Compound Detail
CHEMBL4217571
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Basic Information
| ChEMBL ID | CHEMBL4217571 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HGCIROZSRNROLU-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
425.4
MW (Da)
3.27
ALogP
9
HBA
2
HBD
110.8
PSA (Ų)
0.40
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 5.02 | 5.02 | 9500.0 | 1 |
| Human immunodeficiency virus 2 CHEMBL380 | EC50 | 4.84 | 4.84 | 14600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 9500.0 | nM | 5.02 | Antiviral activity against HIV1 3B infected in human MT4 cells assessed as inhib... | 28951095 |
| Human immunodeficiency virus 2 | EC50 | = | 14600.0 | nM | 4.84 | Antiviral activity against HIV2 ROD 3B infected in human MT4 cells assessed as i... | 28951095 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28951095 | 10.1016/j.bmc.2017.09.006 | Unchecked | 2 |
| 28951095 | 10.1016/j.bmc.2017.09.006 | Human immunodeficiency virus type 1 integrase | 2 |
| 28951095 | 10.1016/j.bmc.2017.09.006 | Human immunodeficiency virus 1 | 1 |
| 28951095 | 10.1016/j.bmc.2017.09.006 | Human immunodeficiency virus 2 | 1 |
| 28951095 | 10.1016/j.bmc.2017.09.006 | MT4 | 1 |
Data from ChEMBL 36 via Core Engine