Compound Detail
CHEMBL1162296
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Basic Information
| ChEMBL ID | CHEMBL1162296 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PUSXDQXVJDGIBK-NKWVEPMBSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
315.2
MW (Da)
0.20
ALogP
8
HBA
3
HBD
145.6
PSA (Ų)
0.67
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | Kd | 7.0 | 7.0 | 100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase | Kd | = | 100.0 | nM | 7.0 | Binding affinity to ternary complex of HIV1 reverse transcriptase with primer/te... | 17517852 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17517852 | 10.1128/aac.00314-07 | Human immunodeficiency virus type 1 reverse transcriptase | 5 |
| 34695774 | 10.1016/j.ejmech.2021.113914 | ADMET | 2 |
Data from ChEMBL 36 via Core Engine