Compound Detail
CHEMBL137117
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Basic Information
| ChEMBL ID | CHEMBL137117 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CAWSQNIRLHLLOF-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
300.4
MW (Da)
4.13
ALogP
4
HBA
1
HBD
45.6
PSA (Ų)
0.92
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MT4 CHEMBL388 | IC50 | 8.4 | 7.5 | 4.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MT4 | IC50 | = | 4.0 | nM | 8.4 | Anti-HIV-1 activity against LAI strain in MT-4 cells by the MTT method | 14643315 |
| MT4 | IC50 | = | 50.0 | nM | 7.3 | Anti-HIV-1 activity against K103N strain in MT-4 cells by the MTT method | 14643315 |
| MT4 | IC50 | = | 158.0 | nM | 6.8 | Anti-HIV-1 activity against Y181C strain, in MT-4 cells by the MTT method | 14643315 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14643315 | 10.1016/j.bmcl.2003.09.045 | MT4 | 3 |
| 14643315 | 10.1016/j.bmcl.2003.09.045 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine