Compound Detail
CHEMBL443146
LETESTUIANIN C Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL443146 |
| Name | LETESTUIANIN C |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KTRRXJQAOOYSDA-UHFFFAOYSA-N |
4
Targets
7
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
312.4
MW (Da)
3.19
ALogP
4
HBA
2
HBD
74.6
PSA (Ų)
0.73
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 6 meas. best 5.6
IC50 1 meas. best 5.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei brucei CHEMBL612851 | EC50 | 5.6 | 5.43 | 2500.0 | 3 |
| Acetylcholinesterase CHEMBL4078 | IC50 | 5.1 | 5.1 | 7890.0 | 1 |
| Leishmania mexicana CHEMBL612880 | EC50 | 4.19 | 4.19 | 64000.0 | 1 |
| Leishmania major CHEMBL612879 | EC50 | 4.1 | 4.1 | 80000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei brucei | EC50 | = | 2500.0 | nM | 5.6 | Antitrypanosomal activity against Trypanosoma brucei brucei 427 after 48 hrs by ... | 20004045 |
| Trypanosoma brucei brucei | EC50 | = | 4000.0 | nM | 5.4 | Antitrypanosomal activity against diminazene-resistant Trypanosoma brucei brucei... | 20004045 |
| Trypanosoma brucei brucei | EC50 | = | 5100.0 | nM | 5.29 | Antitrypanosomal activity against multidrug-resistant Trypanosoma brucei brucei ... | 20004045 |
| Acetylcholinesterase | IC50 | = | 7890.0 | nM | 5.1 | Inhibition of electric eel AChE using acetylthiocholine iodide as substrate afte... | 23583510 |
| Leishmania mexicana | EC50 | = | 64000.0 | nM | 4.19 | Antileishmanial activity against Leishmania mexicana MNYC/BZ/62/M379 amastigotes... | 20004045 |
| Leishmania major | EC50 | = | 80000.0 | nM | 4.1 | Antileishmanial activity against Leishmania major Friedlin promastigotes after 4... | 20004045 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20004045 | 10.1016/j.ejmech.2009.11.035 | Trypanosoma brucei brucei | 3 |
| 12662093 | 10.1021/np020362f | Trypanosoma brucei rhodesiense | 2 |
| 12662093 | 10.1021/np020362f | Trypanosoma brucei brucei | 1 |
| 20004045 | 10.1016/j.ejmech.2009.11.035 | Leishmania major | 1 |
| 20004045 | 10.1016/j.ejmech.2009.11.035 | Leishmania mexicana | 1 |
| 20004045 | 10.1016/j.ejmech.2009.11.035 | HEK293 | 1 |
| 23583510 | 10.1016/j.bmcl.2013.03.069 | Acetylcholinesterase | 1 |
Data from ChEMBL 36 via Core Engine