Compound Detail
CHEMBL341824
PTEROIC ACID Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL341824 |
| Name | PTEROIC ACID |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JOAQINSXLLMRCV-UHFFFAOYSA-N |
1
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
312.3
MW (Da)
1.02
ALogP
8
HBA
4
HBD
147.1
PSA (Ų)
0.55
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 4.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.8 | 4.8 | 16000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 16000.0 | nM | 4.8 | Inhibitory activity against CDK4 using recombinant human cyclin D2-CDK4 complex ... | 11741479 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11741479 | 10.1021/jm0103256 | Unchecked | 1 |
| 11754581 | 10.1021/jm010186s | Ricin | 1 |
| 11754581 | 10.1021/jm010186s | Unchecked | 1 |
| 21641093 | 10.1016/j.ejmech.2011.05.025 | Ricin | 1 |
| 23214944 | 10.1021/jm3016393 | Ricin | 1 |
| 321779 | 10.1021/jm00213a023 | Enterococcus faecalis | 1 |
Data from ChEMBL 36 via Core Engine