Calcipotriol 5μM R08 exp464
Mechanism of Action
Synthetic vitamin D3 analog, binds vitamin D nuclear hormone receptor
- Class / Subclass 1: Metabolism / Vitamin
- Class / Subclass 2: Signal Transduction / Nuclear Receptor Ligand
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
- Round: 08
- Dose: 5µM
- Days of incubation: 8
- Doublings: 6.3
- Numbers of reads: 14154949
Screen Results
| Sensitive/Resistant hits (FDR<0.05) | CRANKS | Score Plot | Top 30 Genes | Screen Similarity | Top 30 Sensitive GO terms | Top 30 Resistant GO terms |
|---|---|---|---|---|---|---|
| 0/0 | Scores |
Calcipotriol 5μM R08 exp464
