Compound Detail
CHEMBL518108
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Basic Information
| ChEMBL ID | CHEMBL518108 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PDDXWOMYBJCSQB-NWDGAFQWSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
386.4
MW (Da)
4.18
ALogP
6
HBA
1
HBD
66.4
PSA (Ų)
0.85
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.62
IC50 1 meas. best 4.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 5.62 | 5.62 | 2400.0 | 1 |
| H9 CHEMBL614806 | IC50 | 4.33 | 4.33 | 47100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 2400.0 | nM | 5.62 | Antiviral activity against HIV1 3B in H9 cells after 4 days by p24-antigen ELISA | 17190445 |
| H9 | IC50 | = | 47100.0 | nM | 4.33 | Cytotoxicity against human H9 cells after 4 days | 17190445 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17190445 | 10.1021/np060239e | Human immunodeficiency virus 1 | 1 |
| 17190445 | 10.1021/np060239e | H9 | 1 |
| 17190445 | 10.1021/np060239e | ADMET | 1 |
Data from ChEMBL 36 via Core Engine