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| Stem definition | Drug id | CAS RN |
|---|---|---|
| 2075 | 2152-34-3 |
| Dose | Unit | Route |
|---|---|---|
| 40 | mg | O |
| Property | Value | Reference |
|---|---|---|
| BDDCS (Biopharmaceutical Drug Disposition Classification System) | 3 | Hosey CM, Chan R, Benet LZ |
| S (Water solubility) | 0.56 mg/mL | Bocci G, Oprea TI, Benet LZ |
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| kinase-safety-class | ACVR2A,ACVR2B,ALK,AURKA,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK5,CDK9,DDR1,DYRK1B,EIF2AK3,EPHB4,ERBB2,FLT3,GRK2,GSK3B,ITK,JAK1,JAK2,MAP3K21,MAP3K7,MAPK10,MAPK7,MAPK9,MARK4,MET,MTOR,NTRK2,PDK2,PDK4,PIK3CB,PIK3CD,PIK3CG,PIM2,PRKCD,PRKDC,SIK2,SIK3,STK33,SYK,TEK,TTK,ULK1 | 46 | |||
| kinase-selectivity-class | AXL,EIF2AK3,GRK2,MAPK7 | 4 | |||
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 |
| Date | Agency | Company | Orphan |
|---|---|---|---|
| Jan. 27, 1975 | FDA |
None
None
None
None
| Source | Code | Description |
|---|---|---|
| ATC | N06BA05 | NERVOUS SYSTEM PSYCHOANALEPTICS PSYCHOSTIMULANTS, AGENTS USED FOR ADHD AND NOOTROPICS Centrally acting sympathomimetics |
| MeSH PA | D000697 | Central Nervous System Stimulants |
| CHEBI has role | CHEBI:35337 | central nervous system stimulant |
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Attention deficit hyperactivity disorder | indication | 406506008 |
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 3.91 | Basic |
None
None
| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter | Transporter | Ki | 6.38 | DRUG MATRIX |
| ID | Source |
|---|---|
| 4018726 | VUID |
| N0000147031 | NUI |
| D00744 | KEGG_DRUG |
| 4018726 | VANDF |
| C0030800 | UMLSCUI |
| CHEBI:7953 | CHEBI |
| CHEMBL1177 | ChEMBL_ID |
| DB01230 | DRUGBANK_ID |
| D010389 | MESH_DESCRIPTOR_UI |
| 4723 | PUBCHEM_CID |
| 1054 | INN_ID |
| 7GAQ2332NK | UNII |
| 7966 | RXNORM |
| 31002 | MMSL |
| 5240 | MMSL |
| d00901 | MMSL |
| 001384 | NDDF |
| 006725 | NDDF |
| 006726 | NDDF |
| 387393000 | SNOMEDCT_US |
| 70776005 | SNOMEDCT_US |
None