Compound Detail
CHEMBL1200622
PARICALCITOL 💊 Approved Drug
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💊 Approved Drug
C[C@H](/C=C/[C@H](C)C(C)(C)O)[C@H]1CC[C@H]2/C(=C/C=C3C[C@@H](O)C[C@H](O)C3)CCC[C@]12C
Basic Information
| ChEMBL ID | CHEMBL1200622 |
| Name | PARICALCITOL |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | BPKAHTKRCLCHEA-UBFJEZKGSA-N |
| Therapeutic | ✓ Yes |
1
Targets
1
Activities
1
Assay Types
8
PK Parameters
15
Publications
4
Known Names
20
Indications
1
Mechanisms
Molecular Properties
416.6
MW (Da)
5.56
ALogP
3
HBA
3
HBD
60.7
PSA (Ų)
0.51
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 1998 |
| Availability | Prescription |
| Chirality | Single Enantiomer |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Vitamin D receptor agonist | AGONIST | Vitamin D3 receptor | ✓ | ✓ |
Indications
Hyperparathyroidism, Secondary Parathyroid Diseases Renal Insufficiency, Chronic Albuminuria Glomerulonephritis, IGA Hyperparathyroidism Hypertrophy, Left Ventricular Kidney Diseases Proteinuria Carcinoma, Pancreatic Ductal Diabetes Mellitus, Type 2 Diabetic Nephropathies Hypocalcemia Pancreatic Neoplasms Pancreatic Neoplasms Prostatic Neoplasms, Castration-Resistant Breast Neoplasms Multiple Myeloma Neoplasms Neoplasms, Plasma Cell
ATC Classification
H05BX02
paricalcitol
Level 1: SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
Level 2: CALCIUM HOMEOSTASIS
Activity Summary
EC50 1 meas. best 7.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HL-60 CHEMBL383 | EC50 | 7.9 | 7.9 | 12.5 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 0.89 | mL.min-1.kg-1 | Homo sapiens |
| CL | 0.89 | mL.min-1.kg-1 | Homo sapiens |
| CL | 0.9 | mL.min-1.kg-1 | Homo sapiens |
| CL | 0.89 | mL.min-1.kg-1 | Homo sapiens |
| Fu | 0.0016 | - | Homo sapiens |
| Fu | 0.0016 | - | Homo sapiens |
| MRT | 7.7 | hr | Homo sapiens |
| T1/2 | 5.3 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HL-60 | EC50 | = | 12.5 | nM | 7.9 | Induction of human HL60 cell differentiation after 4 days by NBT reduction assay | 24035340 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22194678 | 10.1371/journal.pcbi.1002310 | Hepatotoxicity | 14 |
| 20070106 | 10.1021/jm901371v | Homo sapiens | 8 |
| 18426954 | 10.1124/dmd.108.020479 | ADMET | 4 |
| 19445515 | 10.1021/jm900403j | Homo sapiens | 2 |
| 24035340 | 10.1016/j.bmcl.2013.08.076 | Rattus norvegicus | 2 |
| 26948801 | 10.1016/j.drudis.2016.02.015 | Homo sapiens | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 20070106 | 10.1021/jm901371v | Plasma | 1 |
| 18426954 | 10.1124/dmd.108.020479 | NON-PROTEIN TARGET | 1 |
| 24035340 | 10.1016/j.bmcl.2013.08.076 | ADMET | 1 |
| 24035340 | 10.1016/j.bmcl.2013.08.076 | HL-60 | 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