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 |
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 |
---|---|---|---|---|---|---|
Toxicity to various agents | 125.40 | 110.52 | 45 | 231 | 219553 | 53129237 |
Completed suicide | 124.64 | 110.52 | 40 | 236 | 138161 | 53210629 |
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 | 207.12 | 98.27 | 65 | 374 | 80178 | 32432909 |
Toxicity to various agents | 132.74 | 98.27 | 58 | 381 | 177983 | 32335104 |
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 | psychopharmaceuticals |
CHEBI has role | CHEBI:38867 | Anaesthetika |
CHEBI has role | CHEBI:50910 | agente neurotoxico |
CHEBI has role | CHEBI:60643 | N-methyl-D-aspartate receptor antagonists |
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 |
1058 | INN_ID |
4282 | IUPHAR_LIGAND_ID |
J1DOI7UV76 | UNII |
d03880 | MMSL |
9721008 | SNOMEDCT_US |
None