Stem definition | Drug id | CAS RN |
---|---|---|
diazepam derivatives | 93 | 37115-32-5 |
None
Property | Value | Reference |
---|---|---|
MRTD (Maximum Recommended Therapeutic Daily Dose) | 3.65 ยตM/kg/day | Contrera JF, Matthews EJ, Kruhlak NL, Benz RD |
BA (Bioavailability) | 39 % | Kim MT, Sedykh A, Chakravarti SK, Saiakhov RD, Zhu H |
Vd (Volume of distribution) | 0.98 L/kg | Lombardo F, Berellini G, Obach RS |
CL (Clearance) | 6.20 mL/min/kg | Lombardo F, Berellini G, Obach RS |
fu (Fraction unbound in plasma) | 0.31 % | Lombardo F, Berellini G, Obach RS |
t_half (Half-life) | 2.10 hours | Lombardo F, Berellini G, Obach RS |
S (Water solubility) | 0.07 mg/mL | Bocci G, Oprea TI, Benet LZ |
BDDCS (Biopharmaceutical Drug Disposition Classification System) | 2 | Bocci G, Oprea TI, Benet LZ |
None
None
None
None
None
Source | Code | Description |
---|---|---|
ATC | N05BA07 | NERVOUS SYSTEM PSYCHOLEPTICS ANXIOLYTICS Benzodiazepine derivatives |
MeSH PA | D000928 | Antidepressive Agents |
MeSH PA | D002491 | Central Nervous System Agents |
MeSH PA | D011619 | Psychotropic Drugs |
CHEBI has role | CHEBI:35469 | antidepressants |
CHEBI has role | CHEBI:35474 | anti-anxiety agents |
CHEBI has role | CHEBI:35623 | anticonvulsants |
CHEBI has role | CHEBI:35717 | hypnotics |
Disease | Relation | SNOMED_ID | DOID |
---|---|---|---|
Anxiety | indication | 48694002 |
None
None
Dissociation level | Dissociation constant | Type (acidic/basic) |
---|---|---|
pKa1 | 6.71 | Basic |
pKa2 | 5.26 | Basic |
pKa3 | 3.67 | Basic |
None
None
Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
---|---|---|---|---|---|---|---|---|---|
GABA-A receptor | Ion channel | POSITIVE ALLOSTERIC MODULATOR | SCIENTIFIC LITERATURE | KEGG DRUG | |||||
Translocator protein | Transporter | IC50 | 7.10 | WOMBAT-PK |
ID | Source |
---|---|
D02770 | KEGG_DRUG |
C0050844 | UMLSCUI |
CHEBI:251412 | CHEBI |
CHEMBL328250 | ChEMBL_ID |
DB00546 | DRUGBANK_ID |
C039668 | MESH_SUPPLEMENTAL_RECORD_UI |
37632 | PUBCHEM_CID |
C074080 | MESH_SUPPLEMENTAL_RECORD_UI |
4996 | INN_ID |
57938-82-6 | SECONDARY_CAS_RN |
KN08449444 | UNII |
CHEMBL2106672 | ChEMBL_ID |
None