Compound Detail
CHEMBL226329
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Basic Information
| ChEMBL ID | CHEMBL226329 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RWZWBBCTNYUKDP-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
460.6
MW (Da)
6.51
ALogP
6
HBA
2
HBD
68.0
PSA (Ų)
0.31
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.71
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Estrogen receptor CHEMBL206 | IC50 | 7.71 | 7.71 | 19.3 | 1 |
| Estrogen receptor beta CHEMBL242 | IC50 | 7.31 | 7.31 | 48.6 | 1 |
| Zaire ebolavirus CHEMBL4513181 | IC50 | 6.89 | 6.89 | 130.0 | 1 |
| Marburgvirus CHEMBL4296577 | IC50 | 5.84 | 5.84 | 1450.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.79 | 5.79 | 1630.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Estrogen receptor | IC50 | = | 19.3 | nM | 7.71 | Displacement of [3H]estradiol from human recombinant ERalpha | 17489582 |
| Estrogen receptor beta | IC50 | = | 48.6 | nM | 7.31 | Displacement of [3H]estradiol from human recombinant ERbeta | 17489582 |
| Zaire ebolavirus | IC50 | = | 130.0 | nM | 6.89 | Antiviral activity against pseudotyped Ebola virus - Mayinga, Zaire infected in ... | 32886512 |
| Marburgvirus | IC50 | = | 1450.0 | nM | 5.84 | Antiviral activity against pseudotyped Marburgvirus-Musoke infected in human A54... | 32886512 |
| Unchecked | IC50 | = | 1630.0 | nM | 5.79 | Antiviral activity against pseudotyped Ebola virus - Zaire (1995) Kikwit infecte... | 32886512 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32886512 | 10.1021/acs.jmedchem.0c01001 | Unchecked | 5 |
| 17489582 | 10.1021/jm070079j | Estrogen receptor | 2 |
| 17489582 | 10.1021/jm070079j | Estrogen receptor beta | 2 |
| 32886512 | 10.1021/acs.jmedchem.0c01001 | Marburgvirus | 2 |
| 17489582 | 10.1021/jm070079j | Unchecked | 1 |
| 32886512 | 10.1021/acs.jmedchem.0c01001 | Estrogen receptor | 1 |
| 32886512 | 10.1021/acs.jmedchem.0c01001 | Zaire ebolavirus | 1 |
Data from ChEMBL 36 via Core Engine