Compound Detail
CHEMBL2418598
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Basic Information
| ChEMBL ID | CHEMBL2418598 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HKJPDDUTSRMQLV-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
507.6
MW (Da)
4.49
ALogP
9
HBA
2
HBD
108.2
PSA (Ų)
0.38
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 8.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 8.55 | 7.11 | 2.8 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 2.8 | nM | 8.55 | Antiviral activity against wild type HIV1 3B infected in human MT2 cells assesse... | 23937980 |
| Human immunodeficiency virus 1 | EC50 | = | 150.0 | nM | 6.82 | Antiviral activity against HIV1 3B harboring reverse transcriptase K103N/Y181C d... | 23937980 |
| Human immunodeficiency virus 1 | EC50 | = | 1100.0 | nM | 5.96 | Antiviral activity against HIV1 3B harboring reverse transcriptase Y181C mutant ... | 23937980 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23937980 | 10.1016/j.bmcl.2013.06.091 | Human immunodeficiency virus 1 | 3 |
| 23937980 | 10.1016/j.bmcl.2013.06.091 | MT2 | 1 |
Data from ChEMBL 36 via Core Engine