Compound Detail
CHEMBL524291
STERIGMATOCYSTIN 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
Basic Information
| ChEMBL ID | CHEMBL524291 |
| Name | STERIGMATOCYSTIN |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UTSVPXMQSFGQTM-DCXZOGHSSA-N |
6
Targets
6
Activities
2
Assay Types
0
PK Parameters
13
Publications
0
Known Names
Molecular Properties
324.3
MW (Da)
3.01
ALogP
6
HBA
1
HBD
78.1
PSA (Ų)
0.69
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.56
EC50 1 meas. best 6.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma cruzi CHEMBL368 | EC50 | 6.89 | 6.89 | 130.0 | 1 |
| MDA-MB-231 CHEMBL400 | IC50 | 5.56 | 5.56 | 2750.0 | 1 |
| SF-268 CHEMBL613977 | IC50 | 5.53 | 5.53 | 2960.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.49 | 5.49 | 3230.0 | 1 |
| NCI-H460 CHEMBL396 | IC50 | 5.47 | 5.47 | 3410.0 | 1 |
| MCF7 CHEMBL387 | IC50 | 5.44 | 5.44 | 3630.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma cruzi | EC50 | = | 130.0 | nM | 6.89 | Antitrypanosomal activity against Trypanosoma cruzi amastigote | 30234295 |
| MDA-MB-231 | IC50 | = | 2750.0 | nM | 5.56 | Cytotoxicity against human MDA-MB-231 cells after 72 hrs by Alamar Blue assay | 24251417 |
| SF-268 | IC50 | = | 2960.0 | nM | 5.53 | Cytotoxicity against human SF268 cells after 72 hrs by Alamar Blue assay | 24251417 |
| NON-PROTEIN TARGET | IC50 | = | 3230.0 | nM | 5.49 | Cytotoxicity against human PC3M cells after 72 hrs by Alamar Blue assay | 24251417 |
| NCI-H460 | IC50 | = | 3410.0 | nM | 5.47 | Cytotoxicity against human NCI-H460 cells after 72 hrs by Alamar Blue assay | 24251417 |
| MCF7 | IC50 | = | 3630.0 | nM | 5.44 | Cytotoxicity against human MCF7 cells after 72 hrs by Alamar Blue assay | 24251417 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24251417 | 10.1021/np400762k | NON-PROTEIN TARGET | 2 |
| 16872131 | 10.1021/np050454f | Mycotypha microspora | 1 |
| 16872131 | 10.1021/np050454f | [Chlorella] fusca | 1 |
| 23062825 | 10.1016/j.bmc.2012.09.040 | Acetylcholinesterase | 1 |
| 23062825 | 10.1016/j.bmc.2012.09.040 | Cholinesterase | 1 |
| 24251417 | 10.1021/np400762k | A549 | 1 |
| 24251417 | 10.1021/np400762k | ADMET | 1 |
| 24251417 | 10.1021/np400762k | MDA-MB-231 | 1 |
| 24251417 | 10.1021/np400762k | MCF7 | 1 |
| 24251417 | 10.1021/np400762k | SF-268 | 1 |
| 24251417 | 10.1021/np400762k | NCI-H460 | 1 |
| 30234295 | 10.1021/acs.jnatprod.8b00159 | Trypanosoma cruzi | 1 |
| 30234295 | 10.1021/acs.jnatprod.8b00159 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine