Stem definition | Drug id | CAS RN |
---|---|---|
antiasthmatics or antiallergics, not acting primarily as antihistaminics anti-allergic or anti-inflammatory, not acting as anti-histaminics | 2714 | 53902-12-8 |
None
Property | Value | Reference |
---|---|---|
S (Water solubility) | 0.01 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 |
---|---|---|
MeSH PA | D000700 | Analgesics |
MeSH PA | D018712 | Analgesics, Non-Narcotic |
MeSH PA | D018926 | Anti-Allergic Agents |
MeSH PA | D000893 | Anti-Inflammatory Agents |
MeSH PA | D000894 | Anti-Inflammatory Agents, Non-Steroidal |
MeSH PA | D018501 | Antirheumatic Agents |
MeSH PA | D002121 | Calcium Channel Blockers |
MeSH PA | D000077264 | Calcium-Regulating Hormones and Agents |
MeSH PA | D002317 | Cardiovascular Agents |
MeSH PA | D006401 | Hematologic Agents |
MeSH PA | D018494 | Histamine Agents |
MeSH PA | D006633 | Histamine Antagonists |
MeSH PA | D006634 | Histamine H1 Antagonists |
MeSH PA | D049990 | Membrane Transport Modulators |
MeSH PA | D018377 | Neurotransmitter Agents |
MeSH PA | D018373 | Peripheral Nervous System Agents |
MeSH PA | D010975 | Platelet Aggregation Inhibitors |
MeSH PA | D018689 | Sensory System Agents |
CHEBI has role | CHEBI:35610 | antineoplastic agents |
CHEBI has role | CHEBI:38215 | calcium channel blockers |
CHEBI has role | CHEBI:49167 | anti-asthmatic drugs |
CHEBI has role | CHEBI:50857 | anti-allergic drugs |
CHEBI has role | CHEBI:62868 | hepatoprotective agents |
CHEBI has role | CHEBI:72768 | AhR agonist |
CHEBI has role | CHEBI:76595 | nephroprotective agents |
Disease | Relation | SNOMED_ID | DOID |
---|---|---|---|
Hypertrophic scar | indication | 19843006 | |
Atopic dermatitis | indication | 24079001 | DOID:3310 |
Keloid scar | indication | 33659008 | |
Allergic rhinitis | indication | 61582004 | |
Asthma | indication | 195967001 | DOID:2841 |
None
None
Dissociation level | Dissociation constant | Type (acidic/basic) |
---|---|---|
pKa1 | 2.97 | acidic |
pKa2 | 11.7 | acidic |
None
None
Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
---|---|---|---|---|---|---|---|---|---|
Hematopoietic prostaglandin D synthase | Enzyme | IC50 | 4.94 | CHEMBL | |||||
Transient receptor potential cation channel subfamily V member 2 | Ion channel | BLOCKER | IC50 | 5 | IUPHAR | ||||
NACHT, LRR and PYD domains-containing protein 3 | Unclassified | IC50 | 4.60 | CHEMBL |
ID | Source |
---|---|
D02027 | KEGG_DRUG |
C0146337 | UMLSCUI |
CHEBI:77572 | CHEBI |
D27 | PDB_CHEM_ID |
CHEMBL415324 | ChEMBL_ID |
DB07615 | DRUGBANK_ID |
C012293 | MESH_SUPPLEMENTAL_RECORD_UI |
5282230 | PUBCHEM_CID |
6326 | IUPHAR_LIGAND_ID |
5070 | INN_ID |
HVF50SMY6E | UNII |
57330 | RXNORM |
009960 | NDDF |
None