Compound Detail
CHEMBL269264
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Basic Information
| ChEMBL ID | CHEMBL269264 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UQHKJRCFSLMWIA-UHFFFAOYSA-N |
5
Targets
7
Activities
2
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
398.5
MW (Da)
3.05
ALogP
5
HBA
2
HBD
82.0
PSA (Ų)
0.51
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 7.12
Kd 1 meas. best 7.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase pim-1 CHEMBL2147 | Kd | 7.92 | 7.92 | 12.0 | 1 |
| Protein kinase C (PKC) CHEMBL2094266 | IC50 | 7.12 | 7.12 | 75.0 | 1 |
| Protein kinase C, PKC; classical CHEMBL2097168 | IC50 | 7.12 | 7.12 | 75.0 | 1 |
| Calcium/calmodulin-dependent protein kinase type II subunit delta CHEMBL2801 | IC50 | 6.51 | 6.51 | 310.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 5.28 | 5.28 | 5200.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase pim-1 | Kd | = | 12.0 | nM | 7.92 | Binding affinity to non phosphorylated PIM1 | 16302800 |
| Protein kinase C, PKC; classical | IC50 | = | 75.0 | nM | 7.12 | Inhibition of protein kinase C was evaluated as Inhibitory concentration | 8421286 |
| Protein kinase C (PKC) | IC50 | = | 75.0 | nM | 7.12 | Inhibition of protein kinase C (PKC) in rat brain | 1552513 |
| Calcium/calmodulin-dependent protein kinase type II subunit delta | IC50 | = | 310.0 | nM | 6.51 | Inhibition of CaMK2delta | 18334294 |
| Calcium/calmodulin-dependent protein kinase type II subunit delta | IC50 | = | 310.0 | nM | 6.51 | Inhibition of CaMK2delta | 18334295 |
| Unchecked | IC50 | = | 5200.0 | nM | 5.28 | Inhibition of protein kinase A was evaluated as Inhibitory concentration | 8421286 |
| Unchecked | IC50 | = | 5200.0 | nM | 5.28 | Inhibition of c-AMP dependent protein kinase A (PKA) in bovine heart | 1552513 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10998351 | 10.1042/0264-6021:3510095 | Unchecked | 5 |
| 16302800 | 10.1021/jm0504858 | Serine/threonine-protein kinase pim-1 | 4 |
| 10998351 | 10.1042/0264-6021:3510095 | Mitogen-activated protein kinase 14 | 1 |
| 10998351 | 10.1042/0264-6021:3510095 | Serine/threonine-protein kinase Chk1 | 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 |
| 10998351 | 10.1042/0264-6021:3510095 | MAP kinase-activated protein kinase 2 | 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 |
| 8421286 | 10.1021/jm00053a003 | Protein kinase C, PKC; classical | 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 |
| 18334295 | 10.1016/j.bmcl.2008.02.058 | Calcium/calmodulin-dependent protein kinase type II subunit delta | 1 |
| 18334294 | 10.1016/j.bmcl.2008.02.059 | Calcium/calmodulin-dependent protein kinase type II subunit delta | 1 |
| 1552513 | 10.1021/jm00084a004 | Unchecked | 1 |
| 1552513 | 10.1021/jm00084a004 | Protein kinase C (PKC) | 1 |
Data from ChEMBL 36 via Core Engine