Compound Detail
CHEMBL58213
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Basic Information
| ChEMBL ID | CHEMBL58213 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IIQFZHAETGKTMI-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
390.5
MW (Da)
3.21
ALogP
6
HBA
1
HBD
81.2
PSA (Ų)
0.43
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 7.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | EC50 | 7.6 | 7.6 | 25.0 | 1 |
| ADMET CHEMBL612558 | EC50 | 6.75 | 6.75 | 180.0 | 1 |
| MT4 CHEMBL388 | EC50 | 6.48 | 6.48 | 330.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase | EC50 | = | 25.0 | nM | 7.6 | Effective concentration required to achieve 50% inhibition of HIV-1 LAI replicat... | 10821705 |
| ADMET | EC50 | = | 180.0 | nM | 6.75 | Effective concentration required to achieve 50% inhibition of HIV-1 IIIB multipl... | 10821705 |
| MT4 | EC50 | = | 330.0 | nM | 6.48 | Effective concentration required to achieve 50% inhibition of HIV-1 IIIB multipl... | 10821705 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10821705 | 10.1021/jm991125l | ADMET | 3 |
| 10821705 | 10.1021/jm991125l | Human immunodeficiency virus type 1 reverse transcriptase | 2 |
| 10821705 | 10.1021/jm991125l | MT4 | 2 |
| 10821705 | 10.1021/jm991125l | CEM-SS | 1 |
Data from ChEMBL 36 via Core Engine