Compound Detail
CHEMBL1791024
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Basic Information
| ChEMBL ID | CHEMBL1791024 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VKYMRXNXDPKKRV-RRKCRQDMSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
332.1
MW (Da)
0.26
ALogP
6
HBA
2
HBD
133.1
PSA (Ų)
0.47
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.0
IC50 2 meas. best 6.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rauscher murine leukemia virus CHEMBL613748 | IC50 | 6.64 | 6.64 | 230.0 | 1 |
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 6.0 | 5.99 | 1000.0 | 2 |
| CCRF-CEM CHEMBL382 | IC50 | 5.06 | 5.06 | 8730.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rauscher murine leukemia virus | IC50 | = | 230.0 | nM | 6.64 | Concentration of compound required to inhibit 50% of viral replication of Rausch... | 2754712 |
| Human immunodeficiency virus 1 | EC50 | = | 1000.0 | nM | 6.0 | Inhibition of HIV-1 replication in human peripheral blood mononuclear cells. | 3339606 |
| Human immunodeficiency virus 1 | EC50 | = | 1040.0 | nM | 5.98 | Antiviral activity against HIV I strain (LAV) in human peripheral blood mononucl... | 2918508 |
| CCRF-CEM | IC50 | = | 8730.0 | nM | 5.06 | Concentration of compound required to inhibit 50% of viral replication of human ... | 2754712 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22178557 | 10.1016/j.bmcl.2011.11.114 | Huh-7 | 4 |
| 2754712 | 10.1021/jm00128a034 | CCRF-CEM | 2 |
| 2754712 | 10.1021/jm00128a034 | Rauscher murine leukemia virus | 2 |
| 2754712 | 10.1021/jm00128a034 | Unchecked | 2 |
| 22178557 | 10.1016/j.bmcl.2011.11.114 | Mycobacterium tuberculosis | 2 |
| 3339606 | 10.1021/jm00397a011 | Human immunodeficiency virus 1 | 1 |
| 3643284 | 10.1021/jm00385a033 | Moloney murine leukemia virus | 1 |
| 3643284 | 10.1021/jm00385a033 | Human immunodeficiency virus 1 | 1 |
| 2918508 | 10.1021/jm00123a018 | Human immunodeficiency virus 1 | 1 |
| 2918508 | 10.1021/jm00123a018 | ADMET | 1 |
| 22178557 | 10.1016/j.bmcl.2011.11.114 | Mycobacterium avium | 1 |
Data from ChEMBL 36 via Core Engine