Compound Detail
CHEMBL89447
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Basic Information
| ChEMBL ID | CHEMBL89447 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GCMLYCFXOXELDY-RQJHMYQMSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
244.3
MW (Da)
-0.57
ALogP
6
HBA
2
HBD
84.3
PSA (Ų)
0.73
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 4.94
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 4.94 | 4.94 | 11600.0 | 1 |
| ADMET CHEMBL612558 | EC50 | 4.19 | 4.19 | 64400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 11600.0 | nM | 4.94 | Concentration required for antiviral activity in PBMC (human peripheral blood mo... | 8410975 |
| ADMET | EC50 | = | 64400.0 | nM | 4.19 | Compound was tested for its anti-HIV activity against HIV-1 LAI in human periphe... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8410975 | 10.1021/jm00070a006 | Human immunodeficiency virus 1 | 2 |
| - | 10.1016/S0960-894X(01)81256-7 | ADMET | 2 |
| 8410975 | 10.1021/jm00070a006 | Vero | 1 |
| - | 10.1016/S0960-894X(01)81256-7 | MT4 | 1 |
| - | 10.1016/S0960-894X(01)81256-7 | HepG2 | 1 |
| - | 10.1016/S0960-894X(01)81256-7 | Vero | 1 |
Data from ChEMBL 36 via Core Engine