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| Stem definition | Drug id | CAS RN |
|---|---|---|
| atropine derivatives | 646 | 51598-60-8 |
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| Property | Value | Reference |
|---|---|---|
| BA (Bioavailability) | 2 % | Kim MT, Sedykh A, Chakravarti SK, Saiakhov RD, Zhu H |
| Vd (Volume of distribution) | 1.12 L/kg | Lombardo F, Berellini G, Obach RS |
| CL (Clearance) | 25 mL/min/kg | Lombardo F, Berellini G, Obach RS |
| t_half (Half-life) | 0.83 hours | Lombardo F, Berellini G, Obach RS |
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| kinase-safety-class | ACVR2B,AXL,BRAF,BTK,CAMK2D,CDK5,EIF2AK3,ERBB2,GRK2,ITK,NTRK2,PDK1,PDK2,PDK4,PRKDC,TEK,TGFBR1 | 17 | |||
| kinase-selectivity-class | CHUK,EIF2AK3,MAP2K6 | 3 | |||
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 |
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| Source | Code | Description |
|---|---|---|
| ATC | A03BB05 | ALIMENTARY TRACT AND METABOLISM DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS BELLADONNA AND DERIVATIVES, PLAIN Belladonna alkaloids, semisynthetic, quaternary ammonium compounds |
| MeSH PA | D010276 | Parasympatholytics |
| MeSH PA | D018373 | Peripheral Nervous System Agents |
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| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 13.24 | acidic |
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| ID | Source |
|---|---|
| D07099 | KEGG_DRUG |
| 150521-16-7 | SECONDARY_CAS_RN |
| CHEMBL2110773 | ChEMBL_ID |
| CHEMBL2105977 | ChEMBL_ID |
| C016859 | MESH_SUPPLEMENTAL_RECORD_UI |
| DB09271 | DRUGBANK_ID |
| 1N3H74AYTK | UNII |
| 010897 | NDDF |
| 010898 | NDDF |
| C0141757 | UMLSCUI |
| CHEBI:135516 | CHEBI |
| 20054871 | PUBCHEM_CID |
| 5478 | INN_ID |
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