Stem definition | Drug id | CAS RN |
---|---|---|
diazepam derivatives | 800 | 2894-67-9 |
None
Property | Value | Reference |
---|---|---|
MRTD (Maximum Recommended Therapeutic Daily Dose) | 0.28 ยตM/kg/day | Contrera JF, Matthews EJ, Kruhlak NL, Benz RD |
Vd (Volume of distribution) | 2.20 L/kg | Lombardo F, Berellini G, Obach RS |
CL (Clearance) | 0.17 mL/min/kg | Lombardo F, Berellini G, Obach RS |
fu (Fraction unbound in plasma) | 0.05 % | Lombardo F, Berellini G, Obach RS |
t_half (Half-life) | 200 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 |
---|---|---|---|---|---|---|
Drug abuse | 1550.99 | 56.39 | 417 | 3078 | 72101 | 63413426 |
Sopor | 1433.22 | 56.39 | 312 | 3183 | 21852 | 63463675 |
Intentional self-injury | 807.57 | 56.39 | 202 | 3293 | 25485 | 63460042 |
Intentional overdose | 199.80 | 56.39 | 92 | 3403 | 74060 | 63411467 |
Suicide attempt | 168.44 | 56.39 | 77 | 3418 | 60841 | 63424686 |
Bradyphrenia | 151.09 | 56.39 | 41 | 3454 | 6939 | 63478588 |
Poisoning | 131.87 | 56.39 | 43 | 3452 | 13657 | 63471870 |
Toxicity to various agents | 106.13 | 56.39 | 96 | 3399 | 247154 | 63238373 |
Intentional product misuse | 91.49 | 56.39 | 51 | 3444 | 60866 | 63424661 |
Substance abuse | 89.06 | 56.39 | 25 | 3470 | 4782 | 63480745 |
Coma | 75.73 | 56.39 | 46 | 3449 | 64318 | 63421209 |
Overdose | 74.93 | 56.39 | 57 | 3438 | 115021 | 63370506 |
Bradykinesia | 65.32 | 56.39 | 20 | 3475 | 5168 | 63480359 |
Confusional state | 62.97 | 56.39 | 71 | 3424 | 236309 | 63249218 |
Tachycardia | 62.90 | 56.39 | 52 | 3443 | 118104 | 63367423 |
Psychomotor hyperactivity | 58.38 | 56.39 | 22 | 3473 | 10641 | 63474886 |
Sluggishness | 56.64 | 56.39 | 18 | 3477 | 5251 | 63480276 |
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 |
---|---|---|---|---|---|---|
Sopor | 901.45 | 58.64 | 191 | 1716 | 11945 | 34943079 |
Drug abuse | 457.47 | 58.64 | 178 | 1729 | 98918 | 34856106 |
Intentional self-injury | 300.58 | 58.64 | 81 | 1826 | 13690 | 34941334 |
Bradyphrenia | 103.30 | 58.64 | 28 | 1879 | 4770 | 34950254 |
Toxicity to various agents | 91.44 | 58.64 | 80 | 1827 | 200282 | 34754742 |
Respiratory depression | 80.32 | 58.64 | 31 | 1876 | 16214 | 34938810 |
Bradykinesia | 66.69 | 58.64 | 19 | 1888 | 3874 | 34951150 |
Drug interaction | 66.56 | 58.64 | 71 | 1836 | 225875 | 34729149 |
Intentional overdose | 61.72 | 58.64 | 35 | 1872 | 43639 | 34911385 |
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 |
---|---|---|---|---|---|---|
Sopor | 2221.48 | 54.89 | 498 | 4887 | 32512 | 79706491 |
Drug abuse | 1750.51 | 54.89 | 577 | 4808 | 162114 | 79576889 |
Intentional self-injury | 1092.74 | 54.89 | 281 | 5104 | 32138 | 79706865 |
Bradyphrenia | 242.55 | 54.89 | 68 | 5317 | 10572 | 79728431 |
Intentional overdose | 229.55 | 54.89 | 121 | 5264 | 105839 | 79633164 |
Suicide attempt | 191.77 | 54.89 | 99 | 5286 | 82833 | 79656170 |
Toxicity to various agents | 173.30 | 54.89 | 175 | 5210 | 421365 | 79317638 |
Bradykinesia | 115.64 | 54.89 | 36 | 5349 | 8007 | 79730996 |
Psychomotor hyperactivity | 103.67 | 54.89 | 40 | 5345 | 16809 | 79722194 |
Intentional product misuse | 101.58 | 54.89 | 69 | 5316 | 95096 | 79643907 |
Overdose | 95.18 | 54.89 | 87 | 5298 | 184119 | 79554884 |
Poisoning | 94.39 | 54.89 | 42 | 5343 | 25230 | 79713773 |
Substance abuse | 83.07 | 54.89 | 30 | 5355 | 10496 | 79728507 |
Confusional state | 82.18 | 54.89 | 104 | 5281 | 317893 | 79421110 |
Coma | 82.15 | 54.89 | 62 | 5323 | 100587 | 79638416 |
Sedation | 81.31 | 54.89 | 48 | 5337 | 51847 | 79687156 |
Sluggishness | 76.28 | 54.89 | 25 | 5360 | 6547 | 79732456 |
Drug interaction | 71.82 | 54.89 | 112 | 5273 | 415071 | 79323932 |
Confabulation | 64.49 | 54.89 | 13 | 5372 | 485 | 79738518 |
Somnolence | 61.39 | 54.89 | 78 | 5307 | 238903 | 79500100 |
Respiratory depression | 58.06 | 54.89 | 31 | 5354 | 27599 | 79711404 |
Tachycardia | 57.06 | 54.89 | 65 | 5320 | 177703 | 79561300 |
None
Source | Code | Description |
---|---|---|
MeSH PA | D000927 | Anticonvulsants |
MeSH PA | D002491 | Central Nervous System Agents |
CHEBI has role | CHEBI:35474 | anti-anxiety agents |
CHEBI has role | CHEBI:35623 | anticonvulsants |
CHEBI has role | CHEBI:35717 | hypnotics |
CHEBI has role | CHEBI:50268 | GABA modulators |
CHEBI has role | CHEBI:77746 | Homo sapiens metabolite |
None
None
None
Dissociation level | Dissociation constant | Type (acidic/basic) |
---|---|---|
pKa1 | 11.52 | acidic |
pKa2 | 2.23 | Basic |
None
None
Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
---|---|---|---|---|---|---|---|---|---|
GABA-A receptor alpha-1/beta-2/gamma-2 | Ion channel | IC50 | 8.75 | WOMBAT-PK | |||||
GABA-A receptor; anion channel | Ion channel | IC50 | 8.55 | CHEMBL |
ID | Source |
---|---|
D07784 | KEGG_DRUG |
C0055353 | UMLSCUI |
CHEBI:135295 | CHEBI |
CHEMBL268254 | ChEMBL_ID |
DB01511 | DRUGBANK_ID |
17925 | PUBCHEM_CID |
C013434 | MESH_SUPPLEMENTAL_RECORD_UI |
4510 | INN_ID |
O91W32476G | UNII |
None