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| Stem definition | Drug id | CAS RN |
|---|---|---|
| quaternary ammonium compounds | 146 | 7648-98-8 |
| Dose | Unit | Route |
|---|---|---|
| 60 | mg | O |
| Property | Value | Reference |
|---|---|---|
| S (Water solubility) | 60.84 mg/mL | Bocci G, Oprea TI, Benet LZ |
| BDDCS (Biopharmaceutical Drug Disposition Classification System) | 3 | Bocci G, Oprea TI, Benet LZ |
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| kinase-safety-class | ACVR2A,ACVR2B,AKT1,AKT2,AKT3,AURKA,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK4,CDK5,CDK9,DDR1,DYRK1B,EIF2AK3,EPHB4,ERBB2,FLT3,GRK2,ITK,JAK2,JAK3,MAP3K21,MAP3K7,MAPK10,MAPK12,MAPK7,MAPK9,MAPKAPK2,MET,MTOR,NTRK2,PAK4,PDK1,PDK2,PDK4,PDPK1,PIK3CB,PIM2,PRKCD,PRKDC,SIK2,SIK3,STK33,SYK,TEK,TGFBR1,TTK | 50 | |||
| kinase-selectivity-class | AXL,CDK4,EIF2AK3,EPHB4,GRK2,MAP2K6,PDK4,TEK | 8 | |||
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 |
| Date | Agency | Company | Orphan |
|---|---|---|---|
| May 1, 1956 | FDA | SANOFI AVENTIS US |
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| Source | Code | Description |
|---|---|---|
| ATC | N07AA30 | NERVOUS SYSTEM OTHER NERVOUS SYSTEM DRUGS PARASYMPATHOMIMETICS Anticholinesterases |
| FDA MoA | N0000000177 | Cholinesterase Inhibitors |
| CHEBI has role | CHEBI:37733 | EC 3.1.1.8 (cholinesterase) inhibitor |
| CHEBI has role | CHEBI:35942 | neurotransmitter agent |
| MeSH PA | D002800 | Cholinesterase Inhibitors |
| MeSH PA | D004791 | Enzyme Inhibitors |
| MeSH PA | D010277 | Parasympathomimetics |
| MeSH PA | D018377 | Neurotransmitter Agents |
| MeSH PA | D018678 | Cholinergic Agents |
| FDA EPC | N0000175723 | Cholinesterase Inhibitor |
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Myasthenia gravis | indication | 91637004 | DOID:437 |
| Urinary tract obstruction | contraindication | 7163005 | DOID:5200 |
| Parkinsonism | contraindication | 32798002 | |
| Gastrointestinal obstruction | contraindication | 126765001 | |
| Asthma | contraindication | 195967001 | DOID:2841 |
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 13.69 | acidic |
None
None
| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | Enzyme | INHIBITOR | CHEMBL | CHEMBL | |||||
| Acetylcholinesterase | Enzyme | Kd | 4.34 | CHEMBL | |||||
| Acetylcholinesterase | Enzyme | IC50 | 9.92 | CHEMBL |
| ID | Source |
|---|---|
| 4022236 | VUID |
| N0000020242 | NUI |
| D01001 | KEGG_DRUG |
| 468764 | RXNORM |
| C0002412 | UMLSCUI |
| CHEBI:2627 | CHEBI |
| CHEMBL1652 | ChEMBL_ID |
| CHEMBL1200541 | ChEMBL_ID |
| DB01122 | DRUGBANK_ID |
| 115-79-7 | SECONDARY_CAS_RN |
| L16PUN799N | UNII |
| 2131 | PUBCHEM_CID |
| 2011 | MMSL |
| 4162 | MMSL |
| d01420 | MMSL |
| D000549 | MESH_DESCRIPTOR_UI |
| 552 | INN_ID |
| 4018246 | VANDF |
| 4022236 | VANDF |
| 001706 | NDDF |
| 004686 | NDDF |
| 36537006 | SNOMEDCT_US |
| 387197009 | SNOMEDCT_US |
| 46887006 | SNOMEDCT_US |
| L16PUN799N | INXIGHT DRUGS |
None