Compound Detail
CHEMBL1688537
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Basic Information
| ChEMBL ID | CHEMBL1688537 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CWKMPZOEUOYQAU-UHFFFAOYSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
249.3
MW (Da)
2.16
ALogP
4
HBA
2
HBD
82.0
PSA (Ų)
0.86
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 5 meas. best 9.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 9.4 | 7.97 | 0.4 | 2 |
| Unchecked CHEMBL612545 | EC50 | 6.05 | 5.8133 | 900.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 0.4 | nM | 9.4 | Antiviral activity against HIV1 infected in TNFalpha-stimulated human U1 cells a... | 18625767 |
| Human immunodeficiency virus 1 | EC50 | = | 290.0 | nM | 6.54 | Antiviral activity against HIV1 Brazilian isolate 93BR021 infected in PHA-stimul... | 18625767 |
| Unchecked | EC50 | = | 900.0 | nM | 6.05 | Inhibition of HIV1 Rev expressed in african green monkey 5BD.1 cells assessed as... | 18625767 |
| Unchecked | EC50 | = | 1070.0 | nM | 5.97 | Inhibition of HIV1 Rev expressed in human HeLa cells co-expressing renilla lucif... | 18625767 |
| Unchecked | EC50 | = | 3800.0 | nM | 5.42 | Inhibition of HIV1 Rev-Rev response element-mediated p24 antigen production expr... | 18625767 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18625767 | 10.1128/aac.00274-08 | Human immunodeficiency virus 1 | 10 |
| 18625767 | 10.1128/aac.00274-08 | Unchecked | 8 |
| - | 10.6019/CHEMBL3988442 | Unchecked | 3 |
| - | 10.6019/CHEMBL4513160 | Pseudomonas aeruginosa | 2 |
| 18625767 | 10.1128/aac.00274-08 | ADMET | 1 |
| 18625767 | 10.1128/aac.00274-08 | MT4 | 1 |
| 18625767 | 10.1128/aac.00274-08 | U1 | 1 |
| - | 10.6019/CHEMBL3301361 | No relevant target | 1 |
| 27091070 | 10.1016/j.bmc.2016.04.009 | Human immunodeficiency virus 1 | 1 |
| - | 10.6019/CHEMBL4513160 | Acinetobacter baumannii | 1 |
Data from ChEMBL 36 via Core Engine