Compound Detail
CHEMBL25719
GERANIOL Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL25719 |
| Name | GERANIOL |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GLZPCOQZEFWAFX-JXMROGBWSA-N |
3
Targets
7
Activities
4
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
154.2
MW (Da)
2.67
ALogP
1
HBA
1
HBD
20.2
PSA (Ų)
0.62
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas.
IC50 2 meas. best 4.28
Kd 1 meas. best 4.6
Ki 1 meas. best 4.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Kd | 4.6 | 4.6 | 25000.0 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 4.28 | 4.28 | 52000.0 | 1 |
| Acetylcholinesterase CHEMBL4078 | Ki | 4.0 | 4.0 | 100000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Kd | = | 25000.0 | nM | 4.6 | Binding affinity to Mycobacterium tuberculosis CYP124A1 by UV-visible spectropho... | 34289431 |
| Plasmodium falciparum | IC50 | = | 52000.0 | nM | 4.28 | Antiplasmodial activity after 48 hrs against chloroquine-resistant Plasmodium fa... | 17904365 |
| Acetylcholinesterase | Ki | = | 100000.0 | nM | 4.0 | Inhibition of Electrophorus electricus (electric eel) acetylcholinesterase (AChE... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL3885881 | Rattus norvegicus | 270 |
| 21819085 | 10.1021/jf202266n | Liposcelis bostrychophila | 10 |
| 21291237 | 10.1021/jf103937p | Tribolium castaneum | 10 |
| 21819085 | 10.1021/jf202266n | Tribolium castaneum | 10 |
| 16719518 | 10.1021/jf060017m | Colletotrichum camelliae | 6 |
| 7595592 | 10.1021/np50122a018 | Psoroptes ovis | 6 |
| 25455494 | 10.1016/j.bmcl.2014.10.012 | Transient receptor potential cation channel subfamily M member 8 | 5 |
| 21674753 | 10.1002/ps.2216 | Tetranychus urticae | 5 |
| 19223628 | 10.1128/aac.01293-08 | Staphylococcus aureus | 4 |
| 25455494 | 10.1016/j.bmcl.2014.10.012 | Transient receptor potential cation channel subfamily V member 1 | 4 |
| 20527965 | 10.1021/jf100797m | Meloidogyne incognita | 3 |
| - | 10.1016/j.indcrop.2009.11.005 | Acetylcholinesterase | 3 |
| 25455494 | 10.1016/j.bmcl.2014.10.012 | Transient receptor potential cation channel subfamily A member 1 | 3 |
| - | 10.1584/jpestics.19.4_299 | Pythium | 2 |
| 18556205 | 10.1016/j.bmcl.2008.05.113 | PC-3 | 2 |
| 18556205 | 10.1016/j.bmcl.2008.05.113 | HL-60 | 2 |
| - | 10.1584/jpestics.19.4_299 | Corticium | 2 |
| - | 10.1303/aez.2010.425 | Theba pisana | 2 |
| 12926880 | 10.1021/jf0301448 | Colletotrichum gloeosporioides | 2 |
| - | 10.1303/aez.2010.425 | Spodoptera littoralis | 2 |
Data from ChEMBL 36 via Core Engine