Drug Details
| General Information of the Drug (ID: DR0619) | ||||
|---|---|---|---|---|
| Name |
Paricalcitol
|
|||
| Synonyms |
Paricalcitol; 131918-61-1; Zemplar; 19-Nor-1alpha,25-dihydroxyvitamin D2; Compound 49510; UNII-6702D36OG5; Compound-49510; CHEBI:7931; 6702D36OG5; (1R,3R)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5S)-6-hydroxy-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]cyclohexane-1,3-diol; (1R,3R,7E)-17beta-[(2R,3E,5S)-6-hydroxy-5,6-dimethylhept-3-en-2-yl]-9,10-secoestra-5,7-diene-1,3-diol; NCGC00182706-01; Paracalcin; 19-Nor-1,25-(OH)2D2; Zemplar (TN); 19-Nor-1-alpha,25-dihydroxyvitamin D2; HSDB 7360; Paricalcitol [USAN:USP:INN]; ABT-358; (7E,22E)-19-Nor-9,10-secoergosta-5,7,22-triene-1alpha,3beta,25-triol; Paricalcitol solution; PubChem18825; (1alpha.3beta,7E,22E)-19-Nor-9,10-secoergosta-5,7,22-triene-1,3,25-triol; SCHEMBL3655; DSSTox_CID_28566; DSSTox_RID_82838; DSSTox_GSID_48640; BIDD:GT0330; Paricalcitol (JAN/USP/INN); GTPL2791; CHEMBL1200622; DTXSID4048640; AMY2878; BDBM233195; (1R,3R)-5-{2-[(1R,3aS,4E,7aR)-1-[(2R,3E,5S)-6-hydroxy-5,6-dimethylhept-3-en-2-yl]-7a-methyl-octahydro-1H-inden-4-ylidene]ethylidene}cyclohexane-1,3-diol; ACT07192; EX-A4434; 19-Nor-1,25-dihydroxyvitamin D2; Tox21_112987; LMST04030163; s6681; ZINC13911941; AKOS005145562; AC-1198; BCP9001050; CS-0705; DB00910; 19-Nor-9,10-secoergosta-5,7,22-triene-1,3,25-triol, (1alpha,3beta,7E,22E)-; HY-50919; CAS-131918-61-1; C08127; D00930; W-5365; 918P611; Q155746; (1R,3R,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-octahydro-1-[(1R,2E,4S)-5-hydroxy-1,4,5-trimethyl-2-hexen-1-yl]-7a-methyl-4H-inden-4-ylidene]ethylidene]-1,3-cyclohexanediol; 1,3-Cyclohexanediol, 5-[(2E)-2-[(1R,3aS,7aR)-octahydro-1-[(1R,2E,4S)-5-hydroxy-1,4,5-trimethyl-2-hexen-1-yl]-7a-methyl-4H-inden-4-ylidene]ethylidene]-, (1R,3R,5Z)-
Click to Show/Hide
|
|||
| Molecular Type |
Small molecule
|
|||
| Disease | Hyper-parathyroidism [ICD-11: 5A51] | Approved | [1] | |
| Structure |
|
Click to Download Mol2D MOL |
||
| ADMET Property |
Absorption
The drug is well absorbed
BDDCS Class
Biopharmaceutics Drug Disposition Classification System (BDDCS) Class 2: low solubility and high permeability
Bioavailability
72% of drug becomes completely available to its intended biological destination(s)
Clearance
The drug present in the plasma can be removed from the body at the rate of 0.89 mL/min/kg
Elimination
0% of drug is excreted from urine in the unchanged form
Half-life
The concentration or amount of drug in body reduced by one-half in 4 - 6 hours
Metabolism
The drug is metabolized via the multiple hepatic and non-hepatic enzymes, including mitochondrial CYP24, as well as CYP3A4 and UGT1A4
MRTD
The Maximum Recommended Therapeutic Dose (MRTD) of drug that ensured maximising efficacy and moderate side effect is 0.000103 micromolar/kg/day
Unbound Fraction
The unbound fraction of drug in plasma is 0.0016%
Vd
The volume of distribution (Vd) of drug is 30.8 +/- 7.5 L
Click to Show/Hide
|
|||
| Click to Show/Hide the Molecular Information and External Link(s) of This Natural Product | ||||
| Formula |
C27H44O3
|
|||
| PubChem CID | ||||
| Canonical SMILES |
CC(C=CC(C)C(C)(C)O)C1CCC2C1(CCCC2=CC=C3CC(CC(C3)O)O)C
|
|||
| InChI |
1S/C27H44O3/c1-18(8-9-19(2)26(3,4)30)24-12-13-25-21(7-6-14-27(24,25)5)11-10-20-15-22(28)17-23(29)16-20/h8-11,18-19,22-25,28-30H,6-7,12-17H2,1-5H3/b9-8+,21-11+/t18-,19+,22-,23-,24-,25+,27-/m1/s1
|
|||
| InChIKey |
BPKAHTKRCLCHEA-UBFJEZKGSA-N
|
|||
| CAS Number |
CAS 131918-61-1
|
|||
| ChEBI ID | ||||
| TTD Drug ID | ||||
| DrugBank ID | ||||
| Combinatorial Therapeutic Effect(s) Validated Clinically or Experimentally | ||||||
|---|---|---|---|---|---|---|
| α. A List of Natural Product(s) Able to Enhance the Efficacy of This Drug | ||||||
| Trandolapril | Homo sapiens | Click to Show/Hide the Molecular Data of This NP | ||||
| Achieving Therapeutic Synergy | Click to Show/Hide | |||||
| Representative Experiment Reporting the Effect of This Combination | [2] | |||||
| Detail(s) |
Combination Info
click to show the detail info of this combination
|
|||||
| Molecule(s)
Regulation |
Down-regulation | Expression | CCL5 | Molecule Info |
Pathway MAP
|
|
| Down-regulation | Expression | COL1A1 | Molecule Info |
Pathway MAP
|
||
| Down-regulation | Expression | COL3A1 | Molecule Info |
Pathway MAP
|
||
| Down-regulation | Expression | FN1 | Molecule Info |
Pathway MAP
|
||
| Down-regulation | Expression | REN | Molecule Info |
Pathway MAP
|
||
| Down-regulation | Expression | SNAI1 | Molecule Info |
Pathway MAP
|
||
| Down-regulation | Expression | TNF | Molecule Info |
Pathway MAP
|
||
| Down-regulation | Expression | VIM | Molecule Info |
Pathway MAP
|
||
| Experimental
Result(s) |
Combination therapy had additive efficacy in retarding renal scar formation during obstructive nephropathy. | |||||
| Tretinoin | Homo sapiens | Click to Show/Hide the Molecular Data of This NP | ||||
| Achieving Therapeutic Synergy | Click to Show/Hide | |||||
| Representative Experiment Reporting the Effect of This Combination | [2] | |||||
| Detail(s) |
Combination Info
click to show the detail info of this combination
|
|||||
| Molecule(s)
Regulation |
Down-regulation | Expression | SNAI1 | Molecule Info |
Pathway MAP
|
|
| Down-regulation | Expression | VIM | Molecule Info |
Pathway MAP
|
||
| In-vivo Model | The animal model was established by unilateral ureteral obstruction (UUO) in male CD-1 mice. | |||||
| Experimental
Result(s) |
Combination therapy of paricalcitol and trandolapril had additive efficacy in retarding renal scar formation during obstructive nephropathy. | |||||
| Target and Pathway | ||||
|---|---|---|---|---|
| Target(s) | Vitamin D3 receptor (VDR) | Molecule Info | [3] | |
| KEGG Pathway | Endocrine and other factor-regulated calcium reabsorption | Click to Show/Hide | ||
| 2 | Mineral absorption | |||
| 3 | Tuberculosis | |||
| NetPath Pathway | IL4 Signaling Pathway | Click to Show/Hide | ||
| Panther Pathway | Vitamin D metabolism and pathway | Click to Show/Hide | ||
| Pathway Interaction Database | Regulation of nuclear SMAD2/3 signaling | Click to Show/Hide | ||
| 2 | Direct p53 effectors | |||
| 3 | RXR and RAR heterodimerization with other nuclear receptor | |||
| 4 | Retinoic acid receptors-mediated signaling | |||
| 5 | Validated transcriptional targets of deltaNp63 isoforms | |||
| 6 | Validated transcriptional targets of TAp63 isoforms | |||
| Reactome | Nuclear Receptor transcription pathway | Click to Show/Hide | ||
| WikiPathways | Ovarian Infertility Genes | Click to Show/Hide | ||
| 2 | Nuclear Receptors in Lipid Metabolism and Toxicity | |||
| 3 | Nuclear Receptors Meta-Pathway | |||
| 4 | Vitamin D Receptor Pathway | |||
| 5 | Drug Induction of Bile Acid Pathway | |||
| 6 | Nuclear Receptors | |||
| 7 | Vitamin D Metabolism | |||
