Compound Detail
CHEMBL4575134
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CC[C@H]1C[C@H]2C[N@]3CCc4c([nH]c5ccc(OC)cc45)[C@](C(=O)OC)(C2)[C@H]13
Basic Information
| ChEMBL ID | CHEMBL4575134 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MMAYTCMMKJYIAM-PHKAQXKASA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
368.5
MW (Da)
3.26
ALogP
4
HBA
1
HBD
54.6
PSA (Ų)
0.85
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.58
IC50 1 meas. best 5.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| dengue virus type 2 CHEMBL613966 | EC50 | 5.58 | 5.58 | 2600.0 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| dengue virus type 2 | EC50 | = | 2600.0 | nM | 5.58 | Antiviral activity against DENV2 | 31128447 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 10000.0 | nM | 5.0 | Inhibition of VEGFR2 phosphorylation in VEGF-induced HUVEC cells pretreated meas... | 34730352 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34730352 | 10.1021/acs.jmedchem.1c01168 | Vascular endothelial growth factor receptor 2 | 2 |
| 31128447 | 10.1016/j.ejmech.2019.05.010 | dengue virus type 2 | 1 |
| 32356659 | 10.1021/acs.jnatprod.9b00856 | HeLa | 1 |
| 28628823 | 10.1016/j.ejmech.2017.06.005 | Mycobacterium sp. | 1 |
Data from ChEMBL 36 via Core Engine