Compound Detail
CHEMBL2010871
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CCCn1c2ccc(Nc3ncccn3)cc2c2c3c(c4c(c21)CCc1nn(C)cc1-4)C(=O)NC3
Basic Information
| ChEMBL ID | CHEMBL2010871 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WYSZBXFHTCNTGP-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
1
PK Parameters
5
Publications
0
Known Names
Molecular Properties
463.6
MW (Da)
4.48
ALogP
7
HBA
2
HBD
89.7
PSA (Ų)
0.41
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 8.22 | 8.22 | 6.0 | 1 |
| Angiopoietin-1 receptor CHEMBL4128 | IC50 | 7.57 | 7.57 | 27.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| F | 22.0 | % | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 | IC50 | = | 6.0 | nM | 8.22 | Inhibition of human recombinant VEGF-R2 expressed in baculovirus expression syst... | 22148921 |
| Angiopoietin-1 receptor | IC50 | = | 27.0 | nM | 7.57 | Inhibition of human recombinant Tie2 expressed in baculovirus expression system ... | 22148921 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22148921 | 10.1021/jm201449n | Liver | 4 |
| 22148921 | 10.1021/jm201449n | Vascular endothelial growth factor receptor 2 | 2 |
| 22148921 | 10.1021/jm201449n | ADMET | 1 |
| 22148921 | 10.1021/jm201449n | Angiopoietin-1 receptor | 1 |
| 22148921 | 10.1021/jm201449n | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine