Compound Detail
CHEMBL3360784
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C=C1[C@H](O)CC(=C/C=C2\CCC[C@]3(C)[C@@H]([C@H](C)Cn4ccnc4)CC[C@@H]23)C[C@H]1O
Basic Information
| ChEMBL ID | CHEMBL3360784 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FHDAHQFLZOYWQM-QDYAWOJKSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
396.6
MW (Da)
4.66
ALogP
4
HBA
2
HBD
58.3
PSA (Ų)
0.73
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 1,25-dihydroxyvitamin D(3) 24-hydroxylase, mitochondrial CHEMBL4521 | Ki | 7.68 | 7.68 | 21.0 | 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 | = | 21.0 | nM | 7.68 | 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