Compound Detail
CHEMBL7668
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 | CHEMBL7668 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RJIFZRQOWIRRNC-XCVCLJGOSA-N |
7
Targets
8
Activities
2
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
303.1
MW (Da)
4.05
ALogP
2
HBA
1
HBD
37.3
PSA (Ų)
0.69
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 7.52
EC50 1 meas. best 5.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leishmania infantum CHEMBL612848 | IC50 | 7.52 | 7.52 | 30.0 | 1 |
| Leishmania mexicana CHEMBL612880 | IC50 | 7.52 | 7.52 | 30.0 | 1 |
| Estrogen receptor beta CHEMBL242 | EC50 | 5.41 | 5.41 | 3910.0 | 1 |
| Estrogen receptor CHEMBL206 | IC50 | 5.33 | 5.33 | 4660.0 | 1 |
| Homo sapiens CHEMBL372 | IC50 | 5.03 | 4.96 | 9380.0 | 2 |
| P388 CHEMBL389 | IC50 | 4.89 | 4.89 | 12900.0 | 1 |
| L1210 CHEMBL386 | IC50 | 4.53 | 4.53 | 29400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leishmania mexicana | IC50 | = | 30.0 | nM | 7.52 | Antileishmanial activity against Leishmania mexicana intracellular amastigotes i... | 37976706 |
| Leishmania infantum | IC50 | = | 30.0 | nM | 7.52 | Antileishmanial activity against Leishmania infantum | 37421889 |
| Estrogen receptor beta | EC50 | = | 3910.0 | nM | 5.41 | Agonist activity at ERbeta expressed in yeast assessed as alpha-galactosidase ac... | 20553023 |
| Estrogen receptor | IC50 | = | 4660.0 | nM | 5.33 | Antagonist activity at ERalpha expressed in yeast assessed as inhibition of E2-i... | 20553023 |
| Homo sapiens | IC50 | = | 9380.0 | nM | 5.03 | Concentration required to inhibit 50% growth of human Molt 4/C8 T-lymphocyte cel... | 9544201 |
| P388 | IC50 | = | 12900.0 | nM | 4.89 | Inhibition of proliferation of murine P388 cells | 9544201 |
| Homo sapiens | IC50 | = | 12800.0 | nM | 4.89 | Concentration required to inhibit 50% growth of Human CEM T-lymphocytes cells | 9544201 |
| L1210 | IC50 | = | 29400.0 | nM | 4.53 | Concentration required to inhibit 50% growth of L1210 leukemia cells | 9544201 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9544201 | 10.1021/jm970432t | Homo sapiens | 2 |
| 20553023 | 10.1021/jm100369g | Estrogen receptor beta | 2 |
| 9544201 | 10.1021/jm970432t | P388 | 1 |
| 9544201 | 10.1021/jm970432t | L1210 | 1 |
| 20553023 | 10.1021/jm100369g | Estrogen receptor | 1 |
| 20553023 | 10.1021/jm100369g | MCF7 | 1 |
| 37976706 | 10.1016/j.ejmech.2023.115927 | Leishmania mexicana | 1 |
| 37421889 | 10.1016/j.ejmech.2023.115609 | Leishmania infantum | 1 |
Data from ChEMBL 36 via Core Engine