| Stem definition | Drug id | CAS RN |
|---|---|---|
| 1688 | 60-89-9 |
None
| Property | Value | Reference |
|---|---|---|
| BDDCS (Biopharmaceutical Drug Disposition Classification System) | 1 | Hosey CM, Chan R, Benet LZ |
| S (Water solubility) | 0.01 mg/mL | Bocci G, Oprea TI, Benet LZ |
None
None
None
None
None
None
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Dermatographic urticaria | indication | 7632005 | DOID:743 |
| Angioedema | indication | 41291007 | DOID:1558 |
| General anesthesia | indication | 50697003 | |
| Allergic rhinitis | indication | 61582004 | |
| Nasal discharge | indication | 64531003 | |
| Nasal congestion | indication | 68235000 | |
| Sneezing | indication | 76067001 | |
| Urticaria | indication | 126485001 | |
| Itching of skin | indication | 418363000 | |
| Allergic conjunctivitis | indication | 473460002 | DOID:11204 |
| Alcoholism | contraindication | 7200002 | |
| Organophosphate poisoning | contraindication | 8260003 | |
| Weight gain finding | contraindication | 8943002 | |
| Neuroleptic malignant syndrome | contraindication | 15244003 | DOID:14464 |
| Senile dementia | contraindication | 15662003 | |
| Chronic disease of respiratory system | contraindication | 17097001 | |
| Myocardial infarction | contraindication | 22298006 | DOID:5844 |
| Glaucoma | contraindication | 23986001 | DOID:1686 |
| Orthostatic hypotension | contraindication | 28651003 | |
| Torsades de pointes | contraindication | 31722008 | |
| Parkinsonism | contraindication | 32798002 | |
| Conduction disorder of the heart | contraindication | 44808001 | |
| Chronic heart failure | contraindication | 48447003 | |
| Bradycardia | contraindication | 48867003 | |
| Extrapyramidal disease | contraindication | 76349003 | |
| Hyperglycemia | contraindication | 80394007 | DOID:4195 |
| Epilepsy | contraindication | 84757009 | DOID:1826 |
| Leukopenia | contraindication | 84828003 | DOID:615 |
| Stupor | contraindication | 89458003 | |
| Tardive dyskinesia | contraindication | 102449007 | |
| Prolonged QT interval | contraindication | 111975006 | |
| Acute disease of cardiovascular system | contraindication | 128487001 | |
| Angina pectoris | contraindication | 194828000 | |
| Disease of liver | contraindication | 235856003 | DOID:409 |
| Metabolic syndrome X | contraindication | 237602007 | DOID:14221 |
| Hyperprolactinemia | contraindication | 237662005 | DOID:12700 |
| Benign prostatic hyperplasia | contraindication | 266569009 | |
| Retention of urine | contraindication | 267064002 | |
| Anemia | contraindication | 271737000 | DOID:2355 |
| Thrombocytopenic disorder | contraindication | 302215000 | DOID:1588 |
| Neutropenic disorder | contraindication | 303011007 | DOID:1227 |
| Coma | contraindication | 371632003 | |
| At risk for aspiration | contraindication | 371736008 | |
| Visual impairment | contraindication | 397540003 | |
| Breastfeeding (mother) | contraindication | 413712001 | |
| Myocardial ischemia | contraindication | 414795007 | DOID:3393 |
| Obesity | contraindication | 414916001 | DOID:9970 |
| Congenital long QT syndrome | contraindication | 442917000 | |
| Carcinoma of female breast | contraindication | 447782002 |
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 9.07 | Basic |
| pKa2 | 3.55 | Basic |
None
None
| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Alpha-2A adrenergic receptor | GPCR | Ki | 6.26 | DRUG MATRIX | |||||
| Sigma non-opioid intracellular receptor 1 | Membrane receptor | Ki | 7.12 | DRUG MATRIX | |||||
| Sodium-dependent noradrenaline transporter | Transporter | Ki | 5.73 | DRUG MATRIX | |||||
| 5-hydroxytryptamine receptor 2A | GPCR | Ki | 6.96 | DRUG MATRIX | |||||
| 5-hydroxytryptamine receptor 2B | GPCR | Ki | 6.49 | DRUG MATRIX | |||||
| 5-hydroxytryptamine receptor 2C | GPCR | Ki | 6.59 | DRUG MATRIX | |||||
| 5-hydroxytryptamine receptor 6 | GPCR | Ki | 6.07 | DRUG MATRIX | |||||
| Alpha-2B adrenergic receptor | GPCR | Ki | 6.74 | DRUG MATRIX | |||||
| D(3) dopamine receptor | GPCR | Ki | 6.17 | DRUG MATRIX | |||||
| Histamine H1 receptor | GPCR | Ki | 8.50 | DRUG MATRIX | |||||
| Muscarinic acetylcholine receptor M1 | GPCR | Ki | 7.72 | DRUG MATRIX | |||||
| Muscarinic acetylcholine receptor M2 | GPCR | Ki | 6.70 | DRUG MATRIX | |||||
| Muscarinic acetylcholine receptor M3 | GPCR | Ki | 7.40 | DRUG MATRIX | |||||
| Muscarinic acetylcholine receptor M4 | GPCR | Ki | 7.72 | DRUG MATRIX | |||||
| Muscarinic acetylcholine receptor M5 | GPCR | Ki | 7.55 | DRUG MATRIX | |||||
| Alpha-1D adrenergic receptor | GPCR | Ki | 7.24 | DRUG MATRIX | |||||
| FAD-linked sulfhydryl oxidase ALR | Enzyme | AC50 | 7.01 | CHEMBL | |||||
| Mucosa-associated lymphoid tissue lymphoma translocation protein 1 | Enzyme | IC50 | 6.38 | CHEMBL | |||||
| Alpha-1B adrenergic receptor | GPCR | Ki | 7.47 | DRUG MATRIX | |||||
| Membrane-associated progesterone receptor component 1 | Membrane receptor | Ki | 6.41 | DRUG MATRIX | |||||
| Alpha-1A adrenergic receptor | GPCR | IC50 | 6.84 | CHEMBL |
| ID | Source |
|---|---|
| D02607 | KEGG_DRUG |
| CHEBI:135324 | CHEBI |
| CHEMBL395110 | ChEMBL_ID |
| C100190 | MESH_SUPPLEMENTAL_RECORD_UI |
| 9782 | IUPHAR_LIGAND_ID |
| 001484 | NDDF |
| 9663002 | SNOMEDCT_US |
| C0065954 | UMLSCUI |
| CHEMBL1712842 | ChEMBL_ID |
| 523 | INN_ID |
| 6075 | PUBCHEM_CID |
| PH34873A38 | UNII |
None