Compound Detail
CHEMBL4471992
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C=C(c1ccccc1)[C@@]12CC[C@@H](NC(N)=O)[C@@H]1CC(CCCCCC)=C2c1ccccc1
Basic Information
| ChEMBL ID | CHEMBL4471992 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XPASWESTQXPXCV-HFASVGIHSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
428.6
MW (Da)
6.96
ALogP
1
HBA
2
HBD
55.1
PSA (Ų)
0.42
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nuclear receptor subfamily 5 group A member 2 CHEMBL3544 | EC50 | 5.7 | 5.7 | 2000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nuclear receptor subfamily 5 group A member 2 | EC50 | = | 2000.0 | nM | 5.7 | Agonist activity at human full length LRH1 transfected in human HeLa cells incub... | 31419141 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31419141 | 10.1021/acs.jmedchem.9b00753 | Nuclear receptor subfamily 5 group A member 2 | 2 |
Data from ChEMBL 36 via Core Engine