| Stem definition | Drug id | CAS RN |
|---|---|---|
| muscarinic receptors agonists/antagonists | 2121 | 77-10-1 |
None
| Property | Value | Reference |
|---|---|---|
| BDDCS (Biopharmaceutical Drug Disposition Classification System) | 1 | Hosey CM, Chan R, Benet LZ |
| BA (Bioavailability) | 72 % | Kim MT, Sedykh A, Chakravarti SK, Saiakhov RD, Zhu H |
| Vd (Volume of distribution) | 6.90 L/kg | Lombardo F, Berellini G, Obach RS |
| CL (Clearance) | 5.10 mL/min/kg | Lombardo F, Berellini G, Obach RS |
| fu (Fraction unbound in plasma) | 0.35 % | Lombardo F, Berellini G, Obach RS |
| t_half (Half-life) | 16 hours | Lombardo F, Berellini G, Obach RS |
| S (Water solubility) | 11.20 mg/mL | Bocci G, Oprea TI, Benet LZ |
None
None
| MedDRA adverse event term | Likelihood ratio | Likelihood ratio threshold | Patients taking drug having adverse event | Patients taking drug not having adverse event | Patients not taking drug having adverse event | Patients not taking drug not having adverse event |
|---|---|---|---|---|---|---|
| Drug abuse | 152.29 | 106.82 | 50 | 289 | 99046 | 34857546 |
| Toxicity to various agents | 121.35 | 106.82 | 51 | 288 | 200311 | 34756281 |
| MedDRA adverse event term | Likelihood ratio | Likelihood ratio threshold | Patients taking drug having adverse event | Patients taking drug not having adverse event | Patients not taking drug having adverse event | Patients not taking drug not having adverse event |
|---|---|---|---|---|---|---|
| Drug abuse | 237.77 | 129.13 | 70 | 393 | 162621 | 79581304 |
| Toxicity to various agents | 193.77 | 129.13 | 76 | 387 | 421464 | 79322461 |
None
| Source | Code | Description |
|---|---|---|
| MeSH PA | D002491 | Central Nervous System Agents |
| MeSH PA | D004791 | Enzyme Inhibitors |
| MeSH PA | D018691 | Excitatory Amino Acid Antagonists |
| MeSH PA | D006213 | Hallucinogens |
| MeSH PA | D018377 | Neurotransmitter Agents |
| MeSH PA | D011619 | Psychotropic Drugs |
| CHEBI has role | CHEBI:35471 | psychotropic drugs |
| CHEBI has role | CHEBI:38867 | anaesthetic |
| CHEBI has role | CHEBI:50910 | agente neurotoxico |
| CHEBI has role | CHEBI:60643 | N-methyl-D-aspartate receptor antagonists |
None
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 9.1 | Basic |
None
None
| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | Membrane receptor | Ki | 5.96 | CHEMBL | |||||
| Lysosomal Pro-X carboxypeptidase | Enzyme | IC50 | 7.04 | CHEMBL | |||||
| Glutamate [NMDA] receptor | Ion channel | Ki | 7.82 | CHEMBL | |||||
| Glutamate NMDA receptor; GRIN1/GRIN2B | Ion channel | IC50 | 5.90 | CHEMBL | |||||
| Glutamate NMDA receptor; GRIN1/GRIN2A | Ion channel | IC50 | 6.40 | CHEMBL | |||||
| Glutamate receptor ionotropic, NMDA 1 | Ion channel | Ki | 7.28 | CHEMBL | |||||
| Sigma non-opioid intracellular receptor 1 | Membrane receptor | IC50 | 6.28 | CHEMBL | |||||
| Glutamate receptor ionotropic, NMDA 2C | Ion channel | Ki | 7.22 | CHEMBL | |||||
| Cholinesterase | Enzyme | Ki | 6.28 | CHEMBL | |||||
| Acetylcholine receptor subunit alpha | Ion channel | IC50 | 6.66 | CHEMBL | |||||
| Glutamate NMDA receptor | Ion channel | Ki | 7.42 | CHEMBL | |||||
| Muscarinic acetylcholine receptor | GPCR | Kd | 5.04 | CHEMBL |
| ID | Source |
|---|---|
| D05453 | KEGG_DRUG |
| 956-90-1 | SECONDARY_CAS_RN |
| 4027426 | VANDF |
| C0031381 | UMLSCUI |
| CHEBI:8058 | CHEBI |
| 1PC | PDB_CHEM_ID |
| CHEMBL275528 | ChEMBL_ID |
| DB03575 | DRUGBANK_ID |
| CHEMBL542581 | ChEMBL_ID |
| D010622 | MESH_DESCRIPTOR_UI |
| 6468 | PUBCHEM_CID |
| 4282 | IUPHAR_LIGAND_ID |
| 1058 | INN_ID |
| J1DOI7UV76 | UNII |
| d03880 | MMSL |
| 9721008 | SNOMEDCT_US |
None