Stem definition | Drug id | CAS RN |
---|---|---|
serotonin receptor antagonists (5-HT3) | 2775 | 89565-68-4 |
Dose | Unit | Route |
---|---|---|
5 | mg | O |
5 | mg | P |
Property | Value | Reference |
---|---|---|
BDDCS (Biopharmaceutical Drug Disposition Classification System) | 1 | Benet LZ, Broccatelli F, Oprea TI |
S (Water solubility) | 11 mg/mL | Benet LZ, Broccatelli F, Oprea TI |
EoM (Fraction excreted unchanged in urine) | 8 % | Benet LZ, Broccatelli F, Oprea TI |
MRTD (Maximum Recommended Therapeutic Daily Dose) | 0.25 µM/kg/day | Contrera JF, Matthews EJ, Kruhlak NL, Benz RD |
BA (Bioavailability) | 66 % | Kim MT, Sedykh A, Chakravarti SK, Saiakhov RD, Zhu H |
Vd (Volume of distribution) | 9.70 L/kg | Lombardo F, Berellini G, Obach RS |
CL (Clearance) | 26 mL/min/kg | Lombardo F, Berellini G, Obach RS |
t_half (Half-life) | 5.60 hours | Lombardo F, Berellini G, Obach RS |
Date | Agency | Company | Orphan |
---|---|---|---|
Jan. 1, 1992 | 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 |
---|---|---|---|---|---|---|
Bone marrow failure | 105.26 | 35.42 | 36 | 1268 | 30079 | 53317683 |
White blood cell count decreased | 51.48 | 35.42 | 34 | 1270 | 124441 | 53223321 |
Neutrophil count decreased | 40.46 | 35.42 | 21 | 1283 | 49077 | 53298685 |
Tongue neoplasm malignant stage unspecified | 39.67 | 35.42 | 8 | 1296 | 842 | 53346920 |
Myelosuppression | 35.80 | 35.42 | 13 | 1291 | 12815 | 53334947 |
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 |
---|---|---|---|---|---|---|
Bone marrow failure | 42.43 | 33.37 | 20 | 977 | 30384 | 32482145 |
Myelosuppression | 41.49 | 33.37 | 15 | 982 | 11661 | 32500868 |
Platelet count decreased | 38.21 | 33.37 | 30 | 967 | 114561 | 32397968 |
Source | Code | Description |
---|---|---|
ATC | A04AA03 | ALIMENTARY TRACT AND METABOLISM ANTIEMETICS AND ANTINAUSEANTS ANTIEMETICS AND ANTINAUSEANTS Serotonin (5HT3) antagonists |
MeSH PA | D000932 | Antiemetics |
MeSH PA | D002491 | Central Nervous System Agents |
MeSH PA | D005765 | Gastrointestinal Agents |
MeSH PA | D018377 | Neurotransmitter Agents |
MeSH PA | D018373 | Peripheral Nervous System Agents |
MeSH PA | D058831 | Serotonin 5-HT3 Receptor Antagonists |
MeSH PA | D018490 | Serotonin Agents |
MeSH PA | D012702 | Serotonin Antagonists |
CHEBI has role | CHEBI:36335 | trypanosomicidal agents |
CHEBI has role | CHEBI:47958 | muscarinic agonists |
CHEBI has role | CHEBI:48279 | 5-hydroxytryptamine antagonists |
CHEBI has role | CHEBI:50846 | Biomodulator |
CHEBI has role | CHEBI:50919 | antiemetico |
CHEBI has role | CHEBI:63726 | neuroprotective agents |
CHEBI has role | CHEBI:67079 | antiinflammatory agents |
CHEBI has role | CHEBI:68494 | Type I programmed cell-death inhibitors |
Disease | Relation | SNOMED_ID | DOID |
---|---|---|---|
Chemotherapy-induced nausea and vomiting | indication | 236084000 |
Dissociation level | Dissociation constant | Type (acidic/basic) |
---|---|---|
pKa1 | 12.91 | acidic |
pKa2 | 9.49 | Basic |
None
None
Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
---|---|---|---|---|---|---|---|---|---|
5-hydroxytryptamine receptor 3A | Ion channel | ANTAGONIST | Ki | 8.80 | IUPHAR | IUPHAR | |||
Sodium-dependent serotonin transporter | Transporter | Ki | 6.59 | DRUG MATRIX | |||||
5-hydroxytryptamine receptor 1A | GPCR | Ki | 8.28 | CHEMBL | |||||
Muscarinic acetylcholine receptor M5 | GPCR | Ki | 5.61 | DRUG MATRIX | |||||
Glycine receptor subunit alpha-1 | Ion channel | ANTAGONIST | Ki | 4.10 | IUPHAR | ||||
Glycine receptor subunit alpha-2 | Ion channel | ANTAGONIST | Ki | 4.90 | IUPHAR | ||||
5-hydroxytryptamine receptor 4 | GPCR | Ki | 6.85 | WOMBAT-PK | |||||
Neuronal acetylcholine receptor subunit alpha-7 | Ion channel | Ki | 8.16 | CHEMBL | |||||
Glycine receptor subunit beta | Ion channel | ANTAGONIST | Ki | 5.30 | IUPHAR | ||||
Neuronal acetylcholine receptor; alpha4/beta2 | Ion channel | Ki | 4.26 | CHEMBL | |||||
Acetylcholine receptor; alpha1/beta1/delta/gamma | Ion channel | Ki | 4.57 | CHEMBL | |||||
5-hydroxytryptamine receptor 3B | Ion channel | Ki | 8.80 | CHEMBL | |||||
Neuronal acetylcholine receptor subunit alpha-3 | Ion channel | Ki | 4.80 | CHEMBL | |||||
Neuronal acetylcholine receptor subunit alpha-7 | Ion channel | EC50 | 8 | CHEMBL | |||||
5-hydroxytryptamine receptor 4 | GPCR | Ki | 7.20 | CHEMBL | |||||
Neuronal acetylcholine receptor subunit alpha-7 | Ion channel | Ki | 8.16 | CHEMBL | |||||
5-hydroxytryptamine receptor 3A | Ion channel | Kd | 7.52 | CHEMBL | |||||
Serotonin 3 (5-HT3) receptor | Ion channel | Ki | 8.89 | CHEMBL | |||||
Serotonin 3 receptor (5HT3) | Ion channel | Ki | 8.42 | CHEMBL | |||||
5-hydroxytryptamine receptor 4 | GPCR | Ki | 6.90 | CHEMBL | |||||
5-hydroxytryptamine receptor 4 | GPCR | ANTAGONIST | Ki | 7.10 | IUPHAR |
ID | Source |
---|---|
D02041 | KEGG_DRUG |
105826-92-4 | SECONDARY_CAS_RN |
C0063322 | UMLSCUI |
CHEBI:32269 | CHEBI |
TKT | PDB_CHEM_ID |
CHEMBL56564 | ChEMBL_ID |
DB11699 | DRUGBANK_ID |
D000077526 | MESH_DESCRIPTOR_UI |
656665 | PUBCHEM_CID |
260 | IUPHAR_LIGAND_ID |
6535 | INN_ID |
6I819NIK1W | UNII |
235997 | RXNORM |
004472 | NDDF |
004473 | NDDF |
322201005 | SNOMEDCT_US |
395917006 | SNOMEDCT_US |
426339000 | SNOMEDCT_US |
None