Compound Detail
CHEMBL506234
KUMANON H Enter ChEMBL ID:
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CC(C)=CCc1c(O)ccc(C(=O)[C@@H]2[C@@H](c3c(O)cc(O)c4c(=O)c(CC=C(C)C)c(-c5ccc(O)cc5O)oc34)C=C(C)C[C@H]2c2ccc(O)cc2O)c1O
Basic Information
| ChEMBL ID | CHEMBL506234 |
| Name | KUMANON H |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DKBPTKFKCCNXNH-QXGWMLRCSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
760.8
MW (Da)
8.84
ALogP
11
HBA
8
HBD
209.1
PSA (Ų)
0.05
QED
4
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Platelet CHEMBL4296519 | IC50 | 4.62 | 4.37 | 24000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Platelet | IC50 | = | 24000.0 | nM | 4.62 | Inhibition of 12-hydroxy-5,8,10-heptadecatrienoic acid formation in Wistar King ... | 3097265 |
| Platelet | IC50 | = | 75700.0 | nM | 4.12 | Inhibition of thromboxane B2 formation in Wistar King platelets | 3097265 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3097265 | 10.1021/np50046a013 | Platelet | 5 |
Data from ChEMBL 36 via Core Engine