Compound Detail
CHEMBL1766198
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Basic Information
| ChEMBL ID | CHEMBL1766198 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CNCWSZLZMUZNIC-QMMMGPOBSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
360.3
MW (Da)
0.50
ALogP
8
HBA
4
HBD
148.4
PSA (Ų)
0.37
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 4.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 4.75 | 4.75 | 18000.0 | 1 |
| Human immunodeficiency virus 2 CHEMBL380 | EC50 | 4.44 | 4.44 | 36000.0 | 1 |
| Moloney murine sarcoma virus CHEMBL613501 | EC50 | 4.16 | 4.16 | 69000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 18000.0 | nM | 4.75 | Antiviral activity against HIV1 3B infected in human CEM cells assessed as inhib... | 21429755 |
| Human immunodeficiency virus 2 | EC50 | = | 36000.0 | nM | 4.44 | Antiviral activity against HIV2 ROD infected in human CEM cells assessed as inhi... | 21429755 |
| Moloney murine sarcoma virus | EC50 | = | 69000.0 | nM | 4.16 | Antiviral against Moloney murine sarcoma virus infected in mouse C3H/3T3 cells a... | 21429755 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21429755 | 10.1016/j.bmc.2011.02.050 | CCRF-CEM | 2 |
| 21429755 | 10.1016/j.bmc.2011.02.050 | Human immunodeficiency virus 1 | 1 |
| 21429755 | 10.1016/j.bmc.2011.02.050 | Human immunodeficiency virus 2 | 1 |
| 21429755 | 10.1016/j.bmc.2011.02.050 | Moloney murine sarcoma virus | 1 |
| 21429755 | 10.1016/j.bmc.2011.02.050 | Adenosine deaminase | 1 |
Data from ChEMBL 36 via Core Engine