Compound Detail
CHEMBL443099
OCOTEINE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL443099 |
| Name | OCOTEINE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XEZKWYLHAOYOCL-AWEZNQCLSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
369.4
MW (Da)
3.19
ALogP
6
HBA
0
HBD
49.4
PSA (Ų)
0.83
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sclerostin CHEMBL3580487 | IC50 | 5.82 | 5.82 | 1500.0 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 4.46 | 4.46 | 34800.0 | 1 |
| Entamoeba histolytica CHEMBL612853 | IC50 | 4.29 | 4.29 | 51200.0 | 1 |
| KB CHEMBL398 | IC50 | 4.13 | 4.13 | 74300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sclerostin | IC50 | = | 1500.0 | nM | 5.82 | Inhibition of sclerostin in human embryonic cells assessed as restoration of Wnt... | - |
| Plasmodium falciparum | IC50 | = | 34800.0 | nM | 4.46 | Antiplasmodial activity against multi drug-resistant Plasmodium falciparum K1 in... | 11141105 |
| Entamoeba histolytica | IC50 | = | 51200.0 | nM | 4.29 | Antiamnesic activity against Entamoeba histolytica NIH 200 after 72 hrs by micro... | 11141105 |
| KB | IC50 | = | 74300.0 | nM | 4.13 | Cytotoxicity against human KB cells after 72 hrs | 11141105 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9677264 | 10.1021/np970348g | Platelet | 3 |
| 11141105 | 10.1021/np000144r | Plasmodium falciparum | 1 |
| 11141105 | 10.1021/np000144r | Entamoeba histolytica | 1 |
| 11141105 | 10.1021/np000144r | KB | 1 |
| - | 10.1007/s00044-011-9767-1 | Entamoeba histolytica | 1 |
Data from ChEMBL 36 via Core Engine