Table of Contents

Calcipotriol 5μM R08 exp464

Mechanism of Action

Synthetic vitamin D3 analog, binds vitamin D nuclear hormone receptor

Technical Notes

Protein References

  • PubChem Name: Calcipotriol
  • Synonyms: MC 903; Calcipotriene
  • CAS #: 112965-21-6
  • PubChem CID: 5288783
  • IUPAC: (1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5S)-5-cyclopropyl-5-hydroxypent-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
  • INCHI Name: InChI=1S/C27H40O3/c1-17(6-13-25(29)20-8-9-20)23-11-12-24-19(5-4-14-27(23,24)3)7-10-21-15-22(28)16-26(30)18(21)2/h6-7,10,13,17,20,22-26,28-30H,2,4-5,8-9,11-12,14-16H2,1,3H3/b13-6+,19-7+,21-10-/t17-,22-,23-,24+,25-,26+,27-/m1/s1
  • INCHI Key: LWQQLNNNIPYSNX-UROSTWAQSA-N
  • Molecular Weight: 412.6
  • Canonical SMILES: CC(C=CC(C1CC1)O)C2CCC3C2(CCCC3=CC=C4CC(CC(C4=C)O)O)C
  • Isomeric SMILES: C[C@H](/C=C/[C@H](C1CC1)O)[C@H]2CC[C@@H]\\3[C@@]2(CCC/C3=C\\C=C/4\\C[C@H](C[C@@H](C4=C)O)O)C
  • Molecular Formula: C27H40O3

Protein Supplier

  • Supplier Name: Med Chem Express
  • Catalog #: HY-10001
  • Lot #: 18957

Protein Characterization

  • HRMS (ESI-TOF) m/z: (M+Na)+ Calcd for C27H40O3 435.28697; found 435.28817

Dose Response Curve

  • Platform ID: Calcipotriol
  • Min: -20.7096; Max: 79.7081





IC Concentration (µM)
IC10 37.6200
IC20 40.2200
IC30 42.0400
IC40 43.5900
IC50 45.0700
IC60 46.6000
IC70 48.3200
IC80 50.5100
IC90 53.9900


Screen Summary

Screen Results

Sensitive/Resistant hits (FDR<0.05)CRANKSScore PlotTop 30 GenesScreen SimilarityTop 30 Sensitive GO termsTop 30 Resistant GO terms
0/0ScoresViewViewViewViewView