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| Stem definition | Drug id | CAS RN |
|---|---|---|
| sympathomimetics | 4482 | 829-74-3 |
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| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| kinase-safety-class | ACVR2A,ACVR2B,ACVRL1,AKT2,AKT3,ALK,AURKA,AURKC,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK2,CDK4,CDK5,CDK9,CSF1R,DDR1,DYRK1B,EGFR,EIF2AK3,EPHB4,ERBB2,FLT1,FLT3,GRK2,GRK3,GSK3B,IGF1R,ITK,JAK1,JAK2,JAK3,KDR,KIT,MAP2K6,MAP3K14,MAP3K21,MAP3K7,MAP4K1,MAP4K3,MAPK1,MAPK10,MAPK12,MAPK14,MAPK7,MAPK8,MAPK9,MAPKAPK2,MARK4,MTOR,NTRK1,NTRK2,PDK1,PDK2,PDK4,PDPK1,PIK3CB,PIM2,PLK1,PLK2,PLK3,PLK4,PRKCD,PRKDC,PTK2,SIK2,SIK3,SRC,STK33,SYK,TEK,TGFBR1,TTK,ULK1,ULK2,ZAP70 | 78 | |||
| kinase-selectivity-class | ACVR2B,ACVRL1,AXL,CDK9,EIF2AK3,EPHB4,GRK2,MAP2K6,MAP3K14,MAPK8,STK33,SYK,TEK,TGFBR1 | 14 | |||
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 |
| Date | Agency | Company | Orphan |
|---|---|---|---|
| Jan. 6, 1960 | FDA | EASTMAN KODAK |
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| Source | Code | Description |
|---|---|---|
| MeSH PA | D002317 | Cardiovascular Agents |
| MeSH PA | D014662 | Vasoconstrictor Agents |
| CHEBI has role | CHEBI:35569 | alpha-adrenergic agonists |
| CHEBI has role | CHEBI:77715 | nasal decongestants |
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| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 9.45 | acidic |
| pKa2 | 12.29 | acidic |
| pKa3 | 12.9 | acidic |
| pKa4 | 8.73 | Basic |
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| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Adrenergic receptor alpha-2 | GPCR | AGONIST | CHEMBL | CHEMBL | |||||
| Alpha-1D adrenergic receptor | GPCR | AGONIST | Ki | 5.60 | IUPHAR | ||||
| Adrenergic receptor alpha-2 | GPCR | Ki | 6.69 | CHEMBL | |||||
| Adrenergic receptor alpha-1 | GPCR | Ki | 5.44 | CHEMBL |
| ID | Source |
|---|---|
| D02388 | KEGG_DRUG |
| 4018992 | VUID |
| N0000147269 | NUI |
| 4018992 | VANDF |
| CHEBI:141146 | CHEBI |
| CHEMBL677 | ChEMBL_ID |
| 508 | IUPHAR_LIGAND_ID |
| DB06707 | DRUGBANK_ID |
| 132889 | RXNORM |
| d05369 | MMSL |
| 001789 | NDDF |
| 387230002 | SNOMEDCT_US |
| 41470001 | SNOMEDCT_US |
| C0520472 | UMLSCUI |
| D008771 | MESH_DESCRIPTOR_UI |
| 164739 | PUBCHEM_CID |
| 50 | INN_ID |
| V008L6478D | UNII |
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