Compound Detail
CHEMBL461820
CYCLOHETERPHYLLIN Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CC(C)=CCc1c2c(c(O)c3c(=O)c4c(oc13)-c1cc(O)c(O)cc1OC4C=C(C)C)C=CC(C)(C)O2
Basic Information
| ChEMBL ID | CHEMBL461820 |
| Name | CYCLOHETERPHYLLIN |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZZPIXEJZTXAVCX-UHFFFAOYSA-N |
6
Targets
6
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
502.6
MW (Da)
6.67
ALogP
7
HBA
3
HBD
109.4
PSA (Ų)
0.27
QED
2
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 5 meas. best 5.72
IC50 1 meas. best 4.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Streptokinase A CHEMBL1293228 | EC50 | 5.72 | 5.72 | 1883.0 | 1 |
| Streptococcus sp. 'group A' CHEMBL612389 | EC50 | 5.53 | 5.53 | 2952.0 | 1 |
| Streptococcus CHEMBL612313 | EC50 | 5.4 | 5.4 | 4009.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.96 | 4.96 | 10900.0 | 1 |
| ATP-dependent molecular chaperone HSP82 CHEMBL1293251 | EC50 | 4.89 | 4.89 | 12991.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 4.78 | 4.78 | 16487.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Streptokinase A | EC50 | = | 1883.0 | nM | 5.72 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Streptococcus sp. 'group A' | EC50 | = | 2952.0 | nM | 5.53 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Streptococcus | EC50 | = | 4009.0 | nM | 5.4 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Response HTS to Identify... | - |
| NON-PROTEIN TARGET | IC50 | = | 10900.0 | nM | 4.96 | Antiplatelet activity against rabbit platelets assessed as arachidonic acid-indu... | 8864236 |
| ATP-dependent molecular chaperone HSP82 | EC50 | = | 12991.0 | nM | 4.89 | PUBCHEM_BIOASSAY: Fluorescence Cell-Based Secondary Assay to Identify Inhibitors... | - |
| Unchecked | EC50 | = | 16487.0 | nM | 4.78 | PUBCHEM_BIOASSAY: Fluorescence Cell-Based Secondary Assay for toxicity in mammal... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8864236 | 10.1021/np960376j | NON-PROTEIN TARGET | 8 |
| 8864236 | 10.1021/np960376j | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine