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| Stem definition | Drug id | CAS RN |
|---|---|---|
| spasmolytics with a papaverine-like action | 472 | 54-30-8 |
| Dose | Unit | Route |
|---|---|---|
| 0.20 | g | O |
| 0.20 | g | R |
None
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| kinase-safety-class | ACVR2A,ACVR2B,AKT2,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK4,CDK5,CDK9,DDR1,DYRK1B,EIF2AK3,EPHB4,ERBB2,FLT3,GRK2,ITK,JAK2,JAK3,MAP3K21,MAP3K7,MAPK12,MAPK7,MAPKAPK2,MET,NTRK2,PAK4,PDK2,PDK4,PDPK1,PIK3CB,PIM2,PRKDC,SIK2,SIK3,STK33,SYK,TEK,TGFBR1 | 41 | |||
| kinase-selectivity-class | AXL,EIF2AK3,GRK2,PDK4 | 4 | |||
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 |
None
None
None
None
None
| Source | Code | Description |
|---|---|---|
| ATC | A03AA03 | ALIMENTARY TRACT AND METABOLISM DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS Synthetic anticholinergics, esters with tertiary amino group |
| ATC | A03DA05 | ALIMENTARY TRACT AND METABOLISM DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS ANTISPASMODICS IN COMBINATION WITH ANALGESICS Synthetic anticholinergic agents in combination with analgesics |
| MeSH PA | D010276 | Parasympatholytics |
| MeSH PA | D018373 | Peripheral Nervous System Agents |
None
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 9.1 | Basic |
| pKa2 | 4.06 | Basic |
None
None
| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Solute carrier family 22 member 1 | Transporter | IC50 | 5.04 | CHEMBL |
| ID | Source |
|---|---|
| D01759 | KEGG_DRUG |
| 20136 | RXNORM |
| C0054568 | UMLSCUI |
| CHEBI:748821 | CHEBI |
| CHEMBL253592 | ChEMBL_ID |
| DB13738 | DRUGBANK_ID |
| 5902 | PUBCHEM_CID |
| C004644 | MESH_SUPPLEMENTAL_RECORD_UI |
| 1182 | INN_ID |
| 340B6Q764V | UNII |
| 414281000221107 | SNOMEDCT_US |
| 456191000221100 | SNOMEDCT_US |
| 5892-41-1 | SECONDARY_CAS_RN |
| 005296 | NDDF |
| 005297 | NDDF |
None