Compound Detail
CHEMBL501933
SUNGUCINE Enter ChEMBL ID:
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C/C=C1/CN2CC[C@]34c5ccccc5N5C(=O)C([C@H]6C[C@]78c9ccccc9N9C(=O)C=C[C@@H]([C@H]97)[C@H]7C[C@@H]8N6C/C7=C/C)=C[C@H]([C@H]53)[C@H]1C[C@H]24
Basic Information
| ChEMBL ID | CHEMBL501933 |
| Name | SUNGUCINE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VCDMHIARBYKHSB-RFIZNQPASA-N |
4
Targets
9
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
634.8
MW (Da)
5.51
ALogP
4
HBA
0
HBD
47.1
PSA (Ų)
0.39
QED
2
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 9 meas. best 5.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 5.7 | 5.1517 | 2000.0 | 6 |
| ADMET CHEMBL612558 | IC50 | 5.22 | 5.22 | 6000.0 | 1 |
| HCT-116 CHEMBL394 | IC50 | 5.21 | 5.21 | 6200.0 | 1 |
| KB CHEMBL398 | IC50 | 5.21 | 5.21 | 6200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12398531 | 10.1021/np020070e | Plasmodium falciparum | 5 |
| 11170658 | 10.1021/np000285t | Plasmodium falciparum | 4 |
| 11170658 | 10.1021/np000285t | Unchecked | 4 |
| 12398531 | 10.1021/np020070e | Unchecked | 3 |
| 11170658 | 10.1021/np000285t | KB | 1 |
| 11170658 | 10.1021/np000285t | ADMET | 1 |
| 12398531 | 10.1021/np020070e | HCT-116 | 1 |
| 19299148 | 10.1016/j.bmc.2009.02.050 | Plasmodium falciparum | 1 |
| 20185316 | 10.1016/j.bmc.2010.01.068 | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine