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Compound Detail

CHEMBL1214509

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C=C1[C@H](O)CC(=C/C=C2\CCC[C@]3(C)[C@@H]([C@H](C)[C@H](CCO)CCCC)CC[C@@H]23)C[C@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1214509
Phase Preclinical
Structure Type MOL
InChI Key YCUJKCRUXHIWHW-AGPXJEMRSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

430.7
MW (Da)
5.95
ALogP
3
HBA
3
HBD
60.7
PSA (Ų)
0.42
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H46O3
MW 430.67
Aromatic Rings 0
Heavy Atoms 31
NP-Likeness 2.19

Literature References

PubMed DOI Target Context # Activities
20608741 10.1021/jm100649d Vitamin D3 receptor 4
26515040 10.1016/j.bmc.2015.10.026 Vitamin D3 receptor 2
22512505 10.1021/jm300230a Vitamin D3 receptor 1

Data from ChEMBL 36 via Core Engine