Stem definition | Drug id | CAS RN |
---|---|---|
diazepam derivatives | 1202 | 1622-62-4 |
Dose | Unit | Route |
---|---|---|
1 | mg | O |
1 | mg | P |
Property | Value | Reference |
---|---|---|
BDDCS (Biopharmaceutical Drug Disposition Classification System) | 1 | Benet LZ, Broccatelli F, Oprea TI |
S (Water solubility) | 0.00 mg/mL | Benet LZ, Broccatelli F, Oprea TI |
EoM (Fraction excreted unchanged in urine) | 0.50 % | Benet LZ, Broccatelli F, Oprea TI |
MRTD (Maximum Recommended Therapeutic Daily Dose) | 0.11 µM/kg/day | Contrera JF, Matthews EJ, Kruhlak NL, Benz RD |
BA (Bioavailability) | 80 % | Kim MT, Sedykh A, Chakravarti SK, Saiakhov RD, Zhu H |
Vd (Volume of distribution) | 1.90 L/kg | Lombardo F, Berellini G, Obach RS |
CL (Clearance) | 1.40 mL/min/kg | Lombardo F, Berellini G, Obach RS |
fu (Fraction unbound in plasma) | 0.17 % | Lombardo F, Berellini G, Obach RS |
t_half (Half-life) | 25 hours | Lombardo F, Berellini G, Obach RS |
Date | Agency | Company | Orphan |
---|---|---|---|
Jan. 1, 1976 | YEAR INTRODUCED |
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 |
---|---|---|---|---|---|---|
Overdose | 171.40 | 118.67 | 41 | 179 | 19866 | 2337999 |
Intentional overdose | 154.30 | 118.67 | 34 | 186 | 11287 | 2346578 |
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 | 135.25 | 76.80 | 41 | 180 | 29100 | 1717460 |
Overdose | 105.39 | 76.80 | 30 | 191 | 16671 | 1729889 |
Rhabdomyolysis | 102.79 | 76.80 | 27 | 194 | 11063 | 1735497 |
Neuroleptic malignant syndrome | 100.71 | 76.80 | 21 | 200 | 3127 | 1743433 |
Source | Code | Description |
---|---|---|
ATC | N05CD03 | NERVOUS SYSTEM PSYCHOLEPTICS HYPNOTICS AND SEDATIVES Benzodiazepine derivatives |
CHEBI has role | CHEBI:35717 | sedative |
CHEBI has role | CHEBI:91016 | GABAA receptor agonist |
CHEBI has role | CHEBI:35474 | anxiolytic drug |
MeSH PA | D014151 | Anti-Anxiety Agents |
MeSH PA | D002491 | Central Nervous System Agents |
MeSH PA | D002492 | Central Nervous System Depressants |
MeSH PA | D018682 | GABA Agents |
MeSH PA | D018757 | GABA Modulators |
MeSH PA | D018377 | Neurotransmitter Agents |
MeSH PA | D011619 | Psychotropic Drugs |
MeSH PA | D014149 | Tranquilizing Agents |
None
Dissociation level | Dissociation constant | Type (acidic/basic) |
---|---|---|
pKa1 | 1.89 | Basic |
None
None
Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
---|---|---|---|---|---|---|---|---|---|
Gamma-aminobutyric acid receptor subunit alpha-3 | Ion channel | ALLOSTERIC MODULATOR | Ki | 7.80 | IUPHAR | IUPHAR | |||
Gamma-aminobutyric acid receptor subunit alpha-5 | Ion channel | ALLOSTERIC MODULATOR | Ki | 8.26 | IUPHAR | IUPHAR | |||
Gamma-aminobutyric acid receptor subunit alpha-1 | Ion channel | ALLOSTERIC MODULATOR | Ki | 8.28 | IUPHAR | IUPHAR | |||
Gamma-aminobutyric acid receptor subunit alpha-2 | Ion channel | ALLOSTERIC MODULATOR | Ki | 8.28 | IUPHAR | IUPHAR | |||
GABA-A receptor alpha-2/beta-3/gamma-2 | Ion channel | Ki | 8.70 | WOMBAT-PK | |||||
GABA A receptor alpha-3/beta-2/gamma-2 | Ion channel | Ki | 8.82 | WOMBAT-PK | |||||
GABA-A receptor alpha-3/beta-3/gamma-2 | Ion channel | Ki | 8.35 | WOMBAT-PK | |||||
GABA A receptor alpha-3/beta-2/gamma-3 | Ion channel | Ki | 7.50 | WOMBAT-PK | |||||
GABA A receptor alpha-5/beta-2/gamma-2 | Ion channel | Ki | 9 | WOMBAT-PK | |||||
GABA A receptor alpha-5/beta-2/gamma-3 | Ion channel | Ki | 8.42 | WOMBAT-PK | |||||
GABA A receptor alpha-5/beta-3/gamma-3 | Ion channel | Ki | 8.42 | WOMBAT-PK | |||||
GABA-A receptor alpha-1/beta-2/gamma-3 | Ion channel | Ki | 7.46 | WOMBAT-PK | |||||
GABA-A receptor alpha-1/beta-3/gamma-2 | Ion channel | Ki | 8.47 | WOMBAT-PK | |||||
GABA-A receptor alpha-5/beta-3/gamma-2 | Ion channel | Ki | 8.84 | WOMBAT-PK | |||||
GABA-A receptor alpha-1/beta-2/gamma-2 | Ion channel | Ki | 8.70 | WOMBAT-PK | |||||
GABA-A receptor; anion channel | Ion channel | IC50 | 8.82 | CHEMBL |
ID | Source |
---|---|
D005445 | MESH_DESCRIPTOR_UI |
N0000166924 | NUI |
C0016296 | UMLSCUI |
D01230 | KEGG_DRUG |
620X0222FQ | UNII |
2951 | INN_ID |
96237009 | SNOMEDCT_US |
4460 | RXNORM |
387573007 | SNOMEDCT_US |
004091 | NDDF |
CHEMBL13280 | ChEMBL_ID |
DB01544 | DRUGBANK_ID |
CHEBI:31622 | CHEBI |
3380 | PUBCHEM_CID |
4193 | IUPHAR_LIGAND_ID |
None