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| Stem definition | Drug id | CAS RN |
|---|---|---|
| 1683 | 58-27-5 |
| Dose | Unit | Route |
|---|---|---|
| 10 | mg | O |
| 2 | mg | P |
None
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| kinase-safety-class | ACVR2A,ACVR2B,ACVRL1,AKT2,AKT3,ALK,AURKA,AURKB,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK1,CDK4,CDK5,CDK9,CHEK1,CSF1R,DDR1,DYRK1B,EIF2AK3,EPHB4,ERBB2,FLT3,GRK2,GRK3,GSK3B,IKBKB,ITK,JAK1,JAK2,KIT,MAP2K6,MAP3K1,MAP3K14,MAP3K21,MAP3K7,MAP4K1,MAP4K3,MAPK1,MAPK10,MAPK12,MAPK7,MAPK9,MAPKAPK2,MARK4,MELK,MET,MTOR,NTRK2,PAK4,PDK1,PDK2,PDK4,PDPK1,PIK3CB,PIK3CD,PIM1,PIM2,PLK1,PLK2,PLK3,PLK4,PRKCD,PRKDC,SGK1,SIK2,SIK3,STK33,SYK,TEK,TTK,ULK1,ULK2 | 75 | |||
| kinase-selectivity-class | ACVR2A,ACVR2B,AURKB,AXL,BRAF,CAMK2D,CDK4,CDK9,DDR1,DYRK1B,EIF2AK3,EPHB4,ERBB2,GRK2,GSK3A,MAP2K3,MAP2K6,MAP3K14,MAPK1,MAPK12,MAPK7,MARK4,MET,PIK3CB,PIK3CD,PRKDC,SIK2,STK33,TEK,TTK,ULK1 | 31 | |||
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 | |||
| pld-class | Phospholipidosis risk class (1 = positive, 0 = negative) | 0 | High | 1 |
| Date | Agency | Company | Orphan |
|---|---|---|---|
| None | FDA | LILLY |
None
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 |
|---|---|---|---|---|---|---|
| Infective pulmonary exacerbation of cystic fibrosis | 56.43 | 40.98 | 12 | 295 | 14759 | 110574233 |
| Rubber sensitivity | 48.78 | 40.98 | 8 | 299 | 2410 | 110586582 |
| Pulmonary function test decreased | 44.44 | 40.98 | 9 | 298 | 8691 | 110580301 |
| Rhonchi | 43.78 | 40.98 | 8 | 299 | 4510 | 110584482 |
| Product administered at inappropriate site | 42.37 | 40.98 | 8 | 299 | 5385 | 110583607 |
None
| Source | Code | Description |
|---|---|---|
| ATC | B02BA02 | BLOOD AND BLOOD FORMING ORGANS ANTIHEMORRHAGICS VITAMIN K AND OTHER HEMOSTATICS Vitamin K |
| CHEBI has role | CHEBI:76971 | <em>Escherichia coli</em> metabolite |
| CHEBI has role | CHEBI:35610 | antineoplastic agent |
| CHEBI has role | CHEBI:48422 | angiogenesis inhibitor |
| CHEBI has role | CHEBI:50733 | nutraceutical |
| CHEBI has role | CHEBI:84087 | human urinary metabolite |
| CHEBI has role | CHEBI:147285 | EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor |
None
None
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| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Aldehyde oxidase | Enzyme | IC50 | 4 | CHEMBL | |||||
| Glutathione reductase, mitochondrial | Enzyme | Ki | 4.92 | CHEMBL | |||||
| Amine oxidase [flavin-containing] B | Enzyme | Ki | 6.40 | CHEMBL | |||||
| Amine oxidase [flavin-containing] A | Enzyme | Ki | 4.59 | CHEMBL | |||||
| Indoleamine 2,3-dioxygenase 1 | Enzyme | IC50 | 6 | CHEMBL | |||||
| M-phase inducer phosphatase 2 | Enzyme | IC50 | 5.66 | CHEMBL | |||||
| Dual specificity phosphatase Cdc25C | Enzyme | IC50 | 4.73 | CHEMBL | |||||
| Ubiquitin carboxyl-terminal hydrolase isozyme L3 | Enzyme | IC50 | 4.15 | CHEMBL | |||||
| Dual specificity phosphatase Cdc25A | Enzyme | IC50 | 5.16 | CHEMBL | |||||
| Alpha-synuclein | Transporter | IC50 | 4.82 | CHEMBL | |||||
| Trypanothione reductase | Enzyme | IC50 | 4.26 | CHEMBL | |||||
| Dual specificity protein phosphatase 6 | Enzyme | IC50 | 4.69 | CHEMBL | |||||
| Dual specificity protein phosphatase 1 | Enzyme | IC50 | 4.62 | CHEMBL | |||||
| Replicase polyprotein 1ab | Enzyme | IC50 | 5.43 | CHEMBL |
| ID | Source |
|---|---|
| 4019127 | VUID |
| N0000147378 | NUI |
| D02335 | KEGG_DRUG |
| 1182-68-9 | SECONDARY_CAS_RN |
| 4019127 | VANDF |
| C0025270 | UMLSCUI |
| CHEBI:28869 | CHEBI |
| VK3 | PDB_CHEM_ID |
| CHEMBL590 | ChEMBL_ID |
| DB00170 | DRUGBANK_ID |
| CHEMBL4297659 | ChEMBL_ID |
| 4055 | PUBCHEM_CID |
| 723JX6CXY5 | UNII |
| DB15381 | DRUGBANK_ID |
| 42781 | RXNORM |
| 337527 | MMSL |
| 35482 | MMSL |
| NOCODE | MMSL |
| d09345 | MMSL |
| 001039 | NDDF |
| 012756 | NDDF |
| 22606007 | SNOMEDCT_US |
| 412244007 | SNOMEDCT_US |
| 69576000 | SNOMEDCT_US |
None