| Stem definition | Drug id | CAS RN |
|---|---|---|
| calcium metabolism regulator, pharmaceutical aid | 1098 | 2809-21-4 |
| Dose | Unit | Route |
|---|---|---|
| 0.40 | g | O |
| 1.50 | g | P |
| 0.40 | g | O |
| Property | Value | Reference |
|---|---|---|
| BDDCS (Biopharmaceutical Drug Disposition Classification System) | 3 | Benet LZ, Broccatelli F, Oprea TI |
| EoM (Fraction excreted unchanged in urine) | 50 % | Benet LZ, Broccatelli F, Oprea TI |
| MRTD (Maximum Recommended Therapeutic Daily Dose) | 97.07 ยตM/kg/day | Contrera JF, Matthews EJ, Kruhlak NL, Benz RD |
| BA (Bioavailability) | 5 % | Kim MT, Sedykh A, Chakravarti SK, Saiakhov RD, Zhu H |
| Date | Agency | Company | Orphan |
|---|---|---|---|
| Sept. 1, 1977 | FDA | PROCTER AND GAMBLE |
| MedDRA adverse event term | Likelihood ratio | Likelihood ratio threshold | Patients taking drug having adverse event | Patients taking drug not having adverse event | Patients not taking drug having adverse event | Patients not taking drug not having adverse event |
|---|---|---|---|---|---|---|
| Venous pressure jugular increased | 104.71 | 54.89 | 16 | 924 | 561 | 63487521 |
| Kyphosis | 93.29 | 54.89 | 18 | 922 | 2522 | 63485560 |
| Rectal prolapse | 84.98 | 54.89 | 16 | 924 | 1967 | 63486115 |
| Bundle branch block left | 69.82 | 54.89 | 17 | 923 | 7042 | 63481040 |
| Atypical femur fracture | 63.79 | 54.89 | 15 | 925 | 5357 | 63482725 |
| Upper-airway cough syndrome | 57.11 | 54.89 | 16 | 924 | 11402 | 63476680 |
| Blood test abnormal | 56.43 | 54.89 | 17 | 923 | 15612 | 63472470 |
None
| MedDRA adverse event term | Likelihood ratio | Likelihood ratio threshold | Patients taking drug having adverse event | Patients taking drug not having adverse event | Patients not taking drug having adverse event | Patients not taking drug not having adverse event |
|---|---|---|---|---|---|---|
| Venous pressure jugular increased | 94.39 | 53.66 | 16 | 953 | 1324 | 79742095 |
| Kyphosis | 89.49 | 53.66 | 17 | 952 | 2674 | 79740745 |
| Rectal prolapse | 86.63 | 53.66 | 16 | 953 | 2162 | 79741257 |
| Atypical femur fracture | 84.01 | 53.66 | 18 | 951 | 5171 | 79738248 |
| Bundle branch block left | 64.89 | 53.66 | 17 | 952 | 11496 | 79731923 |
| Upper-airway cough syndrome | 59.86 | 53.66 | 16 | 953 | 11677 | 79731742 |
| Blood test abnormal | 57.64 | 53.66 | 17 | 952 | 17693 | 79725726 |
None
| Source | Code | Description |
|---|---|---|
| ATC | M05BA01 | MUSCULO-SKELETAL SYSTEM DRUGS FOR TREATMENT OF BONE DISEASES DRUGS AFFECTING BONE STRUCTURE AND MINERALIZATION Bisphosphonates |
| ATC | M05BB01 | MUSCULO-SKELETAL SYSTEM DRUGS FOR TREATMENT OF BONE DISEASES DRUGS AFFECTING BONE STRUCTURE AND MINERALIZATION Bisphosphonates, combinations |
| FDA CS | M0006519 | Diphosphonates |
| FDA EPC | N0000175579 | Bisphosphonate |
| CHEBI has role | CHEBI:35610 | antineoplastic agents |
| CHEBI has role | CHEBI:38161 | Chelating agent |
| CHEBI has role | CHEBI:50646 | antiosteoporotic |
| MeSH PA | D050071 | Bone Density Conservation Agents |
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Osteitis deformans | indication | 2089002 | DOID:5408 |
| Humoral hypercalcemia of malignancy | indication | 47709007 | |
| Heterotopic ossification | indication | 128491006 | |
| Prevention of Glucocorticoid-Induced Osteoporosis | off-label use | ||
| Gastritis | contraindication | 4556007 | DOID:4029 |
| Hypocalcemia | contraindication | 5291005 | |
| Peptic ulcer | contraindication | 13200003 | DOID:750 |
| Esophagitis | contraindication | 16761005 | DOID:11963 |
| Hyperphosphatemia | contraindication | 20165001 | DOID:0050459 |
| Swallowing painful | contraindication | 30233002 | |
| Ulcer of esophagus | contraindication | 30811009 | |
| Vitamin D deficiency | contraindication | 34713006 | |
| Infectious disease | contraindication | 40733004 | |
| Dysphagia | contraindication | 40739000 | |
| Periodontitis | contraindication | 41565005 | DOID:824 |
| Enterocolitis | contraindication | 43752006 | |
| Achalasia of esophagus | contraindication | 45564002 | DOID:9164 |
| Stricture of esophagus | contraindication | 63305008 | |
| Blood coagulation disorder | contraindication | 64779008 | DOID:1247 |
| Duodenitis | contraindication | 72007001 | DOID:8643 |
| Heart failure | contraindication | 84114007 | DOID:6000 |
| Kidney disease | contraindication | 90708001 | DOID:557 |
| Fracture of bone | contraindication | 125605004 | |
| Asthma | contraindication | 195967001 | DOID:2841 |
| Esophageal dysmotility | contraindication | 266434009 | DOID:9192 |
| Anemia | contraindication | 271737000 | DOID:2355 |
| Primary malignant neoplasm | contraindication | 372087000 | |
| Aseptic necrosis of bone of jaw | contraindication | 441809006 | |
| Invasive Dental Procedure | contraindication |
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 1.29 | acidic |
| pKa2 | 5.36 | acidic |
| pKa3 | 6.35 | acidic |
| pKa4 | 10.42 | acidic |
| pKa5 | 12.86 | acidic |
None
None
| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Type IV secretion-like conjugative transfer relaxase protein TraI | Unclassified | Ki | 8.52 | CHEMBL |
| ID | Source |
|---|---|
| N0000007216 | NUI |
| D00314 | KEGG_DRUG |
| 7414-83-7 | SECONDARY_CAS_RN |
| 4018878 | VANDF |
| 4019753 | VANDF |
| C0015121 | UMLSCUI |
| CHEBI:4907 | CHEBI |
| 911 | PDB_CHEM_ID |
| CHEMBL871 | ChEMBL_ID |
| DB01077 | DRUGBANK_ID |
| CHEMBL1201042 | ChEMBL_ID |
| D012968 | MESH_DESCRIPTOR_UI |
| 3305 | PUBCHEM_CID |
| 7184 | IUPHAR_LIGAND_ID |
| 2758 | INN_ID |
| M2F465ROXU | UNII |
| 1356715 | RXNORM |
| 4706 | MMSL |
| 81273 | MMSL |
| d00599 | MMSL |
| 002143 | NDDF |
| 004883 | NDDF |
| 372908005 | SNOMEDCT_US |
| 387581008 | SNOMEDCT_US |
| 420702005 | SNOMEDCT_US |
| 96284009 | SNOMEDCT_US |
None