Compound Detail
CHEMBL108078
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Basic Information
| ChEMBL ID | CHEMBL108078 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FSSMMXGYUTZUEJ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
349.9
MW (Da)
4.93
ALogP
4
HBA
1
HBD
21.1
PSA (Ų)
0.62
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MT4 CHEMBL388 | IC50 | 7.92 | 7.92 | 12.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MT4 | IC50 | = | 12.0 | nM | 7.92 | Ability to block replication of HIV-1 virus in mock infected MT-4 cells | 1956037 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1956037 | 10.1021/jm00115a007 | MT4 | 1 |
| - | 10.1007/s00044-011-9742-x | Human immunodeficiency virus type 1 reverse transcriptase | 1 |
Data from ChEMBL 36 via Core Engine