Compound Detail
CHEMBL525601
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CC(=O)O[C@@]12[C@H](OC(=O)[C@H](C(C)C)N(C)C)[C@@H](C)[C@]3(O)[C@@H]4C=C(C)C(=O)[C@@H]4CC(CO)=C[C@H]3[C@@H]1C2(C)C
Basic Information
| ChEMBL ID | CHEMBL525601 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VCEYVQJHAJGATA-ZPRGDDEXSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
517.7
MW (Da)
2.52
ALogP
8
HBA
2
HBD
113.4
PSA (Ų)
0.41
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20121237 | 10.1021/np9006553 | Human immunodeficiency virus 1 | 3 |
| 20121237 | 10.1021/np9006553 | Protein kinase C delta type | 2 |
| 16792405 | 10.1021/np0504311 | Prostaglandin G/H synthase 1 | 1 |
| 16792405 | 10.1021/np0504311 | Prostaglandin G/H synthase 2 | 1 |
| 20121237 | 10.1021/np9006553 | Protein kinase C alpha type | 1 |
Data from ChEMBL 36 via Core Engine