Compound Detail
CHEMBL1734496
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CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C=O)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1.O=S(=O)(O)O
Basic Information
| ChEMBL ID | CHEMBL1734496 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AQTQHPDCURKLKT-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1740907 |
| Active Moiety | CHEMBL1740907 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
825.0
MW (Da)
3.52
ALogP
12
HBA
3
HBD
171.2
PSA (Ų)
0.13
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nuclear receptor subfamily 0 group B member 1 CHEMBL1795094 | IC50 | 6.41 | 6.41 | 386.1 | 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 | = | 386.05 | nM | 6.41 | PubChem BioAssay. Luminescence-based cell-based high throughput dose response as... | - |
Data from ChEMBL 36 via Core Engine