Compound Detail
CHEMBL318788
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Basic Information
| ChEMBL ID | CHEMBL318788 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SOHLANGNFXOOEF-GXDHUFHOSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
251.3
MW (Da)
3.19
ALogP
2
HBA
1
HBD
38.3
PSA (Ų)
0.83
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 CHEMBL3337 | IC50 | 5.12 | 5.12 | 7585.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 | IC50 | = | 7585.78 | nM | 5.12 | Inhibitory activity against vascular endothelial growth factor receptor 2 (FLK1) | 10956210 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19200740 | 10.1016/j.bmc.2008.12.052 | NAD(P)H dehydrogenase [quinone] 1 | 2 |
| 10956210 | 10.1021/jm990609e | Vascular endothelial growth factor receptor 2 | 1 |
| 19200740 | 10.1016/j.bmc.2008.12.052 | ADMET | 1 |
| 19200740 | 10.1016/j.bmc.2008.12.052 | Cytochrome P450 1A1 | 1 |
| 19200740 | 10.1016/j.bmc.2008.12.052 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine