Stem definition | Drug id | CAS RN |
---|---|---|
2784 | 51-67-2 |
None
None
None
None
None
None
None
Source | Code | Description |
---|---|---|
MeSH PA | D018663 | Adrenergic Agents |
MeSH PA | D018759 | Adrenergic Uptake Inhibitors |
MeSH PA | D049990 | Membrane Transport Modulators |
MeSH PA | D018377 | Neurotransmitter Agents |
MeSH PA | D014179 | Neurotransmitter Uptake Inhibitors |
MeSH PA | D018373 | Peripheral Nervous System Agents |
MeSH PA | D013566 | Sympathomimetics |
CHEBI has role | CHEBI:25512 | neurotransmitters |
CHEBI has role | CHEBI:37733 | EC 3.1.1.8 inhibitor |
CHEBI has role | CHEBI:75771 | Mus musculus metabolites |
CHEBI has role | CHEBI:76971 | Escherichia coli metabolites |
CHEBI has role | CHEBI:77746 | Homo sapiens metabolite |
Disease | Relation | SNOMED_ID | DOID |
---|---|---|---|
Hypercholesterolemia | indication | 13644009 | |
Hyperlipidemia | indication | 55822004 | DOID:1168 |
Biliary Obstruction with Pruritus | indication | ||
Poisoning by digitalis glycoside | off-label use | 12876009 | |
Chronic diarrhea | off-label use | 236071009 | |
Classical phenylketonuria | contraindication | 7573000 | |
Constipation | contraindication | 14760008 | DOID:2089 |
Hypovolemia | contraindication | 28560003 | |
Blood coagulation disorder | contraindication | 64779008 | DOID:1247 |
Hemorrhoids | contraindication | 70153002 | DOID:9746 |
Kidney disease | contraindication | 90708001 | DOID:557 |
Calculus in biliary tract | contraindication | 266474003 | |
Complete Biliary Obstruction | contraindication |
None
None
Dissociation level | Dissociation constant | Type (acidic/basic) |
---|---|---|
pKa1 | 10.46 | acidic |
pKa2 | 9.73 | Basic |
None
None
Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
---|---|---|---|---|---|---|---|---|---|
Trace amine-associated receptor 1 | GPCR | AGONIST | EC50 | 7.16 | WOMBAT-PK | SCIENTIFIC LITERATURE | |||
Beta-secretase 1 | Enzyme | Kd | 2.70 | CHEMBL | |||||
5-hydroxytryptamine receptor 3A | Ion channel | EC50 | 4.59 | CHEMBL | |||||
Trace amine-associated receptor 1 | GPCR | AGONIST | EC50 | 7.20 | IUPHAR | ||||
TyR1 | GPCR | EC50 | 6.43 | CHEMBL | |||||
Serotonin (5-HT) receptor | GPCR | Kd | 5.07 | CHEMBL | |||||
Trace amine-associated receptor 1 | GPCR | AGONIST | EC50 | 7.10 | IUPHAR |
ID | Source |
---|---|
4021457 | VUID |
N0000148848 | NUI |
4021457 | VANDF |
C0041479 | UMLSCUI |
CHEBI:15760 | CHEBI |
AEF | PDB_CHEM_ID |
CHEMBL11608 | ChEMBL_ID |
DB08841 | DRUGBANK_ID |
D014439 | MESH_DESCRIPTOR_UI |
5610 | PUBCHEM_CID |
2150 | IUPHAR_LIGAND_ID |
60-19-5 | SECONDARY_CAS_RN |
X8ZC7V0OX3 | UNII |
10958 | RXNORM |
007120 | NDDF |
007121 | NDDF |
CHEMBL1255790 | ChEMBL_ID |
None