Compound Detail
CHEMBL3360783
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C=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@]2(C)[C@@H]([C@H](C)CCCOS(=O)(=O)c3ccc(C)cc3)CC[C@@H]12
Basic Information
| ChEMBL ID | CHEMBL3360783 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AZKXCNCXNFDOFT-MXCOKSJOSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
512.8
MW (Da)
7.29
ALogP
4
HBA
1
HBD
63.6
PSA (Ų)
0.29
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 1,25-dihydroxyvitamin D(3) 24-hydroxylase, mitochondrial CHEMBL4521 | Ki | 7.41 | 7.41 | 39.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 1,25-dihydroxyvitamin D(3) 24-hydroxylase, mitochondrial | Ki | = | 39.0 | nM | 7.41 | Inhibition of human MBP-tagged CYP24A1 expressed in Escherichia coli using 1,25(... | 25148392 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25148392 | 10.1021/jm5009314 | 1,25-dihydroxyvitamin D(3) 24-hydroxylase, mitochondrial | 1 |
Data from ChEMBL 36 via Core Engine