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| Stem definition | Drug id | CAS RN |
|---|---|---|
| diazepam derivatives | 1056 | 29975-16-4 |
| Dose | Unit | Route |
|---|---|---|
| 3 | mg | O |
| Property | Value | Reference |
|---|---|---|
| BDDCS (Biopharmaceutical Drug Disposition Classification System) | 2 | 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) | 4 % | Benet LZ, Broccatelli F, Oprea TI |
| MRTD (Maximum Recommended Therapeutic Daily Dose) | 0.10 ยตM/kg/day | Contrera JF, Matthews EJ, Kruhlak NL, Benz RD |
| BA (Bioavailability) | 93 % | Kim MT, Sedykh A, Chakravarti SK, Saiakhov RD, Zhu H |
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| kinase-safety-class | ACVR2B,AXL,BRAF,CAMK2D,CDK5,CDK9,DYRK1B,EIF2AK3,ERBB2,GRK2,ITK,MAPK10,MAPK7,MAPKAPK2,PDK4,PIK3CB,PIK3CG,PRKDC,STK33,TTK | 20 | |||
| kinase-selectivity-class | GRK2 | 1 | |||
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 |
| Date | Agency | Company | Orphan |
|---|---|---|---|
| Dec. 26, 1990 | FDA | ABBOTT |
| 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 |
|---|---|---|---|---|---|---|
| Serotonin syndrome | 118.06 | 22.80 | 46 | 3177 | 37841 | 90587383 |
| Drug interaction | 89.95 | 22.80 | 76 | 3147 | 276377 | 90348847 |
| Suicide attempt | 76.48 | 22.80 | 42 | 3181 | 75357 | 90549867 |
| Intentional overdose | 65.41 | 22.80 | 41 | 3182 | 93793 | 90531431 |
| Disease risk factor | 53.63 | 22.80 | 9 | 3214 | 232 | 90624992 |
| Bradycardia | 49.45 | 22.80 | 33 | 3190 | 83814 | 90541410 |
| Electrocardiogram QT prolonged | 48.81 | 22.80 | 31 | 3192 | 72425 | 90552799 |
| Sopor | 46.65 | 22.80 | 21 | 3202 | 24623 | 90600601 |
| Ventricular arrhythmia | 44.87 | 22.80 | 13 | 3210 | 4308 | 90620916 |
| Drug-disease interaction | 41.31 | 22.80 | 9 | 3214 | 941 | 90624283 |
| Drug dependence | 37.24 | 22.80 | 19 | 3204 | 29308 | 90595916 |
| Somnolence | 36.61 | 22.80 | 41 | 3182 | 209043 | 90416181 |
| Disseminated intravascular coagulation | 36.50 | 22.80 | 17 | 3206 | 21521 | 90603703 |
| Arrhythmia | 35.91 | 22.80 | 21 | 3202 | 42311 | 90582913 |
| Toxicity to various agents | 33.56 | 22.80 | 46 | 3177 | 287800 | 90337424 |
| Procedural hypotension | 31.63 | 22.80 | 8 | 3215 | 1592 | 90623632 |
| Electrocardiogram QRS complex prolonged | 30.42 | 22.80 | 11 | 3212 | 7337 | 90617887 |
| Drug abuse | 29.48 | 22.80 | 24 | 3199 | 82323 | 90542901 |
| Cardiac failure | 27.34 | 22.80 | 26 | 3197 | 109470 | 90515754 |
| Overdose | 26.01 | 22.80 | 30 | 3193 | 157679 | 90467545 |
| Depressed level of consciousness | 25.60 | 22.80 | 21 | 3202 | 72763 | 90552461 |
| Poverty of speech | 25.32 | 22.80 | 5 | 3218 | 323 | 90624901 |
| Rhabdomyolysis | 25.08 | 22.80 | 18 | 3205 | 51238 | 90573986 |
| Altered state of consciousness | 25.05 | 22.80 | 15 | 3208 | 31517 | 90593707 |
| Coma | 23.57 | 22.80 | 20 | 3203 | 72612 | 90552612 |
| Delusion of reference | 22.94 | 22.80 | 4 | 3219 | 130 | 90625094 |
| Circulatory collapse | 22.83 | 22.80 | 13 | 3210 | 24891 | 90600333 |
| 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 |
|---|---|---|---|---|---|---|
| Inappropriate antidiuretic hormone secretion | 51.94 | 23.18 | 22 | 2028 | 16519 | 42602766 |
| Altered state of consciousness | 42.78 | 23.18 | 23 | 2027 | 29236 | 42590049 |
| Delirium | 32.67 | 23.18 | 24 | 2026 | 52495 | 42566790 |
| Hyperammonaemia | 26.47 | 23.18 | 11 | 2039 | 7855 | 42611430 |
| Drug interaction | 25.81 | 23.18 | 46 | 2004 | 266953 | 42352332 |
| Paraneoplastic syndrome | 24.30 | 23.18 | 6 | 2044 | 800 | 42618485 |
| Substance use disorder | 23.28 | 23.18 | 9 | 2041 | 5336 | 42613949 |
| 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 interaction | 92.88 | 20.44 | 118 | 5295 | 500065 | 110083821 |
| Serotonin syndrome | 76.06 | 20.44 | 43 | 5370 | 59110 | 110524776 |
| Suicide attempt | 67.48 | 20.44 | 49 | 5364 | 103345 | 110480541 |
| Intentional overdose | 62.93 | 20.44 | 52 | 5361 | 132449 | 110451437 |
| Altered state of consciousness | 56.06 | 20.44 | 35 | 5378 | 57591 | 110526295 |
| Disease risk factor | 49.60 | 20.44 | 9 | 5404 | 265 | 110583621 |
| Inappropriate antidiuretic hormone secretion | 47.29 | 20.44 | 26 | 5387 | 33825 | 110550061 |
| Drug dependence | 42.74 | 20.44 | 28 | 5385 | 49992 | 110533894 |
| Electrocardiogram QT prolonged | 42.05 | 20.44 | 38 | 5375 | 108922 | 110474964 |
| Delirium | 40.55 | 20.44 | 41 | 5372 | 134984 | 110448902 |
| Coma | 37.62 | 20.44 | 37 | 5376 | 117832 | 110466054 |
| Rhabdomyolysis | 36.96 | 20.44 | 37 | 5376 | 120364 | 110463522 |
| Overdose | 36.80 | 20.44 | 51 | 5362 | 233743 | 110350143 |
| Persecutory delusion | 35.98 | 20.44 | 13 | 5400 | 6278 | 110577608 |
| Somnolence | 35.52 | 20.44 | 57 | 5356 | 297392 | 110286494 |
| Drug-disease interaction | 32.09 | 20.44 | 9 | 5404 | 1927 | 110581959 |
| Sopor | 30.10 | 20.44 | 20 | 5393 | 36526 | 110547360 |
| Ventricular arrhythmia | 30.03 | 20.44 | 13 | 5400 | 10074 | 110573812 |
| Toxicity to various agents | 27.89 | 20.44 | 68 | 5345 | 480487 | 110103399 |
| Hyperammonaemia | 26.20 | 20.44 | 13 | 5400 | 13719 | 110570167 |
| Bradycardia | 26.08 | 20.44 | 35 | 5378 | 155482 | 110428404 |
| Procedural hypotension | 25.55 | 20.44 | 8 | 5405 | 2497 | 110581389 |
| Loss of consciousness | 25.32 | 20.44 | 39 | 5374 | 196267 | 110387619 |
| Blood creatine phosphokinase increased | 25.30 | 20.44 | 24 | 5389 | 73053 | 110510833 |
| Hepatic function abnormal | 24.78 | 20.44 | 26 | 5387 | 89269 | 110494617 |
| Hyperthermia | 23.44 | 20.44 | 14 | 5399 | 21258 | 110562628 |
| Disseminated intravascular coagulation | 23.41 | 20.44 | 18 | 5395 | 41268 | 110542618 |
| Depressed level of consciousness | 23.13 | 20.44 | 28 | 5385 | 112250 | 110471636 |
| Neutrophil count decreased | 23.05 | 20.44 | 29 | 5384 | 120912 | 110462974 |
| Sudden death | 21.67 | 20.44 | 14 | 5399 | 24381 | 110559505 |
| Paraneoplastic syndrome | 21.16 | 20.44 | 6 | 5407 | 1336 | 110582550 |
| Electrocardiogram QRS complex prolonged | 20.98 | 20.44 | 11 | 5402 | 13010 | 110570876 |
| Arrhythmia | 20.64 | 20.44 | 21 | 5392 | 69554 | 110514332 |
| Miosis | 20.48 | 20.44 | 13 | 5400 | 21970 | 110561916 |
None
| Source | Code | Description |
|---|---|---|
| ATC | N05CD04 | NERVOUS SYSTEM PSYCHOLEPTICS HYPNOTICS AND SEDATIVES Benzodiazepine derivatives |
| FDA CS | M0002356 | Benzodiazepines |
| MeSH PA | D000927 | Anticonvulsants |
| MeSH PA | D002492 | Central Nervous System Depressants |
| MeSH PA | D011619 | Psychotropic Drugs |
| MeSH PA | D014151 | Anti-Anxiety Agents |
| MeSH PA | D018377 | Neurotransmitter Agents |
| MeSH PA | D018682 | GABA Agents |
| MeSH PA | D018757 | GABA Modulators |
| CHEBI has role | CHEBI:35474 | anxiolytic drug |
| CHEBI has role | CHEBI:35623 | anticonvulsant |
| CHEBI has role | CHEBI:50268 | GABA modulator |
| FDA EPC | N0000175694 | Benzodiazepine |
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Severe Insomnia | indication | ||
| Alcohol intoxication | contraindication | 25702006 | |
| Depressive disorder | contraindication | 35489007 | |
| Substance abuse | contraindication | 66214007 | |
| Psychotic disorder | contraindication | 69322001 | |
| Sleep apnea | contraindication | 73430006 | DOID:0050847 |
| Kidney disease | contraindication | 90708001 | DOID:557 |
| Myasthenia gravis | contraindication | 91637004 | DOID:437 |
| Disease of liver | contraindication | 235856003 | DOID:409 |
| Pregnancy, function | contraindication | 289908002 | |
| Severe chronic obstructive pulmonary disease | contraindication | 313299006 | |
| Breastfeeding (mother) | contraindication | 413712001 |
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 5.82 | Basic |
| pKa2 | 4.83 | 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 | POSITIVE ALLOSTERIC MODULATOR | WOMBAT-PK | CHEMBL | |||||
| GABA-A receptor alpha-2/beta-3/gamma-2 | Ion channel | POSITIVE ALLOSTERIC MODULATOR | WOMBAT-PK | CHEMBL | |||||
| GABA-A receptor alpha-3/beta-3/gamma-2 | Ion channel | POSITIVE ALLOSTERIC MODULATOR | WOMBAT-PK | CHEMBL | |||||
| GABA-A receptor alpha-5/beta-3/gamma-2 | Ion channel | POSITIVE ALLOSTERIC MODULATOR | WOMBAT-PK | CHEMBL |
| ID | Source |
|---|---|
| 4019566 | VUID |
| N0000147666 | NUI |
| D00311 | KEGG_DRUG |
| 4019566 | VANDF |
| C0014892 | UMLSCUI |
| CHEBI:4858 | CHEBI |
| CHEMBL285674 | ChEMBL_ID |
| DB01215 | DRUGBANK_ID |
| D004949 | MESH_DESCRIPTOR_UI |
| 3261 | PUBCHEM_CID |
| 7550 | IUPHAR_LIGAND_ID |
| 3611 | INN_ID |
| 36S3EQV54C | UNII |
| 4077 | RXNORM |
| 10202 | MMSL |
| 4682 | MMSL |
| d00915 | MMSL |
| 003566 | NDDF |
| 371364001 | SNOMEDCT_US |
| 96235001 | SNOMEDCT_US |
| Product | Category | Ingredients | NDC | Form | Quantity | Route | Marketing | Label |
|---|---|---|---|---|---|---|---|---|
| Estazolam | HUMAN PRESCRIPTION DRUG LABEL | 1 | 0591-0744 | TABLET | 1 mg | ORAL | ANDA | 16 sections |
| Estazolam | HUMAN PRESCRIPTION DRUG LABEL | 1 | 0591-0745 | TABLET | 2 mg | ORAL | ANDA | 16 sections |
| Estazolam | HUMAN PRESCRIPTION DRUG LABEL | 1 | 21695-220 | TABLET | 2 mg | ORAL | ANDA | 29 sections |
| Estazolam | Human Prescription Drug Label | 1 | 70954-480 | TABLET | 1 mg | ORAL | ANDA | 26 sections |
| Estazolam | Human Prescription Drug Label | 1 | 70954-481 | TABLET | 2 mg | ORAL | ANDA | 26 sections |
| Estazolam | HUMAN PRESCRIPTION DRUG LABEL | 1 | 75907-028 | TABLET | 1 mg | ORAL | ANDA | 31 sections |
| Estazolam | HUMAN PRESCRIPTION DRUG LABEL | 1 | 75907-029 | TABLET | 2 mg | ORAL | ANDA | 31 sections |