Compound Detail
CHEMBL2435707
SQUARIC ACID DIBUTYL ESTER 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL2435707 |
| Name | SQUARIC ACID DIBUTYL ESTER |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | XBRWELTXMQSEIN-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
6
Known Names
2
Indications
Molecular Properties
226.3
MW (Da)
1.64
ALogP
4
HBA
0
HBD
52.6
PSA (Ų)
0.50
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Indications
Herpes Labialis Nevus, Pigmented
Activity Summary
IC50 1 meas. best 5.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 5.05 | 5.05 | 8840.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 8840.0 | nM | 5.05 | Antiplasmodial activity against ring stage of chloroquine-resistant Plasmodium f... | 24077527 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24077527 | 10.1016/j.ejmech.2013.08.037 | Unchecked | 2 |
| 24077527 | 10.1016/j.ejmech.2013.08.037 | HEK-293T | 1 |
| 24077527 | 10.1016/j.ejmech.2013.08.037 | NIH3T3 | 1 |
| 24077527 | 10.1016/j.ejmech.2013.08.037 | Plasmodium falciparum | 1 |
| 24077527 | 10.1016/j.ejmech.2013.08.037 | Papain | 1 |
Data from ChEMBL 36 via Core Engine