Compound Detail
CHEMBL1766195
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Basic Information
| ChEMBL ID | CHEMBL1766195 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UFZJAPCFBPHQNK-MRVPVSSYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
360.3
MW (Da)
0.47
ALogP
8
HBA
4
HBD
148.4
PSA (Ų)
0.49
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 5.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Moloney murine sarcoma virus CHEMBL613501 | EC50 | 5.16 | 5.16 | 6900.0 | 1 |
| Human immunodeficiency virus 2 CHEMBL380 | EC50 | 4.96 | 4.96 | 11100.0 | 1 |
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 4.88 | 4.735 | 13250.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Moloney murine sarcoma virus | EC50 | = | 6900.0 | nM | 5.16 | Antiviral against Moloney murine sarcoma virus infected in mouse C3H/3T3 cells a... | 21429755 |
| Human immunodeficiency virus 2 | EC50 | = | 11100.0 | nM | 4.96 | Antiviral activity against HIV2 ROD infected in human CEM cells assessed as inhi... | 21429755 |
| Human immunodeficiency virus 1 | EC50 | = | 13250.0 | nM | 4.88 | Antiviral activity against HIV1 3B infected in human MT-2 cells assessed as redu... | 21664011 |
| Human immunodeficiency virus 1 | EC50 | = | 25500.0 | nM | 4.59 | Antiviral activity against HIV1 3B infected in human CEM cells assessed as inhib... | 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 |
| 21664011 | 10.1016/j.ejmech.2011.05.040 | Human immunodeficiency virus 1 | 1 |
| 21664011 | 10.1016/j.ejmech.2011.05.040 | MT2 | 1 |
Data from ChEMBL 36 via Core Engine