| Stem definition | Drug id | CAS RN |
|---|---|---|
| ergot alkaloid derivatives | 2601 | 37686-84-3 |
None
| Property | Value | Reference |
|---|---|---|
| BA (Bioavailability) | 30 % | Kim MT, Sedykh A, Chakravarti SK, Saiakhov RD, Zhu H |
| Date | Agency | Company | Orphan |
|---|---|---|---|
| None | PMDA |
None
None
None
None
| Source | Code | Description |
|---|---|---|
| ATC | G02CB06 | GENITO URINARY SYSTEM AND SEX HORMONES OTHER GYNECOLOGICALS OTHER GYNECOLOGICALS Prolactine inhibitors |
| MeSH PA | D015259 | Dopamine Agents |
| MeSH PA | D018491 | Dopamine Agonists |
| MeSH PA | D018377 | Neurotransmitter Agents |
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Pulmonary arterial hypertension | indication | 11399002 | |
| Chronic thromboembolic pulmonary hypertension | indication | 233947005 |
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 13.07 | acidic |
| pKa2 | 13.69 | acidic |
| pKa3 | 8.0 | Basic |
None
None
| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A | GPCR | AGONIST | Ki | 8.30 | IUPHAR | SCIENTIFIC LITERATURE | |||
| 5-hydroxytryptamine receptor 2B | GPCR | ANTAGONIST | Ki | 8.20 | IUPHAR | SCIENTIFIC LITERATURE | |||
| D(1A) dopamine receptor | GPCR | Ki | 7.55 | PDSP | |||||
| D(2) dopamine receptor | GPCR | AGONIST | Ki | 9.10 | IUPHAR | ||||
| Alpha-2A adrenergic receptor | GPCR | ANTAGONIST | Ki | 9.50 | IUPHAR | ||||
| 5-hydroxytryptamine receptor 1A | GPCR | AGONIST | Ki | 8.50 | IUPHAR | ||||
| 5-hydroxytryptamine receptor 2C | GPCR | ANTAGONIST | Ki | 7.30 | IUPHAR | ||||
| Alpha-1A adrenergic receptor | GPCR | ANTAGONIST | Ki | 8.50 | IUPHAR | ||||
| Alpha-2B adrenergic receptor | GPCR | ANTAGONIST | Ki | 9.40 | IUPHAR | ||||
| D(3) dopamine receptor | GPCR | AGONIST | Ki | 9 | IUPHAR | ||||
| D(1B) dopamine receptor | GPCR | Ki | 7.63 | PDSP | |||||
| Beta-1 adrenergic receptor | GPCR | Ki | 6.18 | PDSP | |||||
| 5-hydroxytryptamine receptor 1D | GPCR | AGONIST | Ki | 7.80 | IUPHAR | ||||
| Alpha-2C adrenergic receptor | GPCR | ANTAGONIST | Ki | 9.10 | IUPHAR | ||||
| D(4) dopamine receptor | GPCR | ANTAGONIST | Ki | 8.10 | IUPHAR | ||||
| Alpha-1D adrenergic receptor | GPCR | Ki | 8.41 | PDSP | |||||
| Alpha-1B adrenergic receptor | GPCR | Ki | 7.46 | PDSP | |||||
| 5-hydroxytryptamine receptor 1B | GPCR | AGONIST | Ki | 6.60 | IUPHAR | ||||
| Beta-2 adrenergic receptor | GPCR | Ki | 7.70 | PDSP | |||||
| D(2) dopamine receptor | GPCR | IC50 | 8.40 | CHEMBL | |||||
| 5-hydroxytryptamine receptor 1A | GPCR | IC50 | 7.60 | CHEMBL | |||||
| D(1A) dopamine receptor | GPCR | IC50 | 7.16 | CHEMBL |
| ID | Source |
|---|---|
| D01348 | KEGG_DRUG |
| 37686-85-4 | SECONDARY_CAS_RN |
| C0058446 | UMLSCUI |
| CHEBI:32193 | CHEBI |
| CHEMBL73151 | ChEMBL_ID |
| DB13399 | DRUGBANK_ID |
| C006208 | MESH_SUPPLEMENTAL_RECORD_UI |
| 443951 | PUBCHEM_CID |
| 56 | IUPHAR_LIGAND_ID |
| 5437 | INN_ID |
| 21OJT43Q88 | UNII |
None