Compound Detail
CHEMBL2114369
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Basic Information
| ChEMBL ID | CHEMBL2114369 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QCTDQQNLOPRRMO-VFZGTOFNSA-N |
1
Targets
2
Activities
1
Assay Types
4
PK Parameters
4
Publications
0
Known Names
Molecular Properties
343.7
MW (Da)
3.87
ALogP
2
HBA
1
HBD
38.3
PSA (Ų)
0.73
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | IC50 | 7.09 | 7.09 | 82.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 10311.9 | ng.hr.mL-1 | Macaca mulatta |
| Cmax | 1670.0 | nM | - |
| T1/2 | - | - | Macaca mulatta |
| Tmax | 6.0 | 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 | = | 82.0 | nM | 7.09 | Compound was evaluated for its ability to inhibit HIV-1 Reverse Transcriptase in... | 11378361 |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 82.0 | nM | 7.09 | Inhibition of HIV1 reverse transcriptase | 26708112 |
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 |
| 26708112 | 10.1016/j.ejmech.2015.11.025 | Human immunodeficiency virus type 1 reverse transcriptase | 1 |
Data from ChEMBL 36 via Core Engine