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| Stem definition | Drug id | CAS RN |
|---|---|---|
| atropine derivatives | 223 | 80-50-2 |
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| Property | Value | Reference |
|---|---|---|
| BA (Bioavailability) | 17.50 % | Kim MT, Sedykh A, Chakravarti SK, Saiakhov RD, Zhu H |
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| kinase-safety-class | ACVR2B,AXL,BRAF,BTK,CAMK2D,CDK4,CDK5,CDK9,DYRK1B,EIF2AK3,EPHB4,ERBB2,GRK2,ITK,MAPK10,MAPK7,NTRK2,PDK1,PDK2,PDK4,PRKDC,TEK,TGFBR1,ZAP70 | 24 | |||
| kinase-selectivity-class | EIF2AK3,GRK2 | 2 | |||
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 |
| Date | Agency | Company | Orphan |
|---|---|---|---|
| Nov. 23, 1962 | FDA | ENDO PHARMS |
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| Source | Code | Description |
|---|---|---|
| CHEBI has role | CHEBI:48876 | muscarinic antagonist |
| CHEBI has role | CHEBI:49201 | anti-ulcer drug |
| CHEBI has role | CHEBI:50370 | parasympatholytic |
| MeSH PA | D018377 | Neurotransmitter Agents |
| MeSH PA | D018678 | Cholinergic Agents |
| MeSH PA | D018680 | Cholinergic Antagonists |
| MeSH PA | D018727 | Muscarinic Antagonists |
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Peptic ulcer | indication | 13200003 | DOID:750 |
| Gastric ulcer | indication | 397825006 | DOID:10808 |
| Irritable bowel syndrome | off-label use | 10743008 | DOID:9778 |
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| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M1 | GPCR | ANTAGONIST | DRUGBANK | CHEMBL | |||||
| Muscarinic acetylcholine receptor M3 | GPCR | ANTAGONIST | DRUGBANK | CHEMBL |
| ID | Source |
|---|---|
| 4018547 | VUID |
| N0000179041 | NUI |
| 17945 | RXNORM |
| C0051923 | UMLSCUI |
| CHEBI:2739 | CHEBI |
| CHEMBL1578 | ChEMBL_ID |
| 657201 | PUBCHEM_CID |
| DB00517 | DRUGBANK_ID |
| 913 | INN_ID |
| 4018547 | VANDF |
| C100237 | MESH_SUPPLEMENTAL_RECORD_UI |
| 62M960DHIL | UNII |
| 001748 | NDDF |
| 367554003 | SNOMEDCT_US |
| 62M960DHIL | INXIGHT DRUGS |
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