| Stem definition | Drug id | CAS RN |
|---|---|---|
| 2014 | 60607-34-3 |
| Dose | Unit | Route |
|---|---|---|
| 60 | mg | O |
| Property | Value | Reference |
|---|---|---|
| BDDCS (Biopharmaceutical Drug Disposition Classification System) | 2 | Benet LZ, Broccatelli F, Oprea TI |
| S (Water solubility) | 0.04 mg/mL | Benet LZ, Broccatelli F, Oprea TI |
| EoM (Fraction excreted unchanged in urine) | 0 % | Benet LZ, Broccatelli F, Oprea TI |
| MRTD (Maximum Recommended Therapeutic Daily Dose) | 1.93 ยตM/kg/day | Contrera JF, Matthews EJ, Kruhlak NL, Benz RD |
| Date | Agency | Company | Orphan |
|---|---|---|---|
| Jan. 1, 1981 | YEAR INTRODUCED |
None
None
None
None
| Source | Code | Description |
|---|---|---|
| ATC | R06AE06 | RESPIRATORY SYSTEM ANTIHISTAMINES FOR SYSTEMIC USE ANTIHISTAMINES FOR SYSTEMIC USE Piperazine derivatives |
| MeSH PA | D018926 | Anti-Allergic Agents |
| MeSH PA | D018927 | Anti-Asthmatic Agents |
| MeSH PA | D018494 | Histamine Agents |
| MeSH PA | D006633 | Histamine Antagonists |
| MeSH PA | D006634 | Histamine H1 Antagonists |
| MeSH PA | D018377 | Neurotransmitter Agents |
| MeSH PA | D019141 | Respiratory System Agents |
| CHEBI has role | CHEBI:37955 | H1 receptor antagonists |
| CHEBI has role | CHEBI:48279 | serotonin antagonists |
| CHEBI has role | CHEBI:50857 | anti-allergic drugs |
| CHEBI has role | CHEBI:67079 | anti-inflammatory agents |
| CHEBI has role | CHEBI:176497 | geroprotectors |
None
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 10.04 | acidic |
| pKa2 | 7.15 | Basic |
| pKa3 | 3.15 | Basic |
None
None
| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Histamine H1 receptor | GPCR | ANTAGONIST | Ki | 7.70 | WOMBAT-PK | SCIENTIFIC LITERATURE | |||
| 5-hydroxytryptamine receptor 2A | GPCR | Ki | 8.06 | WOMBAT-PK | |||||
| 5-hydroxytryptamine receptor 2B | GPCR | Ki | 8.15 | WOMBAT-PK | |||||
| D(3) dopamine receptor | GPCR | Ki | 7.20 | WOMBAT-PK | |||||
| P2X purinoceptor 7 | Ion channel | IC50 | 6.08 | CHEMBL | |||||
| Muscarinic acetylcholine receptor M1 | GPCR | Ki | 6.13 | WOMBAT-PK | |||||
| Histamine H1 receptor | GPCR | IC50 | 8.05 | CHEMBL |
| ID | Source |
|---|---|
| D01773 | KEGG_DRUG |
| C0134337 | UMLSCUI |
| CHEBI:31943 | CHEBI |
| CHEMBL13828 | ChEMBL_ID |
| DB12877 | DRUGBANK_ID |
| C015408 | MESH_SUPPLEMENTAL_RECORD_UI |
| 4615 | PUBCHEM_CID |
| 4329 | INN_ID |
| J31IL9Z2EE | UNII |
| 54236 | RXNORM |
| 004013 | NDDF |
| 320759006 | SNOMEDCT_US |
| 419369005 | SNOMEDCT_US |
None