| Stem definition | Drug id | CAS RN |
|---|---|---|
| 987 | 60-00-4 |
None
| Property | Value | Reference |
|---|---|---|
| BDDCS (Biopharmaceutical Drug Disposition Classification System) | 3 | Benet LZ, Broccatelli F, Oprea TI |
| S (Water solubility) | 91 mg/mL | Benet LZ, Broccatelli F, Oprea TI |
| EoM (Fraction excreted unchanged in urine) | 95 % | Benet LZ, Broccatelli F, Oprea TI |
| MRTD (Maximum Recommended Therapeutic Daily Dose) | 66.03 ยตM/kg/day | Contrera JF, Matthews EJ, Kruhlak NL, Benz RD |
| Date | Agency | Company | Orphan |
|---|---|---|---|
| July 16, 1953 | FDA | MEDICIS |
| 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 |
|---|---|---|---|---|---|---|
| Gastrointestinal toxicity | 387.06 | 99.62 | 81 | 2021 | 7660 | 63479260 |
| Pulmonary toxicity | 365.32 | 99.62 | 80 | 2022 | 9375 | 63477545 |
| Neoplasm malignant | 278.41 | 99.62 | 81 | 2021 | 29780 | 63457140 |
| Joint injury | 274.74 | 99.62 | 80 | 2022 | 29492 | 63457428 |
| Hepatotoxicity | 261.18 | 99.62 | 81 | 2021 | 36960 | 63449960 |
| C-reactive protein abnormal | 227.82 | 99.62 | 77 | 2025 | 46019 | 63440901 |
| Joint stiffness | 203.11 | 99.62 | 69 | 2033 | 41800 | 63445120 |
| Therapy non-responder | 200.81 | 99.62 | 80 | 2022 | 75821 | 63411099 |
| Musculoskeletal pain | 189.01 | 99.62 | 81 | 2021 | 92196 | 63394724 |
| Musculoskeletal stiffness | 135.78 | 99.62 | 81 | 2021 | 184537 | 63302383 |
| Treatment failure | 127.61 | 99.62 | 80 | 2022 | 198963 | 63287957 |
| Therapeutic product effect incomplete | 119.02 | 99.62 | 65 | 2037 | 124991 | 63361929 |
| Infection | 117.30 | 99.62 | 80 | 2022 | 229093 | 63257827 |
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 |
|---|---|---|---|---|---|---|
| Gastrointestinal toxicity | 224.43 | 84.61 | 48 | 1600 | 8061 | 79734679 |
| Pulmonary toxicity | 202.19 | 84.61 | 48 | 1600 | 12866 | 79729874 |
| Joint injury | 160.01 | 84.61 | 48 | 1600 | 31287 | 79711453 |
| Neoplasm malignant | 159.30 | 84.61 | 48 | 1600 | 31762 | 79710978 |
| Joint stiffness | 143.44 | 84.61 | 47 | 1601 | 40783 | 79701957 |
| Hepatotoxicity | 136.70 | 84.61 | 48 | 1600 | 51304 | 79691436 |
| C-reactive protein abnormal | 124.09 | 84.61 | 44 | 1604 | 48323 | 79694417 |
| Therapy non-responder | 106.13 | 84.61 | 47 | 1601 | 92258 | 79650482 |
| Musculoskeletal pain | 104.62 | 84.61 | 48 | 1600 | 102306 | 79640434 |
None
| Source | Code | Description |
|---|---|---|
| FDA PE | N0000008556 | Decreased Coagulation Factor Activity |
| FDA MoA | N0000175089 | Calcium Chelating Activity |
| CHEBI has role | CHEBI:38161 | Chelating agent |
| CHEBI has role | CHEBI:50247 | antidotes |
| CHEBI has role | CHEBI:50249 | anticoagulants |
| CHEBI has role | CHEBI:166831 | copper chelator |
| CHEBI has role | CHEBI:176497 | geroprotectors |
| MeSH PA | D000925 | Anticoagulants |
| MeSH PA | D065096 | Calcium Chelating Agents |
| MeSH PA | D002614 | Chelating Agents |
| MeSH PA | D005503 | Food Additives |
| MeSH PA | D006401 | Hematologic Agents |
| MeSH PA | D064449 | Sequestering Agents |
| FDA MoA | N0000175962 | Lead Chelating Activity |
| FDA EPC | N0000175963 | Lead Chelator |
| FDA EPC | N0000175980 | Anti-coagulant |
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Digitalis toxicity by EKG | indication | 6412007 | |
| Hypercalcemia | indication | 66931009 | DOID:12678 |
| Accidental poisoning by lead and its compounds and fumes | indication | 216777009 | |
| Cerebral edema | contraindication | 2032001 | |
| Anuria | contraindication | 2472002 | DOID:2983 |
| Hypocalcemia | contraindication | 5291005 | |
| Dehydration | contraindication | 34095006 | |
| Hypokalemia | contraindication | 43339004 | |
| Chronic heart failure | contraindication | 48447003 | |
| Acute nephropathy | contraindication | 58574008 | |
| Oliguria | contraindication | 83128009 | |
| Epilepsy | contraindication | 84757009 | DOID:1826 |
| Kidney disease | contraindication | 90708001 | DOID:557 |
| Inflammatory disease of liver | contraindication | 128241005 | |
| Pulmonary tuberculosis | contraindication | 154283005 | DOID:2957 |
| Disease of liver | contraindication | 235856003 | DOID:409 |
| Lesion of brain | contraindication | 301766008 |
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 0.96 | acidic |
| pKa2 | 1.56 | acidic |
| pKa3 | 2.15 | acidic |
| pKa4 | 2.75 | acidic |
| pKa5 | 10.12 | Basic |
| pKa6 | 6.12 | Basic |
None
| Formulation strength | Trade name | Applicant | Application number | Approval date | Type | Dose form | Route | Exclusivity date | Description |
|---|---|---|---|---|---|---|---|---|---|
| 200MG/ML | EDETATE CALCIUM DISODIUM | CASPER PHARMA LLC | A216435 | May 3, 2023 | RX | INJECTABLE | INJECTION | Jan. 8, 2024 | COMPETITIVE GENERIC THERAPY |
| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Angiotensin-converting enzyme | Enzyme | IC50 | 4.85 | CHEMBL | |||||
| Ceramide glucosyltransferase | Enzyme | WOMBAT-PK | |||||||
| Amyloid beta A4 protein | Unclassified | IC50 | 5.11 | CHEMBL | |||||
| Eyes absent homolog 2 | Enzyme | IC50 | 4.19 | CHEMBL | |||||
| Beta-lactamase | Enzyme | IC50 | 4.55 | CHEMBL | |||||
| Beta-lactamase VIM-1; Class B carbapenemase VIM-1; Metallo-beta-lactamase; Metallo-beta-lactamase VIM-1; Metallobeta-lactamase; VIM-1; VIM-1 metallo-beta lactamase; VIM-1 metallo-beta-lactamase; VIM-1 | Unclassified | IC50 | 5.03 | CHEMBL | |||||
| cAMP-specific 3',5'-cyclic phosphodiesterase 4B | Enzyme | IC50 | 4.13 | CHEMBL |
| ID | Source |
|---|---|
| 4031052 | VUID |
| N0000183560 | NUI |
| D00052 | KEGG_DRUG |
| 6381-92-6 | SECONDARY_CAS_RN |
| 6766-87-6 | SECONDARY_CAS_RN |
| 4017473 | VANDF |
| 4017479 | VANDF |
| 4017590 | VANDF |
| 4018923 | VANDF |
| 4031052 | VANDF |
| C0013618 | UMLSCUI |
| CHEBI:4735 | CHEBI |
| EDT | PDB_CHEM_ID |
| CHEMBL858 | ChEMBL_ID |
| CHEMBL1749 | ChEMBL_ID |
| CHEMBL3989507 | ChEMBL_ID |
| DB00974 | DRUGBANK_ID |
| CHEMBL3989522 | ChEMBL_ID |
| D004492 | MESH_DESCRIPTOR_UI |
| 6049 | PUBCHEM_CID |
| 534 | INN_ID |
| 9G34HU7RV0 | UNII |
| 1903 | RXNORM |
| 23 | MMSL |
| 30988 | MMSL |
| 3413 | MMSL |
| 4651 | MMSL |
| 4652 | MMSL |
| 728 | MMSL |
| NOCODE | MMSL |
| d00742 | MMSL |
| d01403 | MMSL |
| 001090 | NDDF |
| 001091 | NDDF |
| 002560 | NDDF |
| 003785 | NDDF |
| 387418006 | SNOMEDCT_US |
| 387428002 | SNOMEDCT_US |
| 69519002 | SNOMEDCT_US |
| CHEMBL1200375 | ChEMBL_ID |
| Product | Category | Ingredients | NDC | Form | Quantity | Route | Marketing | Label |
|---|---|---|---|---|---|---|---|---|
| Clinplant | HUMAN OTC DRUG LABEL | 1 | 47649-0002 | GEL, DENTIFRICE | 24 g | DENTAL | unapproved drug other | 7 sections |
| Edetate Calcium Disodium | Human Prescription Drug Label | 1 | 64980-588 | INJECTION | 200 mg | INTRAMUSCULAR | ANDA | 23 sections |
| Edetate Calcium Disodium | Human Prescription Drug Label | 1 | 70199-034 | INJECTION | 200 mg | INTRAMUSCULAR | ANDA | 23 sections |
| YIGANERJING SuifurSoap | HUMAN OTC DRUG LABEL | 3 | 71939-003 | SOAP | 0.07 g | TOPICAL | unapproved drug other | 7 sections |
| YIGANERJING SuifurSoap | HUMAN OTC DRUG LABEL | 3 | 71939-003 | SOAP | 0.07 g | TOPICAL | unapproved drug other | 7 sections |
| MIIN FOOT | HUMAN OTC DRUG LABEL | 4 | 72988-0014 | LIQUID | 0.05 g | TOPICAL | OTC monograph not final | 7 sections |
| Miracle FootCream Lavender | HUMAN OTC DRUG LABEL | 4 | 82145-0005 | CREAM | 0.05 g | TOPICAL | unapproved drug other | 7 sections |
| Miracle FootCream Lemon | HUMAN OTC DRUG LABEL | 4 | 82145-0006 | CREAM | 0.05 g | TOPICAL | unapproved drug other | 7 sections |
| Anubis Barcelona | HUMAN OTC DRUG LABEL | 12 | 83021-495 | CONCENTRATE | 0 g | TOPICAL | OTC monograph final | 9 sections |
| Anubis Barcelona | HUMAN OTC DRUG LABEL | 12 | 83021-495 | CONCENTRATE | 0 g | TOPICAL | OTC monograph final | 9 sections |
| Anubis Barcelona | HUMAN OTC DRUG LABEL | 13 | 83021-839 | CONCENTRATE | 0 g | TOPICAL | OTC monograph final | 9 sections |
| Anubis Barcelona | HUMAN OTC DRUG LABEL | 13 | 83021-839 | CONCENTRATE | 0 g | TOPICAL | OTC monograph final | 9 sections |
| Calcium Disodium Versenate | HUMAN PRESCRIPTION DRUG LABEL | 1 | 99207-240 | INJECTION | 200 mg | INTRAMUSCULAR | NDA | 25 sections |