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| Stem definition | Drug id | CAS RN |
|---|---|---|
| 3150 | 59-52-9 |
None
| Property | Value | Reference |
|---|---|---|
| BA (Bioavailability) | 0 % | Kim MT, Sedykh A, Chakravarti SK, Saiakhov RD, Zhu H |
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| kinase-safety-class | ACVR2A,ACVR2B,ACVRL1,AKT2,AKT3,ALK,AURKA,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK2,CDK4,CDK5,CDK9,DDR1,DYRK1B,EGFR,EIF2AK3,EPHB4,ERBB2,FLT3,GRK2,GSK3B,IGF1R,ITK,JAK1,JAK2,JAK3,KDR,MAP2K6,MAP3K14,MAP3K21,MAP3K7,MAPK1,MAPK10,MAPK7,MAPK8,MAPK9,MAPKAPK2,MARK4,MET,MTOR,NTRK2,PDK1,PDK2,PDK4,PDPK1,PIK3CA,PIK3CB,PIK3CD,PIM2,PLK1,PRKCD,PRKDC,SIK2,SIK3,STK33,SYK,TEK,TGFBR1,TTK,ULK1,ZAP70 | 65 | |||
| kinase-selectivity-class | ACVRL1,AXL,BMX,BRAF,CAMK2D,CDK1,CDK16,CDK2,CDK3,CDK4,CDK6,CDK7,CDK9,CHUK,CLK2,DYRK1A,GRK2,INSR,IRAK1,IRAK4,MAP2K6,MAP3K21,PDK1,PRKDC,TGFBR1 | 25 | |||
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 |
| Date | Agency | Company | Orphan |
|---|---|---|---|
| May 6, 1946 | FDA | AKORN |
None
None
None
None
| Source | Code | Description |
|---|---|---|
| ATC | V03AB09 | VARIOUS ALL OTHER THERAPEUTIC PRODUCTS ALL OTHER THERAPEUTIC PRODUCTS Antidotes |
| FDA MoA | N0000175472 | Metal Chelating Activity |
| FDA EPC | N0000175473 | Metal Chelator |
| MeSH PA | D002614 | Chelating Agents |
| MeSH PA | D064449 | Sequestering Agents |
| CHEBI has role | CHEBI:38161 | chelator |
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Toxic effect of arsenic AND/OR its compounds | indication | 81844008 | |
| Accidental poisoning by lead and its compounds and fumes | indication | 216777009 | |
| Gold Toxicity | indication | ||
| Mercury Toxicity | indication | ||
| Hypertensive disorder | contraindication | 38341003 | DOID:10763 |
| Poisoning by iron AND/OR its compounds | contraindication | 55381001 | |
| Anemia due to enzyme deficiency | contraindication | 111577008 | |
| Deficiency of glucose-6-phosphate dehydrogenase | contraindication | 124134002 | DOID:2862 |
| Disease of liver | contraindication | 235856003 | DOID:409 |
| Cadmium Toxicity | contraindication |
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 8.91 | acidic |
| pKa2 | 11.55 | acidic |
None
None
| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Beta-lactamase NDM-1 | Enzyme | IC50 | 5.89 | CHEMBL |
| ID | Source |
|---|---|
| 4018102 | VUID |
| N0000146440 | NUI |
| D00167 | KEGG_DRUG |
| 4018102 | VANDF |
| C0012383 | UMLSCUI |
| CHEBI:64198 | CHEBI |
| CHEMBL1597 | ChEMBL_ID |
| 3080 | PUBCHEM_CID |
| DB06782 | DRUGBANK_ID |
| D004112 | MESH_DESCRIPTOR_UI |
| 1614 | INN_ID |
| 0CPP32S55X | UNII |
| 3445 | RXNORM |
| 4606 | MMSL |
| d01401 | MMSL |
| 001087 | NDDF |
| 13664004 | SNOMEDCT_US |
| 387077001 | SNOMEDCT_US |
| Product | Category | Ingredients | NDC | Form | Quantity | Route | Marketing | Label |
|---|---|---|---|---|---|---|---|---|
| BAL | HUMAN PRESCRIPTION DRUG LABEL | 1 | 17478-526 | INJECTION | 100 mg | INTRAMUSCULAR | NDA | 16 sections |