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| Stem definition | Drug id | CAS RN |
|---|---|---|
| atropine derivatives | 808 | 604-51-3 |
| Dose | Unit | Route |
|---|---|---|
| 2 | mg | O |
None
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| kinase-safety-class | ACVR2B,AKT1,AKT2,AKT3,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK4,CDK5,CDK9,EIF2AK3,EPHB4,ERBB2,GRK2,ITK,JAK2,JAK3,MAP3K7,MAPK10,MAPK7,MAPKAPK2,MET,NTRK2,PDK2,PDK4,PDPK1,PIM2,PRKDC,TEK,TGFBR1 | 32 | |||
| kinase-selectivity-class | AXL,EIF2AK3,PDK4 | 3 | |||
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 |
None
None
None
None
None
| Source | Code | Description |
|---|---|---|
| ATC | R06AX16 | RESPIRATORY SYSTEM ANTIHISTAMINES FOR SYSTEMIC USE ANTIHISTAMINES FOR SYSTEMIC USE Other antihistamines for systemic use |
| MeSH PA | D006633 | Histamine Antagonists |
| MeSH PA | D006634 | Histamine H1 Antagonists |
| MeSH PA | D018377 | Neurotransmitter Agents |
| MeSH PA | D018494 | Histamine Agents |
| CHEBI has role | CHEBI:37955 | H<small><sub>1</sub></small>-receptor antagonist |
| CHEBI has role | CHEBI:48876 | muscarinic antagonist |
| CHEBI has role | CHEBI:50370 | parasympatholytic |
None
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 9.86 | Basic |
None
None
| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Acetylcholine-binding protein | Secreted | Ki | 5.70 | CHEMBL | |||||
| Soluble acetylcholine receptor | Secreted | Ki | 5.20 | CHEMBL |
| ID | Source |
|---|---|
| D07404 | KEGG_DRUG |
| C0057763 | UMLSCUI |
| CHEBI:50189 | CHEBI |
| CHEMBL1946186 | ChEMBL_ID |
| DB13466 | DRUGBANK_ID |
| 203911 | PUBCHEM_CID |
| C100220 | MESH_SUPPLEMENTAL_RECORD_UI |
| 1331 | INN_ID |
| 2169-75-7 | SECONDARY_CAS_RN |
| AY31301GKG | UNII |
| CHEMBL2107603 | ChEMBL_ID |
| AY31301GKG | INXIGHT DRUGS |
None