Compound Detail
CHEMBL4532671
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Basic Information
| ChEMBL ID | CHEMBL4532671 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SYXNLFSRGJWUCI-UHFFFAOYSA-N |
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
491.6
MW (Da)
6.22
ALogP
6
HBA
1
HBD
59.0
PSA (Ų)
0.28
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 9.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Estrogen receptor CHEMBL206 | IC50 | 9.02 | 8.92 | 1.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 9.02 | 8.995 | 1.0 | 2 |
| Zaire ebolavirus CHEMBL4513181 | IC50 | 5.99 | 5.99 | 1020.0 | 1 |
| Marburgvirus CHEMBL4296577 | IC50 | 5.41 | 5.41 | 3880.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 0.955 | nM | 9.02 | Antiproliferative activity against human MCF7:5C cells assessed as reduction in ... | 31746603 |
| Estrogen receptor | IC50 | = | 0.955 | nM | 9.02 | Inhibition of ERalpha in human MCF7:WS8 cells assessed as increase in degradatio... | 31746603 |
| Unchecked | IC50 | = | 1.072 | nM | 8.97 | Antiproliferative activity against human MCF7:WS8 cells assessed as reduction in... | 31746603 |
| Estrogen receptor | IC50 | = | 1.5 | nM | 8.82 | Antagonist activity at ERalpha in human MCF7:WS8 cells incubated for 18 hrs by d... | 31746603 |
| Zaire ebolavirus | IC50 | = | 1020.0 | nM | 5.99 | Antiviral activity against pseudotyped Ebola virus - Mayinga, Zaire infected in ... | 32886512 |
| Marburgvirus | IC50 | = | 3880.0 | nM | 5.41 | Antiviral activity against pseudotyped Marburgvirus-Musoke infected in human A54... | 32886512 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31746603 | 10.1021/acs.jmedchem.9b01580 | Unchecked | 5 |
| 32886512 | 10.1021/acs.jmedchem.0c01001 | Unchecked | 5 |
| 31746603 | 10.1021/acs.jmedchem.9b01580 | Estrogen receptor | 4 |
| 32886512 | 10.1021/acs.jmedchem.0c01001 | Marburgvirus | 2 |
| 32886512 | 10.1021/acs.jmedchem.0c01001 | Zaire ebolavirus | 1 |
Data from ChEMBL 36 via Core Engine