Compound Detail
CHEMBL2367467
DEOXOARTEMISININ Enter ChEMBL ID:
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C[C@@H]1CC[C@H]2[C@@H](C)CO[C@@H]3O[C@]4(C)CC[C@@H]1[C@]32OO4
Basic Information
| ChEMBL ID | CHEMBL2367467 |
| Name | DEOXOARTEMISININ |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BOQMASYCUFVXCR-LHJKONGQSA-N |
1
Targets
2
Activities
1
Assay Types
1
PK Parameters
16
Publications
0
Known Names
Molecular Properties
268.4
MW (Da)
2.87
ALogP
4
HBA
0
HBD
36.9
PSA (Ų)
0.63
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leishmania donovani CHEMBL367 | IC50 | 4.33 | 4.33 | 46600.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 244.97 | hr | - |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leishmania donovani | IC50 | = | 46600.0 | nM | 4.33 | Antileishmanial activity of compound against leishmania donovani was determined ... | 13678403 |
| Leishmania donovani | IC50 | = | 47000.0 | nM | 4.33 | Antimicrobial activity against Leishmania donovani | 20185316 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2329574 | 10.1021/jm00167a036 | Plasmodium berghei | 6 |
| 8863791 | 10.1021/jm9603577 | Plasmodium falciparum | 2 |
| 8863791 | 10.1021/jm9603577 | No relevant target | 2 |
| 2329574 | 10.1021/jm00167a036 | Plasmodium falciparum | 2 |
| 7861409 | 10.1021/jm00004a007 | Plasmodium falciparum | 2 |
| - | 10.1016/S0960-894X(01)80266-3 | ADMET | 2 |
| 30579122 | 10.1016/j.ejmech.2018.12.007 | Plasmodium falciparum | 2 |
| 33508479 | 10.1016/j.ejmech.2021.113193 | Plasmodium falciparum | 2 |
| 13678403 | 10.1021/jm030181q | Leishmania donovani | 1 |
| - | 10.1016/S0960-894X(97)00169-8 | P388 | 1 |
| - | 10.1016/S0960-894X(97)00169-8 | KB | 1 |
| - | 10.1016/S0960-894X(97)00169-8 | SK-OV-3 | 1 |
| - | 10.1016/S0960-894X(97)00169-8 | Vero | 1 |
| 12383020 | 10.1021/jm020244p | ADMET | 1 |
| 16380253 | 10.1016/j.bmcl.2005.11.074 | Gallus gallus | 1 |
| 20185316 | 10.1016/j.bmc.2010.01.068 | Leishmania donovani | 1 |
Data from ChEMBL 36 via Core Engine