Compound Detail
CHEMBL101797
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Basic Information
| ChEMBL ID | CHEMBL101797 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SEZFNTZQMWJIAI-DHZHZOJOSA-N |
6
Targets
8
Activities
2
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
210.2
MW (Da)
2.51
ALogP
1
HBA
2
HBD
44.9
PSA (Ų)
0.70
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 7.85
EC50 1 meas. best 6.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase SYK CHEMBL2599 | IC50 | 7.85 | 7.85 | 14.0 | 1 |
| RBL-2H3 CHEMBL614632 | EC50 | 6.5 | 6.5 | 313.0 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 6.41 | 6.41 | 390.0 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL3337 | IC50 | 6.41 | 6.41 | 389.1 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.31 | 5.1 | 4900.0 | 3 |
| Serine-protein kinase ATM CHEMBL3797 | IC50 | 4.92 | 4.92 | 12000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase SYK | IC50 | = | 14.0 | nM | 7.85 | Inhibition of Syk | 18077363 |
| RBL-2H3 | EC50 | = | 313.0 | nM | 6.5 | Inhibition of FcepsilonRI-mediated degranulation in rat RBL2H3 cells | 18077363 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 389.05 | nM | 6.41 | Inhibitory activity against vascular endothelial growth factor receptor 2 (FLK1) | 10956210 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 390.0 | nM | 6.41 | Inhibition of VEGFR2 | 18077363 |
| Unchecked | IC50 | = | 4900.0 | nM | 5.31 | Inhibition of Cdk4/cyclin D1 | 18077363 |
| Unchecked | IC50 | = | 10000.0 | nM | 5.0 | Inhibition of p33cdk2/cyclin E | 18077363 |
| Unchecked | IC50 | = | 10200.0 | nM | 4.99 | Inhibition of Cdk1/cyclin B | 18077363 |
| Serine-protein kinase ATM | IC50 | = | 12000.0 | nM | 4.92 | Inhibition of ATM | 18077363 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18077363 | 10.1073/pnas.0708800104 | Unchecked | 3 |
| 18077363 | 10.1073/pnas.0708800104 | Serine/threonine-protein kinase 26 | 2 |
| 18077363 | 10.1073/pnas.0708800104 | Ribosomal protein S6 kinase alpha-3 | 2 |
| 18077363 | 10.1073/pnas.0708800104 | Calcium/calmodulin-dependent protein kinase type II subunit gamma | 1 |
| 10956210 | 10.1021/jm990609e | Vascular endothelial growth factor receptor 2 | 1 |
| 18077363 | 10.1073/pnas.0708800104 | Tyrosine-protein kinase SYK | 1 |
| 18077363 | 10.1073/pnas.0708800104 | Serine/threonine-protein kinase Chk2 | 1 |
| 18077363 | 10.1073/pnas.0708800104 | Cyclin-dependent kinase-like 1 | 1 |
| 18077363 | 10.1073/pnas.0708800104 | Serine/threonine-protein kinase 25 | 1 |
| 18077363 | 10.1073/pnas.0708800104 | Cyclin-dependent kinase 2 | 1 |
| 18077363 | 10.1073/pnas.0708800104 | Calcium/calmodulin-dependent protein kinase kinase 2 | 1 |
| 18077363 | 10.1073/pnas.0708800104 | Calcium/calmodulin-dependent protein kinase type IV | 1 |
| 18077363 | 10.1073/pnas.0708800104 | Vascular endothelial growth factor receptor 2 | 1 |
| 18077363 | 10.1073/pnas.0708800104 | Calcium/calmodulin-dependent protein kinase type II subunit delta | 1 |
| 18077363 | 10.1073/pnas.0708800104 | Calcium/calmodulin-dependent protein kinase type II subunit beta | 1 |
| 18077363 | 10.1073/pnas.0708800104 | Calcium/calmodulin-dependent protein kinase type II subunit alpha | 1 |
| 18077363 | 10.1073/pnas.0708800104 | Calcium/calmodulin-dependent protein kinase type 1G | 1 |
| 18077363 | 10.1073/pnas.0708800104 | Calcium/calmodulin-dependent protein kinase type 1D | 1 |
| 18077363 | 10.1073/pnas.0708800104 | 5'-AMP-activated protein kinase catalytic subunit alpha-2 | 1 |
| 18077363 | 10.1073/pnas.0708800104 | RBL-2H3 | 1 |
Data from ChEMBL 36 via Core Engine