Compound Detail
CHEMBL76398
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Basic Information
| ChEMBL ID | CHEMBL76398 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VCCBEIPGXKNHFW-UHFFFAOYSA-N |
1
Targets
4
Activities
2
Assay Types
0
PK Parameters
16
Publications
0
Known Names
Molecular Properties
186.2
MW (Da)
2.76
ALogP
2
HBA
2
HBD
40.5
PSA (Ų)
0.72
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 3 meas.
IC50 1 meas. best 5.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Estrogen receptor beta CHEMBL242 | IC50 | 5.77 | 5.77 | 1700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Estrogen receptor beta | IC50 | = | 1700.0 | nM | 5.77 | Competitive Binding Assay: Competitive binding assays were performed by incubati... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12477346 | 10.1021/jm020160g | Stromelysin-1 | 2 |
| 24266771 | 10.1021/jm401291q | GTP-binding protein Rheb | 2 |
| 27259399 | 10.1016/j.bmc.2016.05.030 | ADMET | 2 |
| 28012343 | 10.1016/j.ejmech.2016.12.028 | Mushroom tyrosinase | 2 |
| 9784117 | 10.1021/jm980315d | COS-7 | 1 |
| 9632359 | 10.1021/jm9705521 | Estrogen receptor | 1 |
| 10836148 | 10.1146/annurev.pharmtox.40.1.581 | UDP-glucuronosyltransferase 1A1 | 1 |
| 10836148 | 10.1146/annurev.pharmtox.40.1.581 | UDP-glucuronosyltransferase 1A4 | 1 |
| 10836148 | 10.1146/annurev.pharmtox.40.1.581 | UDP-glucuronosyltransferase 2B15 | 1 |
| 24262887 | 10.1016/j.bmc.2013.10.037 | Indoleamine 2,3-dioxygenase 1 | 1 |
| 24266771 | 10.1021/jm401291q | HeLa | 1 |
| 24266771 | 10.1021/jm401291q | GTPase KRas | 1 |
| 26599519 | 10.1021/acs.jmedchem.5b01616 | Cytosolic purine 5'-nucleotidase | 1 |
| 27259399 | 10.1016/j.bmc.2016.05.030 | HEK293 | 1 |
| 27259399 | 10.1016/j.bmc.2016.05.030 | HT-29 | 1 |
| 27259399 | 10.1016/j.bmc.2016.05.030 | MCF7 | 1 |
Data from ChEMBL 36 via Core Engine