Compound Detail
CHEMBL31977
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Basic Information
| ChEMBL ID | CHEMBL31977 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UZQLDBWLAOCBOO-VOTSOKGWSA-N |
1
Targets
1
Activities
1
Assay Types
4
PK Parameters
3
Publications
0
Known Names
Molecular Properties
345.8
MW (Da)
4.42
ALogP
2
HBA
1
HBD
38.3
PSA (Ų)
0.81
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | IC50 | 7.34 | 7.34 | 46.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 17564.1 | ng.hr.mL-1 | Macaca mulatta |
| Cmax | 2360.0 | nM | - |
| T1/2 | 16.0 | - | Macaca mulatta |
| Tmax | 11.0 | hr | - |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 46.0 | nM | 7.34 | Compound was evaluated for its ability to inhibit HIV-1 Reverse Transcriptase in... | 11378361 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11378361 | 10.1016/s0960-894x(01)00239-6 | Human immunodeficiency virus type 1 reverse transcriptase | 3 |
| 11378361 | 10.1016/s0960-894x(01)00239-6 | Rhesus monkey | 3 |
| 11378361 | 10.1016/s0960-894x(01)00239-6 | ADMET | 2 |
Data from ChEMBL 36 via Core Engine