Compound Detail
CHEMBL110359
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Basic Information
| ChEMBL ID | CHEMBL110359 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BLBHGUJDTWXHFE-UHFFFAOYSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
17
Publications
0
Known Names
Molecular Properties
495.4
MW (Da)
6.60
ALogP
6
HBA
0
HBD
71.1
PSA (Ų)
0.27
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 4.8
IC50 1 meas. best 5.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Galactokinase CHEMBL1293257 | IC50 | 5.17 | 5.17 | 6676.9 | 1 |
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 4.8 | 4.8 | 16000.0 | 1 |
| CCRF-CEM CHEMBL382 | EC50 | 4.8 | 4.8 | 16000.0 | 1 |
| Human immunodeficiency virus type 1 (RF/HAT ISOLATE) CHEMBL613498 | EC50 | 4.8 | 4.8 | 16000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Galactokinase | IC50 | = | 6676.9 | nM | 5.17 | qHTS Assay: Assay details and protocol: The primary assay monitored ATP depletio... | - |
| Human immunodeficiency virus type 1 (RF/HAT ISOLATE) | EC50 | = | 16000.0 | nM | 4.8 | Inhibitory concentration for cytopathicity of HIV-1RF in CEM-SS cells | 11708913 |
| CCRF-CEM | EC50 | = | 16000.0 | nM | 4.8 | The compound was evaluated for prevention of the cytopathic effect of HIV-1 for ... | 8759644 |
| Human immunodeficiency virus 1 | EC50 | = | 16000.0 | nM | 4.8 | Antiviral activity against HIV1 RF in CEM-SS cells assessed as inhibition of vir... | 18222088 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11708913 | 10.1021/jm010212m | CEM-SS | 2 |
| 8759644 | 10.1021/jm960082v | CCRF-CEM | 2 |
| 18083556 | 10.1016/j.bmcl.2007.11.114 | Human immunodeficiency virus 1 | 2 |
| 18222088 | 10.1016/j.bmcl.2007.12.015 | Human immunodeficiency virus 1 | 2 |
| 18083556 | 10.1016/j.bmcl.2007.11.114 | MT4 | 1 |
| 18222088 | 10.1016/j.bmcl.2007.12.015 | 3',5'-cyclic-AMP phosphodiesterase 4B | 1 |
| 18222088 | 10.1016/j.bmcl.2007.12.015 | MT4 | 1 |
| 18222088 | 10.1016/j.bmcl.2007.12.015 | CEM-SS | 1 |
| 18222088 | 10.1016/j.bmcl.2007.12.015 | Human immunodeficiency virus 2 | 1 |
| 18222088 | 10.1016/j.bmcl.2007.12.015 | Human immunodeficiency virus type 1 reverse transcriptase | 1 |
| 18083556 | 10.1016/j.bmcl.2007.11.114 | CEM-SS | 1 |
| 18083556 | 10.1016/j.bmcl.2007.11.114 | Unchecked | 1 |
| 11708913 | 10.1021/jm010212m | Human immunodeficiency virus type 1 (RF/HAT ISOLATE) | 1 |
| 18083556 | 10.1016/j.bmcl.2007.11.114 | Human immunodeficiency virus 2 | 1 |
| 18083556 | 10.1016/j.bmcl.2007.11.114 | Human immunodeficiency virus type 1 reverse transcriptase | 1 |
| 8759644 | 10.1021/jm960082v | Unchecked | 1 |
| 11708913 | 10.1021/jm010212m | Human immunodeficiency virus type 1 reverse transcriptase | 1 |
Data from ChEMBL 36 via Core Engine