Compound Detail
CHEMBL1536
ERGOCALCIFEROL 💊 Approved Drug
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
💊 Approved Drug
C=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@]2(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC[C@@H]12
Basic Information
| ChEMBL ID | CHEMBL1536 |
| Name | ERGOCALCIFEROL |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | MECHNRXZTMCUDQ-RKHKHRCZSA-N |
| Therapeutic | ✓ Yes |
5
Targets
6
Activities
2
Assay Types
0
PK Parameters
20
Publications
23
Known Names
20
Indications
1
Mechanisms
Molecular Properties
396.7
MW (Da)
7.64
ALogP
1
HBA
1
HBD
20.2
PSA (Ų)
0.47
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 1941 |
| Availability | Prescription |
| Chirality | Single Enantiomer |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Vitamin D receptor agonist | AGONIST | Vitamin D3 receptor | ✓ | ✓ |
Indications
Hypoparathyroidism Hypophosphatemia, Familial Rickets, Hypophosphatemic Alzheimer Disease Asthma Breast Neoplasms Breast Neoplasms Burns Cardiovascular Diseases Cluster Headache Colonic Neoplasms Colonic Neoplasms Coronary Disease Diabetes Mellitus, Type 1 Femoral Neck Fractures Hepatitis C, Chronic Hip Fractures Hypocalcemia Leukemia Lipid Metabolism Disorders
ATC Classification
A11CC01
ergocalciferol
Level 1: ALIMENTARY TRACT AND METABOLISM
Level 2: VITAMINS
Activity Summary
IC50 5 meas. best 4.55
EC50 1 meas. best 5.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatitis C virus CHEMBL379 | EC50 | 5.42 | 5.42 | 3800.0 | 1 |
| GroEL/GroES CHEMBL4106139 | IC50 | 4.55 | 4.47 | 28000.0 | 2 |
| HSP60/HSP10 CHEMBL4106131 | IC50 | 4.35 | 4.35 | 45000.0 | 1 |
| Bile salt export pump CHEMBL6020 | IC50 | 4.12 | 4.12 | 75800.0 | 1 |
| Thiosulfate sulfurtransferase CHEMBL4295835 | IC50 | 4.03 | 4.03 | 94000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatitis C virus | EC50 | = | 3800.0 | nM | 5.42 | Antiviral activity against HCV assessed as inhibition of HCV RNA replication in ... | 17420205 |
| GroEL/GroES | IC50 | = | 28000.0 | nM | 4.55 | Inhibition of Escherichia coli GroEL expressed in Escherichia coliDH5alpha/Esche... | 30852084 |
| GroEL/GroES | IC50 | = | 41000.0 | nM | 4.39 | Inhibition of Escherichia coli GroEL expressed in Escherichia coli DH5alpha/Esch... | 30852084 |
| HSP60/HSP10 | IC50 | = | 45000.0 | nM | 4.35 | Inhibition of human N-terminal octa-His-tagged HSP60 expressed in Escherichia co... | 30852084 |
| Bile salt export pump | IC50 | = | 75800.0 | nM | 4.12 | Inhibition of human BSEP overexpressed in Sf9 cell membrane vesicles assessed as... | 23956101 |
| Thiosulfate sulfurtransferase | IC50 | = | 94000.0 | nM | 4.03 | Inhibition of native rhodanese (unknown origin) assessed as reduction in rhodane... | 30852084 |
Literature References
Data from ChEMBL 36 via Core Engine