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| Stem definition | Drug id | CAS RN |
|---|---|---|
| 1562 | 156-34-3 |
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| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| kinase-safety-class | ACVR2A,ACVR2B,AKT1,AKT2,AKT3,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK5,CDK9,DDR1,DYRK1B,EIF2AK3,EPHB4,ERBB2,FLT3,GRK2,ITK,JAK2,JAK3,MAP2K6,MAP3K21,MAP3K7,MAPK12,MAPK7,MET,NTRK2,PDK2,PDK4,PIM2,PRKCD,PRKDC,SIK2,SIK3,STK33,SYK,TEK,TGFBR1 | 40 | |||
| kinase-selectivity-class | AKT2,AKT3,AXL,FLT3,GRK2,PDK4,PRKCD,SIK2 | 8 | |||
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 |
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| Source | Code | Description |
|---|---|---|
| MeSH PA | D000697 | Central Nervous System Stimulants |
| MeSH PA | D013566 | Sympathomimetics |
| MeSH PA | D014179 | Neurotransmitter Uptake Inhibitors |
| MeSH PA | D015259 | Dopamine Agents |
| MeSH PA | D018377 | Neurotransmitter Agents |
| MeSH PA | D018663 | Adrenergic Agents |
| MeSH PA | D018759 | Adrenergic Uptake Inhibitors |
| MeSH PA | D018765 | Dopamine Uptake Inhibitors |
| MeSH PA | D049990 | Membrane Transport Modulators |
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| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 9.89 | Basic |
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| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | Membrane receptor | Ki | 4.33 | CHEMBL | |||||
| Trace amine-associated receptor 1 | GPCR | EC50 | 6.60 | CHEMBL | |||||
| Trace amine-associated receptor 1 | GPCR | EC50 | 5.73 | CHEMBL | |||||
| Trace amine-associated receptor 1 | GPCR | EC50 | 7.47 | CHEMBL | |||||
| Trace amine-associated receptor 1 | GPCR | EC50 | 7.19 | CHEMBL | |||||
| Serotonin (5-HT) receptor | GPCR | Kd | 5.16 | CHEMBL |
| ID | Source |
|---|---|
| D04704 | KEGG_DRUG |
| CHEBI:42724 | CHEBI |
| CHEMBL19393 | ChEMBL_ID |
| CHEMBL2106371 | ChEMBL_ID |
| 5634-40-2 | SECONDARY_CAS_RN |
| 85242006 | SNOMEDCT_US |
| C0301355 | UMLSCUI |
| D000661 | MESH_DESCRIPTOR_UI |
| FRD | PDB_CHEM_ID |
| 1313 | INN_ID |
| 32893 | PUBCHEM_CID |
| R87US8P740 | UNII |
| R87US8P740 | INXIGHT DRUGS |
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