Compound Detail
CHEMBL1468
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Basic Information
| ChEMBL ID | CHEMBL1468 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BTOTXLJHDSNXMW-POYBYMJQSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
212.2
MW (Da)
-0.79
ALogP
5
HBA
2
HBD
84.3
PSA (Ų)
0.67
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 4.01 | 4.01 | 96800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 96800.0 | nM | 4.01 | Antiviral activity against HIV I strain (LAV) in human peripheral blood mononucl... | 2918508 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3643284 | 10.1021/jm00385a033 | Moloney murine leukemia virus | 1 |
| 2918508 | 10.1021/jm00123a018 | Human immunodeficiency virus 1 | 1 |
| 2918508 | 10.1021/jm00123a018 | ADMET | 1 |
| 17485204 | 10.1016/j.bmcl.2007.04.043 | Human immunodeficiency virus 1 | 1 |
| 17485204 | 10.1016/j.bmcl.2007.04.043 | Human immunodeficiency virus 2 | 1 |
| 17485204 | 10.1016/j.bmcl.2007.04.043 | ADMET | 1 |
| 19282192 | 10.1016/j.bmc.2009.02.033 | MT4 | 1 |
| 19282192 | 10.1016/j.bmc.2009.02.033 | Human immunodeficiency virus 1 | 1 |
| 19282192 | 10.1016/j.bmc.2009.02.033 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine