Compound Detail
CHEMBL1080997
CITRAL Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL1080997 |
| Name | CITRAL |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WTEVQBCEXWBHNA-JXMROGBWSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
152.2
MW (Da)
2.88
ALogP
1
HBA
0
HBD
17.1
PSA (Ų)
0.34
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| dengue virus type 2 CHEMBL613966 | IC50 | 4.51 | 4.51 | 31000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| dengue virus type 2 | IC50 | = | 31000.0 | nM | 4.51 | Antiviral activity against DENV2 | 31128447 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21291237 | 10.1021/jf103937p | Tribolium castaneum | 10 |
| 21674753 | 10.1002/ps.2216 | Tetranychus urticae | 5 |
| 23379671 | 10.1021/jf305164m | Meloidogyne incognita | 2 |
| 19850474 | 10.1016/j.bmcl.2009.09.086 | Fatty-acid amide hydrolase 1 | 1 |
| 21291237 | 10.1021/jf103937p | No relevant target | 1 |
| 31128447 | 10.1016/j.ejmech.2019.05.010 | dengue virus type 2 | 1 |
| 35367706 | 10.1016/j.ejmech.2022.114282 | Unchecked | 1 |
| 37235809 | 10.1021/acs.jmedchem.3c00398 | Mycolicibacterium smegmatis | 1 |
| 37235809 | 10.1021/acs.jmedchem.3c00398 | Mycobacterium tuberculosis | 1 |
| 37235809 | 10.1021/acs.jmedchem.3c00398 | Cell membrane | 1 |
Data from ChEMBL 36 via Core Engine