Compound Detail
CHEMBL309913
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Basic Information
| ChEMBL ID | CHEMBL309913 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PBBIOTZCKPNHNV-PHDIDXHHSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
251.2
MW (Da)
-0.56
ALogP
8
HBA
3
HBD
119.3
PSA (Ų)
0.65
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.76
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | IC50 | 4.76 | 4.76 | 17500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | IC50 | = | 17500.0 | nM | 4.76 | Concentration required to inhibit HIV replication by 50% | 1619614 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1619614 | 10.1021/jm00091a001 | ADMET | 2 |
| 1619614 | 10.1021/jm00091a001 | Human immunodeficiency virus 1 | 1 |
Data from ChEMBL 36 via Core Engine