Compound Detail
CHEMBL511822
TARAXEROL Enter ChEMBL ID:
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CC1(C)CC[C@]2(C)CC=C3[C@]4(C)CC[C@H]5C(C)(C)[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]3(C)[C@@H]2C1
Basic Information
| ChEMBL ID | CHEMBL511822 |
| Name | TARAXEROL |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GGGUGZHBAOMSFJ-GADYQYKKSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
15
Publications
0
Known Names
Molecular Properties
426.7
MW (Da)
8.17
ALogP
1
HBA
1
HBD
20.2
PSA (Ų)
0.39
QED
1
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 5.07 | 5.07 | 8500.0 | 1 |
| Trypanosoma brucei rhodesiense CHEMBL612348 | IC50 | 4.98 | 4.98 | 10500.0 | 1 |
| Nitric oxide synthase, inducible CHEMBL3464 | IC50 | 4.62 | 4.62 | 24200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 8500.0 | nM | 5.07 | Antiplasmodial activity against chloroquine- and pyrimethamine-resistant Plasmod... | 21438586 |
| Trypanosoma brucei rhodesiense | IC50 | = | 10500.0 | nM | 4.98 | Antiparasitic activity against Trypanosoma brucei rhodesiense STIB 900 bloodstre... | 21438586 |
| Nitric oxide synthase, inducible | IC50 | = | 24200.0 | nM | 4.62 | Inhibition of iNOS-mediated NO production in LPS-induced mouse BV2 cells | 18926710 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22578462 | 10.1016/j.bmcl.2012.04.081 | Unchecked | 4 |
| 26508549 | 10.1016/j.bmcl.2015.10.034 | Isocitrate dehydrogenase [NADP] cytoplasmic | 2 |
| 11374975 | 10.1021/np000569d | WISH | 1 |
| 11374975 | 10.1021/np000569d | Vero | 1 |
| 11374975 | 10.1021/np000569d | Raji | 1 |
| 11374975 | 10.1021/np000569d | K562 | 1 |
| 11374975 | 10.1021/np000569d | HeLa | 1 |
| 11374975 | 10.1021/np000569d | Calu-1 | 1 |
| 15165160 | 10.1021/np0303512 | A2780 | 1 |
| 18926710 | 10.1016/j.bmc.2008.09.021 | Nitric oxide synthase, inducible | 1 |
| 18926710 | 10.1016/j.bmc.2008.09.021 | Unchecked | 1 |
| 15620237 | 10.1021/np040113m | Radical scavenging activity | 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