Compound Detail
CHEMBL13791
PHENYL BIGUANIDE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL13791 |
| Name | PHENYL BIGUANIDE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CUQCMXFWIMOWRP-UHFFFAOYSA-N |
2
Targets
5
Activities
2
Assay Types
0
PK Parameters
15
Publications
0
Known Names
Molecular Properties
177.2
MW (Da)
0.52
ALogP
2
HBA
5
HBD
97.8
PSA (Ų)
0.32
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 5.92
IC50 2 meas. best 5.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serotonin 3 (5-HT3) receptor CHEMBL2094132 | Ki | 5.92 | 5.92 | 1200.0 | 3 |
| Plasmodium falciparum CHEMBL364 | IC50 | 5.0 | 4.95 | 10000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serotonin 3 (5-HT3) receptor | Ki | = | 1200.0 | nM | 5.92 | Compound was tested for the inhibition of [3H]GR-65630 binding to 5-hydroxytrypt... | 8831767 |
| Serotonin 3 (5-HT3) receptor | Ki | = | 1200.0 | nM | 5.92 | Binding affinity to 5-HT3 serotonin receptor in NG 108-15 neuroblastoma glioma c... | 11412989 |
| Serotonin 3 (5-HT3) receptor | Ki | = | 1200.0 | nM | 5.92 | Binding affinity towards 5-hydroxytryptamine 3 receptor | 12217367 |
| Plasmodium falciparum | IC50 | = | 10000.0 | nM | 5.0 | Antiplasmodial activity against Plasmodium falciparum HB3 after 72 hrs by SYBR g... | 19734910 |
| Plasmodium falciparum | IC50 | = | 12589.25 | nM | 4.9 | Antiplasmodial activity against Plasmodium falciparum 3D7 after 72 hrs by SYBR g... | 19734910 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12217367 | 10.1016/s0960-894x(02)00514-0 | Serotonin 3 (5-HT3) receptor | 3 |
| 19425598 | 10.1021/jm900018b | 5-hydroxytryptamine receptor 3A | 2 |
| 19734910 | 10.1038/nchembio.215 | Plasmodium falciparum | 2 |
| 27823885 | 10.1016/j.ejmech.2016.10.058 | Trace amine-associated receptor 1 | 2 |
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| 8831767 | 10.1021/jm9603936 | Serotonin 3 (5-HT3) receptor | 1 |
| 8831767 | 10.1021/jm9603936 | Rattus norvegicus | 1 |
| 8831767 | 10.1021/jm9603936 | Oryctolagus cuniculus | 1 |
| 12643925 | 10.1016/s0960-894x(03)00044-1 | No relevant target | 1 |
| 11412989 | 10.1016/s0960-894x(01)00291-8 | Serotonin 3 (5-HT3) receptor | 1 |
| 16982193 | 10.1016/j.bmcl.2006.08.061 | Integrin alpha-V/beta-3 | 1 |
| 19425598 | 10.1021/jm900018b | Rattus norvegicus | 1 |
| 17417631 | 10.1038/nchembio873 | Unchecked | 1 |
| 26428870 | 10.1016/j.bmcl.2015.09.029 | Hepatitis C virus | 1 |
| 27823885 | 10.1016/j.ejmech.2016.10.058 | Trace amine-associated receptor 5 | 1 |
Data from ChEMBL 36 via Core Engine