Compound Detail
CHEMBL3810275
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
COC(=O)c1cc2cc(NCc3cc(NC(=O)c4ccc(CN5CCC(N(C)C)C5)c(C(F)(F)F)c4)ccc3C)cnc2[nH]1
Basic Information
| ChEMBL ID | CHEMBL3810275 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DWLCBHORSWVXNK-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
608.7
MW (Da)
5.68
ALogP
7
HBA
3
HBD
102.6
PSA (Ų)
0.21
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.17
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HepG2 | EC50 | = | 673.0 | nM | 6.17 | Antiproliferative activity against human HepG2 cells after 72 hrs by MTT assay | 27010810 |
| HUVEC | EC50 | = | 689.0 | nM | 6.16 | Antiangiogenic activity in HUVEC after 72 hrs by MTT assay | 27010810 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 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 |
| 27010810 | 10.1021/acs.jmedchem.6b00087 | HepG2 | 1 |
Data from ChEMBL 36 via Core Engine