Compound Detail
CHEMBL1784379
CRYPTOCARYOL H Enter ChEMBL ID:
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CCCCCCCCCCCC/C=C\CCCCCCCCCCCC[C@@H](O)C[C@H](O)C[C@H](O)C[C@@H]1OC(=O)C=C[C@@H]1O
Basic Information
| ChEMBL ID | CHEMBL1784379 |
| Name | CRYPTOCARYOL H |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OCYDNBMSPUSFAD-ZLQLLNQHSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
609.0
MW (Da)
8.63
ALogP
6
HBA
4
HBD
107.2
PSA (Ų)
0.04
QED
2
Ro5 Violations
30
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Programmed cell death protein 4 CHEMBL1781868 | EC50 | 5.75 | 5.75 | 1800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Programmed cell death protein 4 | EC50 | = | 1800.0 | nM | 5.75 | Inhibition of TPA-induced degradation of Pdcd4 (amino acid 39-91) expressed in h... | 21539301 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21539301 | 10.1021/np100918z | Programmed cell death protein 4 | 1 |
Data from ChEMBL 36 via Core Engine