Compound Detail
CHEMBL1713613
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Basic Information
| ChEMBL ID | CHEMBL1713613 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GJANYQFETOVQHN-UHFFFAOYSA-N |
| Parent Compound | CHEMBL110503 |
| Active Moiety | CHEMBL110503 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
421.5
MW (Da)
5.29
ALogP
5
HBA
2
HBD
80.3
PSA (Ų)
0.40
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nuclear receptor coactivator 3 CHEMBL1615382 | IC50 | 6.0 | 6.0 | 1008.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nuclear receptor coactivator 3 | IC50 | = | 1008.0 | nM | 6.0 | PUBCHEM_BIOASSAY: Counterscreen for inhibitors of the Steroid Receptor Coactivat... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 536990 | 10.1021/jm00198a005 | L1210 | 3 |
| 370390 | 10.1021/jm00189a006 | Salmonella typhimurium | 2 |
| 536990 | 10.1021/jm00198a005 | No relevant target | 2 |
| 536990 | 10.1021/jm00198a005 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine