Compound Detail
CHEMBL2105611
TACALCITOL 🧪 Phase III
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
🧪 Phase III
C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]([C@H](C)CC[C@@H](O)C(C)C)CC[C@@H]23)C[C@@H](O)C[C@@H]1O
Basic Information
| ChEMBL ID | CHEMBL2105611 |
| Name | TACALCITOL |
| Phase | Phase III |
| Structure Type | MOL |
| InChI Key | BJYLYJCXYAMOFT-RSFVBTMBSA-N |
| Therapeutic | ✓ Yes |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
13
Publications
4
Known Names
2
Indications
Molecular Properties
416.6
MW (Da)
5.56
ALogP
3
HBA
3
HBD
60.7
PSA (Ų)
0.53
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Indications
Psoriasis Psoriasis
ATC Classification
D05AX04
tacalcitol
Level 1: DERMATOLOGICALS
Level 2: ANTIPSORIATICS
Activity Summary
IC50 2 meas. best 7.24
EC50 1 meas. best 8.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vitamin D3 receptor CHEMBL1977 | EC50 | 8.15 | 8.15 | 7.0 | 1 |
| MCF7 CHEMBL387 | IC50 | 7.24 | 7.24 | 57.0 | 1 |
| HaCaT CHEMBL614392 | IC50 | 5.68 | 5.68 | 2070.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vitamin D3 receptor | EC50 | = | 7.05 | nM | 8.15 | Agonist activity at VDR in human HL60 cells assessed as induction of cell differ... | 24099996 |
| MCF7 | IC50 | = | 57.0 | nM | 7.24 | Cytotoxicity against human MCF7 cells after 48 hrs by MTT assay | 24099996 |
| HaCaT | IC50 | = | 2070.0 | nM | 5.68 | Cytotoxicity against human HaCaT cells after 48 hrs by MTT assay | 24099996 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 10091688 | 10.1016/s0960-894x(99)00013-x | Vitamin D3 receptor | 1 |
| 10091688 | 10.1016/s0960-894x(99)00013-x | HL-60 | 1 |
| 2993611 | 10.1021/jm00147a005 | HL-60 | 1 |
| 2993611 | 10.1021/jm00147a005 | Vitamin D3 receptor | 1 |
| 24099996 | 10.1016/j.ejmech.2013.09.015 | Mus musculus | 1 |
| 24099996 | 10.1016/j.ejmech.2013.09.015 | MCF7 | 1 |
| 24099996 | 10.1016/j.ejmech.2013.09.015 | HaCaT | 1 |
| 24099996 | 10.1016/j.ejmech.2013.09.015 | Vitamin D3 receptor | 1 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| - | 10.1101/2020.04.21.054387 | SARS-CoV-2 | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
Data from ChEMBL 36 via Core Engine