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| Stem definition | Drug id | CAS RN |
|---|---|---|
| 161 | 57574-09-1 |
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| Property | Value | Reference |
|---|---|---|
| BDDCS (Biopharmaceutical Drug Disposition Classification System) | 2 | Bocci G, Oprea TI, Benet LZ |
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| kinase-safety-class | ACVR2A,ACVR2B,AURKA,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK5,CDK9,DYRK1B,EGFR,EIF2AK3,EPHB4,ERBB2,GRK2,ITK,JAK2,MAP2K6,MAP3K21,MAP3K7,MAPK14,MAPK7,MAPKAPK2,NTRK2,PDK1,PDK2,PDK4,PIK3CB,PIM2,PRKDC,STK33,SYK,TEK,TGFBR1,ZAP70 | 36 | |||
| kinase-selectivity-class | AXL,BRAF,EIF2AK3,EPHB4,GRK2,MAP2K6,PDK4,STK33,TEK,TTK | 10 | |||
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 |
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None
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None
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| Source | Code | Description |
|---|---|---|
| ATC | N06AA19 | NERVOUS SYSTEM PSYCHOANALEPTICS ANTIDEPRESSANTS Non-selective monoamine reuptake inhibitors |
| MeSH PA | D000928 | Antidepressive Agents |
| MeSH PA | D000929 | Antidepressive Agents, Tricyclic |
| MeSH PA | D002491 | Central Nervous System Agents |
| MeSH PA | D011619 | Psychotropic Drugs |
| CHEBI has role | CHEBI:35469 | antidepressant |
| CHEBI has role | CHEBI:51039 | dopamine uptake inhibitor |
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Depressive disorder | indication | 35489007 |
None
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| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 4.76 | acidic |
| pKa2 | 9.01 | Basic |
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| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter | Transporter | IC50 | 6 | CHEMBL |
| ID | Source |
|---|---|
| D07335 | KEGG_DRUG |
| 17698 | RXNORM |
| C0051607 | UMLSCUI |
| CHEBI:32499 | CHEBI |
| CHEMBL418995 | ChEMBL_ID |
| DB04836 | DRUGBANK_ID |
| 34870 | PUBCHEM_CID |
| 3998 | INN_ID |
| 27T1I13L6G | UNII |
| CHEMBL1697712 | ChEMBL_ID |
| 30272-08-3 | SECONDARY_CAS_RN |
| C011597 | MESH_SUPPLEMENTAL_RECORD_UI |
| 004325 | NDDF |
| 004326 | NDDF |
| 27T1I13L6G | INXIGHT DRUGS |
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