Compound Detail
CHEMBL292392
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Cc1cn(C2CC(N=[N+]=[N-])C(CO)O2)c(=O)n(CCC(=O)NCCCCCCCCCCN)c1=O
Basic Information
| ChEMBL ID | CHEMBL292392 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CYOVYLCAGFUBBU-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
493.6
MW (Da)
1.86
ALogP
9
HBA
3
HBD
177.3
PSA (Ų)
0.14
QED
0
Ro5 Violations
16
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 4.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ADMET CHEMBL612558 | EC50 | 4.4 | 4.4 | 40000.0 | 1 |
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | EC50 | 4.38 | 4.38 | 42000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ADMET | EC50 | = | 40000.0 | nM | 4.4 | Effective concentration required to achieve 50% inhibition of HIV-1 IIIB multipl... | 10821705 |
| Human immunodeficiency virus type 1 reverse transcriptase | EC50 | = | 42000.0 | nM | 4.38 | Effective concentration required to achieve 50% inhibition of HIV-1 LAI replicat... | 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 |
Data from ChEMBL 36 via Core Engine