Compound Detail
CHEMBL2361294
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C=C1[C@@H](C)C2[C@H](Cc3ccccc3)NC(=O)[C@]23[C@H](OC(C)=O)/C=C/[C@@](C)(O)C(=O)[C@@H](C)C/C=C/[C@H]3[C@@H]1O
Basic Information
| ChEMBL ID | CHEMBL2361294 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SDZRWUKZFQQKKV-HSOBIQAGSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
507.6
MW (Da)
2.92
ALogP
6
HBA
3
HBD
112.9
PSA (Ų)
0.43
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nuclear receptor subfamily 0 group B member 1 CHEMBL1795094 | IC50 | 4.85 | 4.85 | 14029.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nuclear receptor subfamily 0 group B member 1 | IC50 | = | 14029.0 | nM | 4.85 | PubChem BioAssay. Luminescence-based cell-based high throughput dose response as... | - |
Data from ChEMBL 36 via Core Engine