LUNACALCIPOL

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: XN4TL6M50Z

Structure
InChI Key RFQHCLMGLJGZNV-UXXOMSPDSA-N
Smile C=C1/C(=C\C=C2/CCC[C@]3(C)C([C@H](C)C/C=C/S(=O)(=O)C(C)(C)C)=CC[C@@H]23)C[C@@H](O)C[C@@H]1O
InChI
InChI=1S/C28H42O4S/c1-19(9-8-16-33(31,32)27(3,4)5)24-13-14-25-21(10-7-15-28(24,25)6)11-12-22-17-23(29)18-26(30)20(22)2/h8,11-13,16,19,23,25-26,29-30H,2,7,9-10,14-15,17-18H2,1,3-6H3/b16-8+,21-11+,22-12-/t19-,23-,25+,26+,28-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C28H42O4S
Molecular Weight 474.71
AlogP 5.8
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 5.0
Polar Surface Area 74.6
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 33.0

Pharmacology

Action Mechanism of Action Reference
AGONIST Vitamin D receptor agonist Other
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Cytochrome P450 Cytochrome P450 family 24 Cytochrome P450 family 24A Cytochrome P450 24A1
- 27 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Psoriasis 2 D011565 ClinicalTrials
Renal Insufficiency, Chronic 2 D051436 ClinicalTrials
Hyperparathyroidism, Secondary 2 D006962 ClinicalTrials
Kidney Failure, Chronic 2 D007676 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL2105705
FDA SRS XN4TL6M50Z
PubChem 10672195
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