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| Stem definition | Drug id | CAS RN |
|---|---|---|
| quaternary ammonium compounds | 1371 | 6004-98-4 |
| Dose | Unit | Route |
|---|---|---|
| 0.15 | g | O |
None
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| kinase-safety-class | ACVR2A,ACVR2B,AKT1,AKT2,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK4,CDK5,CDK9,EIF2AK3,EPHB4,ERBB2,GRK2,ITK,JAK2,JAK3,MAP3K7,MAPK7,MAPKAPK2,MET,NTRK2,PDK2,PDK4,PIM2,PRKDC,SIK2,TEK,TGFBR1 | 31 | |||
| kinase-selectivity-class | AXL,PDK4 | 2 | |||
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 |
| Date | Agency | Company | Orphan |
|---|---|---|---|
| None | FDA | ABBVIE |
None
None
None
None
| Source | Code | Description |
|---|---|---|
| ATC | A03AB10 | ALIMENTARY TRACT AND METABOLISM DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS Synthetic anticholinergics, quaternary ammonium compounds |
None
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 5.27 | Basic |
None
None
| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M1 | GPCR | ANTAGONIST | UNKNOWN | CHEMBL | |||||
| Muscarinic acetylcholine receptor M3 | GPCR | ANTAGONIST | Ki | 8.90 | IUPHAR | CHEMBL | |||
| Muscarinic acetylcholine receptor M2 | GPCR | ANTAGONIST | Ki | 7.60 | IUPHAR | ||||
| Muscarinic acetylcholine receptor M4 | GPCR | ANTAGONIST | Ki | 8.30 | IUPHAR | ||||
| Muscarinic acetylcholine receptor M5 | GPCR | ANTAGONIST | Ki | 8.40 | IUPHAR | ||||
| Muscarinic acetylcholine receptor M1 | GPCR | ANTAGONIST | Ki | 8.60 | IUPHAR |
| ID | Source |
|---|---|
| D01003 | KEGG_DRUG |
| 115-63-9 | SECONDARY_CAS_RN |
| 4018731 | VANDF |
| C0062674 | UMLSCUI |
| CHEBI:5707 | CHEBI |
| CHEMBL1201325 | ChEMBL_ID |
| CHEMBL1626570 | ChEMBL_ID |
| DB06787 | DRUGBANK_ID |
| C015922 | MESH_SUPPLEMENTAL_RECORD_UI |
| 24199 | PUBCHEM_CID |
| 323 | IUPHAR_LIGAND_ID |
| LL3147PI1T | UNII |
| 235430 | RXNORM |
| 001738 | NDDF |
| 004695 | NDDF |
| 108660001 | SNOMEDCT_US |
| 373763000 | SNOMEDCT_US |
| 49688004 | SNOMEDCT_US |
| 672 | INN_ID |
| LL3147PI1T | INXIGHT DRUGS |
None