Compound Detail
CHEMBL480462
PALLIDOL Enter ChEMBL ID:
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Oc1ccc([C@@H]2c3c(O)cc(O)cc3[C@H]3[C@H](c4ccc(O)cc4)c4c(O)cc(O)cc4[C@@H]23)cc1
Basic Information
| ChEMBL ID | CHEMBL480462 |
| Name | PALLIDOL |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YNVJOQCPHWKWSO-ZBVBGGFBSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
14
Publications
0
Known Names
Molecular Properties
454.5
MW (Da)
5.08
ALogP
6
HBA
6
HBD
121.4
PSA (Ų)
0.25
QED
2
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 4.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CCRF-CEM CHEMBL382 | IC50 | 4.5 | 4.5 | 32000.0 | 1 |
| Prostaglandin G/H synthase 1 CHEMBL221 | IC50 | 4.3 | 4.3 | 50000.0 | 1 |
| Prostaglandin G/H synthase 2 CHEMBL230 | IC50 | 4.1 | 4.1 | 80000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CCRF-CEM | IC50 | = | 32000.0 | nM | 4.5 | Cytotoxicity against human CEM cells | 10650073 |
| Prostaglandin G/H synthase 1 | IC50 | = | 50000.0 | nM | 4.3 | Inhibition of COX1 | 11170689 |
| Prostaglandin G/H synthase 2 | IC50 | = | 80000.0 | nM | 4.1 | Inhibition of COX2 | 11170689 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23791078 | 10.1016/j.bmcl.2013.05.058 | RAW264.7 | 2 |
| 26073007 | 10.1016/j.bmcl.2015.05.062 | RAW264.7 | 2 |
| 26241875 | 10.1016/j.ejmech.2015.07.042 | Estrogen receptor | 2 |
| 26241875 | 10.1016/j.ejmech.2015.07.042 | Estrogen receptor beta | 2 |
| 32705864 | 10.1021/acs.jnatprod.0c00071 | Staphylococcus aureus | 2 |
| 10650073 | 10.1021/np990266n | Human immunodeficiency virus 1 | 1 |
| 10650073 | 10.1021/np990266n | CCRF-CEM | 1 |
| 10650073 | 10.1021/np990266n | Prostaglandin G/H synthase 2 | 1 |
| 11170689 | 10.1021/np000426r | Prostaglandin G/H synthase 1 | 1 |
| 11170689 | 10.1021/np000426r | Prostaglandin G/H synthase 2 | 1 |
| 22209460 | 10.1016/j.bmcl.2011.12.012 | Radical scavenging activity | 1 |
| 22209460 | 10.1016/j.bmcl.2011.12.012 | NON-PROTEIN TARGET | 1 |
| 23353752 | 10.1016/j.ejmech.2012.12.037 | NON-PROTEIN TARGET | 1 |
| 32705864 | 10.1021/acs.jnatprod.0c00071 | Pseudomonas aeruginosa | 1 |
Data from ChEMBL 36 via Core Engine