Compound Detail
CHEMBL2373140
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Cl.Cl.Cl.Cl.[Zn+2].[Zn+2].c1cc(CN2CCCNCCNCCCNCC2)ccc1CN1CCCNCCNCCCNCC1
Basic Information
| ChEMBL ID | CHEMBL2373140 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KVKILUCFEXFKLE-UHFFFAOYSA-N |
| Parent Compound | CHEMBL18442 |
| Active Moiety | CHEMBL18442 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
502.8
MW (Da)
0.42
ALogP
8
HBA
6
HBD
78.7
PSA (Ų)
0.35
QED
2
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 8.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 2 CHEMBL380 | EC50 | 8.62 | 8.62 | 2.4 | 1 |
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 8.48 | 8.48 | 3.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 2 | EC50 | = | 2.4 | nM | 8.62 | Concentration required to protect the virus infected cells against viral cytopat... | 7830280 |
| Human immunodeficiency virus 1 | EC50 | = | 3.3 | nM | 8.48 | Concentration required to protect the virus infected cells against viral cytopat... | 7830280 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7830280 | 10.1021/jm00002a019 | Human immunodeficiency virus 1 | 1 |
| 7830280 | 10.1021/jm00002a019 | Human immunodeficiency virus 2 | 1 |
| 7830280 | 10.1021/jm00002a019 | MT4 | 1 |
Data from ChEMBL 36 via Core Engine