Compound Detail
CHEMBL280541
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Basic Information
| ChEMBL ID | CHEMBL280541 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ATCRIOJPQXDFNY-ZETCQYMHSA-N |
2
Targets
11
Activities
1
Assay Types
11
PK Parameters
4
Publications
0
Known Names
Molecular Properties
306.8
MW (Da)
3.71
ALogP
6
HBA
1
HBD
77.8
PSA (Ų)
0.45
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 11 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | IC50 | 9.0 | 7.398 | 1.0 | 5 |
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | IC50 | 7.77 | 7.4 | 17.0 | 6 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Cmax | 123000.0 | nM | Rattus norvegicus |
| Cmax | 52000.0 | nM | Rattus norvegicus |
| Cmax | 103000.0 | nM | Rattus norvegicus |
| F | 94.0 | % | Rattus norvegicus |
| F | 94.0 | % | Rattus norvegicus |
| T1/2 | 0.7 | hr | Rattus norvegicus |
| T1/2 | 0.78 | hr | Rattus norvegicus |
| T1/2 | 1.5 | hr | Rattus norvegicus |
| Tmax | 0.033 | hr | Rattus norvegicus |
| Tmax | 1.4 | hr | Rattus norvegicus |
| Tmax | 3.8 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9554867 | 10.1021/jm9801049 | Rattus norvegicus | 13 |
| 9554867 | 10.1021/jm9801049 | Human immunodeficiency virus type 1 reverse transcriptase | 6 |
| 9554867 | 10.1021/jm9801049 | Human immunodeficiency virus 1 | 5 |
| 9554867 | 10.1021/jm9801049 | ADMET | 2 |
Data from ChEMBL 36 via Core Engine