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| Stem definition | Drug id | CAS RN |
|---|---|---|
| cytostatic | 1810 | 58066-85-6 |
| Dose | Unit | Route |
|---|---|---|
| 0.15 | g | O |
None
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| kinase-safety-class | ACVR2A,ACVR2B,ACVRL1,AKT1,AKT2,AKT3,ALK,AURKA,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK4,CDK5,CDK9,DDR1,DYRK1B,EGFR,EIF2AK3,EPHB4,ERBB2,FLT3,GRK2,GSK3B,IGF1R,IKBKB,ITK,JAK1,JAK2,JAK3,MAP2K6,MAP3K21,MAP3K7,MAPK10,MAPK12,MAPK7,MAPK9,MAPKAPK2,MET,MTOR,NTRK2,PDK1,PDK2,PDK4,PDPK1,PIK3CB,PIK3CD,PIK3CG,PIM2,PLK1,PRKCD,PRKDC,SIK2,SIK3,STK33,SYK,TEK,TGFBR1,TTK,ULK1,ZAP70 | 62 | |||
| kinase-selectivity-class | AXL,BRAF,CAMK2D,CDK4,EPHB4,ERBB2,GRK2,MAP2K6,MAPK7,MTOR,PTK2,SIK2,STK33,SYK,TEK,ZAP70 | 16 | |||
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 |
| Date | Agency | Company | Orphan |
|---|---|---|---|
| March 19, 2014 | FDA | KNIGHT THERAPS |
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 |
|---|---|---|---|---|---|---|
| Drug ineffective for unapproved indication | 103.58 | 67.16 | 33 | 477 | 46130 | 42574695 |
| Off label use | 67.71 | 67.16 | 57 | 453 | 638278 | 41982547 |
| 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 |
|---|---|---|---|---|---|---|
| Drug ineffective for unapproved indication | 182.26 | 69.00 | 54 | 713 | 102784 | 110485748 |
| Off label use | 109.95 | 69.00 | 86 | 681 | 1500099 | 109088433 |
| Drug ineffective | 95.94 | 69.00 | 80 | 687 | 1520460 | 109068072 |
None
| Source | Code | Description |
|---|---|---|
| ATC | P01CX04 | ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS ANTIPROTOZOALS AGENTS AGAINST LEISHMANIASIS AND TRYPANOSOMIASIS Other agents against leishmaniasis and trypanosomiasis |
| MeSH PA | D000890 | Anti-Infective Agents |
| MeSH PA | D000935 | Antifungal Agents |
| MeSH PA | D000970 | Antineoplastic Agents |
| MeSH PA | D000977 | Antiparasitic Agents |
| MeSH PA | D000981 | Antiprotozoal Agents |
| FDA EPC | N0000190851 | Antileishmanial |
| CHEBI has role | CHEBI:35476 | antipsychotic agent |
| CHEBI has role | CHEBI:35610 | antineoplastic agent |
| CHEBI has role | CHEBI:35718 | antifungal agent |
| CHEBI has role | CHEBI:35820 | antiprotozoal drug |
| CHEBI has role | CHEBI:37699 | protein kinase inhibitor |
| CHEBI has role | CHEBI:50846 | immunomodulator |
| CHEBI has role | CHEBI:67079 | anti-inflammatory agent |
| CHEBI has role | CHEBI:68495 | apoptosis inducer |
| CHEBI has role | CHEBI:70868 | antileishmanial agent |
| CHEBI has role | CHEBI:149553 | anticoronaviral agent |
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Visceral leishmaniasis | indication | 186803007 | DOID:9146 |
| Cutaneous leishmaniasis | indication | 240637006 | DOID:9111 |
| American mucocutaneous leishmaniasis | indication | 403135004 | |
| Sjogren-Larsson syndrome | contraindication | 111303009 | DOID:14501 |
| Pregnancy, function | contraindication | 289908002 |
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 1.29 | acidic |
None
None
| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| RAC-alpha serine/threonine-protein kinase | Kinase | IC50 | 5.02 | CHEMBL | |||||
| Dual specificity phosphatase Cdc25A | Enzyme | IC50 | 4.60 | CHEMBL |
| ID | Source |
|---|---|
| D02494 | KEGG_DRUG |
| 4035630 | VANDF |
| C0068006 | UMLSCUI |
| CHEBI:75283 | CHEBI |
| CHEMBL125 | ChEMBL_ID |
| DB09031 | DRUGBANK_ID |
| C039128 | MESH_SUPPLEMENTAL_RECORD_UI |
| 3599 | PUBCHEM_CID |
| 11355 | IUPHAR_LIGAND_ID |
| 6362 | INN_ID |
| 53EY29W7EC | UNII |
| 1494066 | RXNORM |
| 213400 | MMSL |
| 25615 | MMSL |
| d07564 | MMSL |
| 006585 | NDDF |
| 713642004 | SNOMEDCT_US |
| 713676008 | SNOMEDCT_US |
| Product | Category | Ingredients | NDC | Form | Quantity | Route | Marketing | Label |
|---|---|---|---|---|---|---|---|---|
| IMPAVIDO | HUMAN PRESCRIPTION DRUG LABEL | 1 | 69051-300 | CAPSULE | 50 mg | ORAL | NDA | 27 sections |