Compound Detail
CHEMBL481267
GUSTASTATIN Enter ChEMBL ID:
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CCCCCC(=O)Cc1cc(OC)cc(O)c1C(=O)Oc1cc(CC(=O)CCCCC)c(C(=O)OC)c(OC)c1
Basic Information
| ChEMBL ID | CHEMBL481267 |
| Name | GUSTASTATIN |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FHOVJOXBAHBKGJ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
556.6
MW (Da)
5.80
ALogP
9
HBA
1
HBD
125.4
PSA (Ų)
0.15
QED
2
Ro5 Violations
17
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.71
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei rhodesiense CHEMBL612348 | IC50 | 4.71 | 4.71 | 19400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei rhodesiense | IC50 | = | 19400.0 | nM | 4.71 | Antiparasitic activity against Trypanosoma brucei rhodesiense STIB 900 bloodstre... | 21438586 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15217278 | 10.1021/np030509i | P388 | 1 |
| 15217278 | 10.1021/np030509i | BXPC-3 | 1 |
| 15217278 | 10.1021/np030509i | MCF7 | 1 |
| 15217278 | 10.1021/np030509i | SF-268 | 1 |
| 15217278 | 10.1021/np030509i | NCI-H460 | 1 |
| 15217278 | 10.1021/np030509i | KM-20L2 | 1 |
| 15217278 | 10.1021/np030509i | DU-145 | 1 |
| 21438586 | 10.1021/np100415m | Plasmodium falciparum | 1 |
| 21438586 | 10.1021/np100415m | Trypanosoma brucei rhodesiense | 1 |
| 21438586 | 10.1021/np100415m | L6 | 1 |
Data from ChEMBL 36 via Core Engine