Compound Detail
CHEMBL222838
EFLORNITHINE, (S)- 🧪 Phase II
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL222838 |
| Name | EFLORNITHINE, (S)- |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | VLCYCQAOQCDTCN-ZCFIWIBFSA-N |
4
Targets
9
Activities
3
Assay Types
9
PK Parameters
15
Publications
0
Known Names
Molecular Properties
182.2
MW (Da)
-0.23
ALogP
3
HBA
3
HBD
89.3
PSA (Ų)
0.55
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Racemic |
Activity Summary
EC50 4 meas. best 4.52
IC50 4 meas. best 4.88
Kd 1 meas. best 4.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei brucei CHEMBL612851 | IC50 | 4.88 | 4.84 | 13300.0 | 2 |
| Leishmania donovani CHEMBL367 | EC50 | 4.52 | 4.44 | 30000.0 | 3 |
| Trypanosoma brucei CHEMBL612849 | IC50 | 4.49 | 4.49 | 32350.0 | 1 |
| Ornithine decarboxylase CHEMBL1869 | Kd | 4.41 | 4.41 | 39000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 14.5 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 14.5 | mL.min-1.kg-1 | Rattus norvegicus |
| F | 41.0 | % | Rattus norvegicus |
| F | 41.0 | % | Rattus norvegicus |
| F | 41.0 | % | Rattus norvegicus |
| F | 47.0 | % | Rattus norvegicus |
| Ka | 11.1 | micromol/min | Rattus norvegicus |
| Vd | 0.404 | L.kg-1 | Rattus norvegicus |
| Vd | 0.404 | L.kg-1 | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei brucei | IC50 | = | 13300.0 | nM | 4.88 | Antitrypanosomal activity against trypomastigote stage of Trypanosoma brucei bru... | 30092366 |
| Trypanosoma brucei brucei | IC50 | = | 15800.0 | nM | 4.8 | Antitrypanosomal activity against trypomastigote stage of Trypanosoma brucei bru... | 29885575 |
| Leishmania donovani | EC50 | = | 30000.0 | nM | 4.52 | Antiproliferative activity against Leishmania donovani DI700 promastigotes overp... | 17116678 |
| Trypanosoma brucei | IC50 | = | 32350.0 | nM | 4.49 | Antitrypanosomal activity against Trypanosoma brucei Lister 427 bloodstream form... | 30100019 |
| Ornithine decarboxylase | Kd | = | 39000.0 | nM | 4.41 | Binding affinity to ODC (unknown origin) | - |
| Leishmania donovani | EC50 | = | 40000.0 | nM | 4.4 | Antiproliferative activity against Leishmania donovani DI700 promastigotes | 17116678 |
| Leishmania donovani | EC50 | = | 40000.0 | nM | 4.4 | Antiproliferative activity against Leishmania donovani DI700 promastigotes overp... | 17116678 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18519728 | 10.1128/aac.00050-08 | Rattus norvegicus | 9 |
| 17116678 | 10.1128/aac.01193-06 | Leishmania donovani | 6 |
| 34965114 | 10.1021/acs.jnatprod.1c00738 | Trypanosoma brucei rhodesiense | 3 |
| 20185316 | 10.1016/j.bmc.2010.01.068 | Leishmania donovani | 1 |
| - | 10.1007/s00044-008-9103-6 | Rattus norvegicus | 1 |
| - | 10.1007/s00044-008-9103-6 | Ornithine decarboxylase | 1 |
| 29885575 | 10.1016/j.ejmech.2018.06.001 | Trypanosoma brucei brucei | 1 |
| 29885575 | 10.1016/j.ejmech.2018.06.001 | HepG2 | 1 |
| 30100019 | 10.1016/j.bmc.2018.06.033 | Trypanosoma brucei | 1 |
| 30092366 | 10.1016/j.ejmech.2018.07.064 | HepG2 | 1 |
| 30092366 | 10.1016/j.ejmech.2018.07.064 | Trypanosoma brucei brucei | 1 |
| 30092366 | 10.1016/j.ejmech.2018.07.064 | Unchecked | 1 |
| 34965114 | 10.1021/acs.jnatprod.1c00738 | Trypanosoma brucei brucei | 1 |
| 34965114 | 10.1021/acs.jnatprod.1c00738 | Trypanosoma brucei gambiense | 1 |
| 34965114 | 10.1021/acs.jnatprod.1c00738 | Trypanosoma evansi | 1 |
Data from ChEMBL 36 via Core Engine