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| Stem definition | Drug id | CAS RN |
|---|---|---|
| 4676 | 7683-36-5 |
None
| Property | Value | Reference |
|---|---|---|
| Vd (Volume of distribution) | 0.17 L/kg | Lombardo F, Berellini G, Obach RS |
| CL (Clearance) | 1.90 mL/min/kg | Lombardo F, Berellini G, Obach RS |
| t_half (Half-life) | 1.20 hours | Lombardo F, Berellini G, Obach RS |
| BA (Bioavailability) | 0 % |
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| kinase-safety-class | ACVR2A,ACVR2B,ACVRL1,AKT2,AKT3,ALK,AURKA,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK4,CDK5,CDK9,DDR1,DYRK1B,EIF2AK3,EPHB4,ERBB2,FLT3,GRK2,GRK3,GSK3B,IGF1R,ITK,JAK1,JAK2,JAK3,KIT,MAP2K6,MAP3K14,MAP3K21,MAP3K7,MAPK10,MAPK12,MAPK7,MAPK8,MAPK9,MAPKAPK2,MAPKAPK5,MARK4,MTOR,NTRK2,PDK1,PDK2,PDK4,PDPK1,PIK3CA,PIK3CB,PIK3CD,PIK3CG,PIM2,PLK1,PRKCD,PRKDC,SIK2,SIK3,STK33,SYK,TEK,TGFBR1,TTK,ULK1,ZAP70 | 65 | |||
| kinase-selectivity-class | ACVR2B,AXL,BRAF,CDK4,CDK9,DDR1,DYRK1B,EIF2AK3,EPHB4,GRK2,MAP2K6,MAPK12,MAPK7,MAPK8,PRKDC,STK33,SYK,TEK,TGFBR1,TTK | 20 | |||
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 |
None
None
None
None
None
| Source | Code | Description |
|---|---|---|
| ATC | V03AB13 | VARIOUS ALL OTHER THERAPEUTIC PRODUCTS ALL OTHER THERAPEUTIC PRODUCTS Antidotes |
| MeSH PA | D002801 | Cholinesterase Reactivators |
| MeSH PA | D018377 | Neurotransmitter Agents |
| MeSH PA | D018678 | Cholinergic Agents |
| CHEBI has role | CHEBI:50241 | cholinesterase reactivator |
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Organophosphate poisoning | indication | 8260003 |
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 8.14 | acidic |
| pKa2 | 8.74 | acidic |
None
None
| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | Enzyme | Kd | 4.67 | CHEMBL |
| ID | Source |
|---|---|
| D05215 | KEGG_DRUG |
| OBI | PDB_CHEM_ID |
| CHEMBL451635 | ChEMBL_ID |
| CHEMBL291233 | ChEMBL_ID |
| 114-90-9 | SECONDARY_CAS_RN |
| DB13750 | DRUGBANK_ID |
| N6KNE1QA9O | UNII |
| 42826 | RXNORM |
| 006771 | NDDF |
| 006772 | NDDF |
| 1156231009 | SNOMEDCT_US |
| 1156241007 | SNOMEDCT_US |
| C0086728 | UMLSCUI |
| D009768 | MESH_DESCRIPTOR_UI |
| CHEBI:44691 | CHEBI |
| 135412781 | PUBCHEM_CID |
| 2138 | INN_ID |
None