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| Stem definition | Drug id | CAS RN |
|---|---|---|
| quaternary ammonium compounds | 988 | 312-48-1 |
None
| Property | Value | Reference |
|---|---|---|
| BA (Bioavailability) | 0 % | Kim MT, Sedykh A, Chakravarti SK, Saiakhov RD, Zhu H |
| Vd (Volume of distribution) | 1.10 L/kg | Lombardo F, Berellini G, Obach RS |
| CL (Clearance) | 9.60 mL/min/kg | Lombardo F, Berellini G, Obach RS |
| t_half (Half-life) | 1.80 hours | Lombardo F, Berellini G, Obach RS |
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| kinase-safety-class | ACVR2A,ACVR2B,AKT2,AKT3,ALK,AURKA,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK4,CDK5,CDK9,DDR1,DYRK1B,EIF2AK3,EPHB4,ERBB2,FLT3,GRK2,GSK3B,ITK,JAK1,JAK2,JAK3,MAP2K6,MAP3K21,MAP3K7,MAP4K1,MAPK10,MAPK7,MAPK9,MAPKAPK2,MET,MTOR,NTRK2,PDK1,PDK2,PDK4,PDPK1,PIK3CB,PIK3CG,PIM2,PRKCD,PRKDC,SIK2,SIK3,STK33,SYK,TEK,TGFBR1,TTK,ULK1,ZAP70 | 55 | |||
| kinase-selectivity-class | ACVR2B,AXL,BRAF,CDK4,DDR1,EPHB4,GRK2,MAPK7,PDK4,SIK2,STK33,TEK | 12 | |||
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 |
| Date | Agency | Company | Orphan |
|---|---|---|---|
| May 3, 1951 | FDA |
None
None
None
None
| Source | Code | Description |
|---|---|---|
| ATC | V04CX07 | VARIOUS DIAGNOSTIC AGENTS OTHER DIAGNOSTIC AGENTS Other diagnostic agents |
| FDA MoA | N0000000177 | Cholinesterase Inhibitors |
| MeSH PA | D000931 | Antidotes |
| MeSH PA | D002800 | Cholinesterase Inhibitors |
| MeSH PA | D004791 | Enzyme Inhibitors |
| MeSH PA | D018377 | Neurotransmitter Agents |
| MeSH PA | D018678 | Cholinergic Agents |
| MeSH PA | D020011 | Protective Agents |
| CHEBI has role | CHEBI:33295 | diagnostic agent |
| CHEBI has role | CHEBI:37733 | EC 3.1.1.8 (cholinesterase) inhibitor |
| CHEBI has role | CHEBI:50247 | antidote |
| FDA EPC | N0000175723 | Cholinesterase Inhibitor |
| CHEBI has role | CHEBI:50514 | vasoconstrictor agent |
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Reversal of neuromuscular blockade | indication | 241703000 | |
| Curare Overdose | indication | ||
| Neuromuscular Block due to Nondepolarizing Drug | indication | ||
| Diagnostic Test for Myasthenia Gravis | indication | ||
| Brain damage | contraindication | 2470005 | |
| Tachyarrhythmia | contraindication | 6285003 | |
| Urinary tract obstruction | contraindication | 7163005 | DOID:5200 |
| Severe chronic ulcerative colitis | contraindication | 14311001 | |
| Toxic megacolon | contraindication | 28536002 | DOID:1770 |
| Atony of colon | contraindication | 29479008 | |
| Hyperthyroidism | contraindication | 34486009 | DOID:7998 |
| Hypertensive disorder | contraindication | 38341003 | DOID:10763 |
| Complete trisomy 21 syndrome | contraindication | 41040004 | DOID:14250 |
| Conduction disorder of the heart | contraindication | 44808001 | |
| Achalasia of esophagus | contraindication | 45564002 | DOID:9164 |
| Chronic heart failure | contraindication | 48447003 | |
| Paralytic ileus | contraindication | 55525008 | DOID:8442 |
| Peptic reflux disease | contraindication | 57643001 | |
| Ulcerative colitis | contraindication | 64766004 | DOID:8577 |
| Drug AND/OR toxin-induced diarrhea | contraindication | 65979008 | |
| Spastic paralysis | contraindication | 78403003 | |
| Disturbance of salivary secretion | contraindication | 78948009 | |
| Hiatal hernia | contraindication | 84089009 | DOID:12642 |
| Kidney disease | contraindication | 90708001 | DOID:557 |
| Myasthenia gravis | contraindication | 91637004 | DOID:437 |
| Gastrointestinal obstruction | contraindication | 126765001 | |
| Autonomic dysreflexia | contraindication | 129618003 | |
| Bleeding | contraindication | 131148009 | |
| Asthma | contraindication | 195967001 | DOID:2841 |
| Myocardial dysfunction | contraindication | 233928007 | |
| Disease of liver | contraindication | 235856003 | DOID:409 |
| Bladder outflow obstruction | contraindication | 236645006 | |
| Pyloric obstruction | contraindication | 244815007 | |
| Benign prostatic hyperplasia | contraindication | 266569009 | |
| Retention of urine | contraindication | 267064002 | |
| Drowsy | contraindication | 271782001 | |
| Angle-closure glaucoma | contraindication | 392291006 | DOID:13550 |
| Gastric ulcer | contraindication | 397825006 | DOID:10808 |
| Chronic lung disease | contraindication | 413839001 | |
| Disorder of coronary artery | contraindication | 414024009 |
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 7.87 | acidic |
None
None
| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | Enzyme | INHIBITOR | Ki | 8.79 | CHEMBL | CHEMBL | |||
| Acetylcholinesterase | Enzyme | Ki | 6.70 | CHEMBL |
| ID | Source |
|---|---|
| 4019741 | VUID |
| N0000147833 | NUI |
| D00994 | KEGG_DRUG |
| 116-38-1 | SECONDARY_CAS_RN |
| 4017810 | VANDF |
| 4019741 | VANDF |
| C0013615 | UMLSCUI |
| CHEBI:251408 | CHEBI |
| CHEMBL1104 | ChEMBL_ID |
| DB01010 | DRUGBANK_ID |
| CHEMBL1128 | ChEMBL_ID |
| D004491 | MESH_DESCRIPTOR_UI |
| 3202 | PUBCHEM_CID |
| 9073 | IUPHAR_LIGAND_ID |
| 70FP3JLY7N | UNII |
| 3752 | RXNORM |
| 41678 | MMSL |
| 4653 | MMSL |
| d00220 | MMSL |
| 001708 | NDDF |
| 004688 | NDDF |
| 11504003 | SNOMEDCT_US |
| 373342004 | SNOMEDCT_US |
| 46913003 | SNOMEDCT_US |
| EDR | PDB_CHEM_ID |
| 187 | INN_ID |
| 70FP3JLY7N | INXIGHT DRUGS |
None