Compound Detail
CHEMBL47617
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Basic Information
| ChEMBL ID | CHEMBL47617 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MQDMMKWCYLAEMP-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
421.5
MW (Da)
2.76
ALogP
7
HBA
2
HBD
104.7
PSA (Ų)
0.63
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 5.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 5.7 | 4.895 | 2000.0 | 2 |
| Human betaherpesvirus 5 CHEMBL371 | EC50 | 4.43 | 4.43 | 36700.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 2000.0 | nM | 5.7 | In vitro antiviral activity against HIV-1 IIIB in C8166 (human CD4) cells. | 11020296 |
| Human betaherpesvirus 5 | EC50 | = | 36700.0 | nM | 4.43 | Antiviral activity against human cytomegalovirus AD169 infected in human HFF ass... | 20194695 |
| Human betaherpesvirus 5 | EC50 | = | 36700.0 | nM | 4.43 | Antiviral activity against Human cytomegalovirus AD169 infected in human foreski... | 19015358 |
| Human immunodeficiency virus 1 | EC50 | = | 82000.0 | nM | 4.09 | Antiviral activity determined against herpes simplex virus type 1 (HSV-1) in ver... | 11020296 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11020296 | 10.1021/jm9903390 | Human immunodeficiency virus 1 | 4 |
| 9171879 | 10.1021/jm960385p | Staphylococcus epidermidis | 2 |
| 7699714 | 10.1021/jm00006a017 | Escherichia coli | 2 |
| 9171879 | 10.1021/jm960385p | Staphylococcus aureus | 2 |
| 9171879 | 10.1021/jm960385p | Escherichia coli | 2 |
| 11020296 | 10.1021/jm9903390 | C8166 | 2 |
| 7699714 | 10.1021/jm00006a017 | Staphylococcus epidermidis | 2 |
| 7699714 | 10.1021/jm00006a017 | Staphylococcus aureus | 2 |
| 7699714 | 10.1021/jm00006a017 | Pseudomonas aeruginosa | 1 |
| 7699714 | 10.1021/jm00006a017 | Enterococcus faecalis | 1 |
| 7699714 | 10.1021/jm00006a017 | Shigella | 1 |
| 7699714 | 10.1021/jm00006a017 | Klebsiella pneumoniae | 1 |
| 7699714 | 10.1021/jm00006a017 | Providencia stuartii | 1 |
| 9171879 | 10.1021/jm960385p | Enterobacter cloacae | 1 |
| 9171879 | 10.1021/jm960385p | Acinetobacter calcoaceticus | 1 |
| 9171879 | 10.1021/jm960385p | Providencia stuartii | 1 |
| 9171879 | 10.1021/jm960385p | Klebsiella pneumoniae | 1 |
| 9171879 | 10.1021/jm960385p | Shigella | 1 |
| 19015358 | 10.1128/aac.00988-08 | Unchecked | 1 |
| 7699714 | 10.1021/jm00006a017 | Acinetobacter calcoaceticus | 1 |
Data from ChEMBL 36 via Core Engine