Compound Detail
CHEMBL237535
PYGENIC ACID A Enter ChEMBL ID:
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C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12
Basic Information
| ChEMBL ID | CHEMBL237535 |
| Name | PYGENIC ACID A |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HFGSQOYIOKBQOW-RFMFWNHYSA-N |
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
472.7
MW (Da)
6.06
ALogP
3
HBA
3
HBD
77.8
PSA (Ų)
0.41
QED
1
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas.
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26259803 | 10.1016/j.bmcl.2015.07.029 | Mus musculus | 4 |
| 17869102 | 10.1016/j.bmcl.2007.08.057 | Unchecked | 1 |
| 18517260 | 10.1021/jm8000949 | Glycogen phosphorylase, muscle form | 1 |
| 25245917 | 10.1021/np500509q | RAW264.7 | 1 |
| 32033878 | 10.1016/j.bmc.2019.115229 | Pseudomonas aeruginosa | 1 |
Data from ChEMBL 36 via Core Engine