beta-1 | 1 |
| 10998351 | 10.1042/0264-6021:3510095 | Serine/threonine-protein kinase Sgk1 | 1 |
| 10998351 | 10.1042/0264-6021:3510095 | RAC-alpha serine/threonine-protein kinase | 1 |
| 10998351 | 10.1042/0264-6021:3510095 | [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial | 1 |
| 10998351 | 10.1042/0264-6021:3510095 | Protein kinase C alpha type | 1 |
| 10998351 | 10.1042/0264-6021:3510095 | MAP kinase-activated protein kinase 5 | 1 |
| 10998351 | 10.1042/0264-6021:3510095 | Ribosomal protein S6 kinase alpha-5 | 1 |
| 18334294 | 10.1016/j.bmcl.2008.02.059 | Calcium/calmodulin-dependent protein kinase type II subunit delta | 1 |
| 10998351 | 10.1042/0264-6021:3510095 | Mitogen-activated protein kinase 13 | 1 |
| 10998351 | 10.1042/0264-6021:3510095 | Mitogen-activated protein kinase 12 | 1 |
| 10998351 | 10.1042/0264-6021:3510095 | Mitogen-activated protein kinase 11 | 1 |
| 10998351 | 10.1042/0264-6021:3510095 | Mitogen-activated protein kinase 14 | 1 |
| 10998351 | 10.1042/0264-6021:3510095 | Mitogen-activated protein kinase 8 | 1 |
| 10998351 | 10.1042/0264-6021:3510095 | Mitogen-activated protein kinase 1 | 1 |
| 18337095 | 10.1016/j.bmcl.2008.02.057 | Calcium/calmodulin-dependent protein kinase type II subunit delta | 1 |
Data from ChEMBL 36 via Core Engine