Compound Detail
CHEMBL7264
ATEVIRDINE SULPHATE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL7264 |
| Name | ATEVIRDINE SULPHATE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HKPKBPALSLUFFM-UHFFFAOYSA-N |
| Parent Compound | CHEMBL280527 |
| Active Moiety | CHEMBL280527 |
1
Targets
3
Activities
1
Assay Types
14
PK Parameters
13
Publications
0
Known Names
Molecular Properties
379.5
MW (Da)
2.97
ALogP
5
HBA
2
HBD
73.5
PSA (Ų)
0.71
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | IC50 | 5.64 | 5.52 | 2300.0 | 3 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 13.0 | mL.min-1.kg-1 | Rattus norvegicus |
| Cmax | 16000.0 | nM | Canis lupus familiaris |
| Cmax | 4600.0 | nM | Rattus norvegicus |
| Cmax | 4600.0 | nM | Rattus norvegicus |
| Cmax | 16000.0 | nM | Canis lupus familiaris |
| F | 50.0 | % | Canis lupus familiaris |
| F | 62.0 | % | Rattus norvegicus |
| F | 75.0 | % | Rattus norvegicus |
| F | 62.0 | % | Rattus norvegicus |
| F | 50.0 | % | Canis lupus familiaris |
| Tmax | 1.0 | hr | Canis lupus familiaris |
| Tmax | 0.5 | hr | Rattus norvegicus |
| Tmax | 0.5 | hr | Rattus norvegicus |
| Tmax | 1.0 | hr | Canis lupus familiaris |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 2300.0 | nM | 5.64 | In vitro inhibition of recombinant reverse transcriptase (WT) of HIV-1 IIIB | 8809165 |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 2300.0 | nM | 5.64 | Inhibition of wild type recombinant HIV1 reverse transcriptase using poly(rA)-ol... | 30516990 |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 5200.0 | nM | 5.28 | Inhibitory activity was evaluated in vitro against HIV- I reverse transcriptase ... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30516990 | 10.1021/acs.jmedchem.8b00843 | ADMET | 6 |
| 7512142 | 10.1021/jm00033a018 | Rattus norvegicus | 4 |
| 7512142 | 10.1021/jm00033a018 | Canis familiaris | 3 |
| 8809165 | 10.1021/jm960158n | Human immunodeficiency virus type 1 reverse transcriptase | 3 |
| 7512142 | 10.1021/jm00033a018 | MT2 | 2 |
| 7512142 | 10.1021/jm00033a018 | Unchecked | 2 |
| 8809165 | 10.1021/jm960158n | Rattus norvegicus | 2 |
| - | 10.1016/0960-894X(95)00311-G | Human immunodeficiency virus type 1 reverse transcriptase | 2 |
| 7512142 | 10.1021/jm00033a018 | Human immunodeficiency virus type 1 reverse transcriptase | 1 |
| 7512142 | 10.1021/jm00033a018 | Human immunodeficiency virus 1 | 1 |
| - | 10.1016/0960-894X(95)00311-G | Human immunodeficiency virus 1 | 1 |
| 30516990 | 10.1021/acs.jmedchem.8b00843 | Human immunodeficiency virus type 1 reverse transcriptase | 1 |
| 30516990 | 10.1021/acs.jmedchem.8b00843 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine