Compound Detail
CHEMBL4213875
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Basic Information
| ChEMBL ID | CHEMBL4213875 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LANLRMALKZMZCI-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
454.4
MW (Da)
2.67
ALogP
10
HBA
3
HBD
139.8
PSA (Ų)
0.33
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 4.57 | 4.57 | 26800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 26800.0 | nM | 4.57 | Antiviral activity against HIV1 3B infected in human MT4 cells assessed as inhib... | 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 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 |
| 28951095 | 10.1016/j.bmc.2017.09.006 | Human immunodeficiency virus type 1 integrase | 1 |
Data from ChEMBL 36 via Core Engine