Compound Detail
CHEMBL3808681
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CC(=O)c1cc2cc(CCc3cc(NC(=O)c4ccc(CN5CCN(C)CC5)cc4)ccc3C)cnc2[nH]1
Basic Information
| ChEMBL ID | CHEMBL3808681 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PEDOJUZYPQTWRA-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
509.6
MW (Da)
4.86
ALogP
5
HBA
2
HBD
81.3
PSA (Ų)
0.33
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.93
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HUVEC CHEMBL613979 | EC50 | 6.93 | 6.93 | 118.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HUVEC | EC50 | = | 118.0 | nM | 6.93 | Antiangiogenic activity in HUVEC after 72 hrs by MTT assay | 27010810 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27010810 | 10.1021/acs.jmedchem.6b00087 | HepG2 | 1 |
| 27010810 | 10.1021/acs.jmedchem.6b00087 | HUVEC | 1 |
| 27010810 | 10.1021/acs.jmedchem.6b00087 | Fibroblast growth factor receptor 2 | 1 |
| 27010810 | 10.1021/acs.jmedchem.6b00087 | Serine/threonine-protein kinase B-raf | 1 |
| 27010810 | 10.1021/acs.jmedchem.6b00087 | Epidermal growth factor receptor | 1 |
| 27010810 | 10.1021/acs.jmedchem.6b00087 | Platelet-derived growth factor receptor alpha | 1 |
| 27010810 | 10.1021/acs.jmedchem.6b00087 | Proto-oncogene tyrosine-protein kinase Src | 1 |
| 27010810 | 10.1021/acs.jmedchem.6b00087 | Vascular endothelial growth factor receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine