Compound Detail
CHEMBL4110932
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Cc1cc(C2=CC[C@H]3[C@@H]4CCc5cc(C(=O)N(C)CCC(=O)O)ccc5[C@H]4CC[C@]23C)cnn1
Basic Information
| ChEMBL ID | CHEMBL4110932 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QDGAGBMGNWPJJJ-XVTSZCMISA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
459.6
MW (Da)
4.88
ALogP
4
HBA
1
HBD
83.4
PSA (Ų)
0.69
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aldo-keto reductase family 1 member C3 CHEMBL4681 | IC50 | 9.3 | 9.3 | 0.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aldo-keto reductase family 1 member C3 | IC50 | = | 0.5 | nM | 9.3 | Inhibitory Activity Assay: Essentially, the enzyme activity is measured by quant... | - |
Data from ChEMBL 36 via Core Engine