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| Stem definition | Drug id | CAS RN |
|---|---|---|
| 787 | 108-01-0 |
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| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| kinase-safety-class | ACVR2A,ACVR2B,ALK,AURKA,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK4,CDK5,CDK9,CHEK1,DDR1,DYRK1B,EGFR,EIF2AK3,EPHB4,ERBB2,FLT3,GRK2,IRAK1,ITK,JAK1,JAK2,MAP2K6,MAP3K21,MAP3K7,MAPK7,MAPKAPK2,MET,MTOR,NTRK2,PDK2,PDK4,PIK3CD,PIM2,PRKCD,PRKDC,SIK2,SIK3,STK33,SYK,TEK,TGFBR1,TTK,ULK1 | 47 | |||
| kinase-selectivity-class | ABL2,ALK,BLK,BRAF,CAMK2D,CDK4,CSF1R,DDR1,EGFR,EIF2AK3,EPHA2,EPHB4,ERBB2,FLT3,GAK,INSR,IRAK1,IRAK3,LCK,LRRK2,LYN,MAP3K7,MAP3K9,MAP4K1,MAP4K3,MAP4K5,MAPK11,MAPK7,MET,PRKCD,PTK2,SIK2,SIK3,SRC,STK33,TEK,TTK | 37 | |||
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 |
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| Source | Code | Description |
|---|---|---|
| ATC | N06BX04 | NERVOUS SYSTEM PSYCHOANALEPTICS PSYCHOSTIMULANTS, AGENTS USED FOR ADHD AND NOOTROPICS Other psychostimulants and nootropics |
| MeSH PA | D000928 | Antidepressive Agents |
| MeSH PA | D011619 | Psychotropic Drugs |
| MeSH PA | D018726 | Anti-Dyskinesia Agents |
| CHEBI has role | CHEBI:48578 | free radical scavengers |
| CHEBI has role | CHEBI:75358 | curing agents |
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| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 9.18 | Basic |
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| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| High affinity choline transporter 1 | Transporter | Ki | 4.25 | CHEMBL | |||||
| Creatine transporter | Transporter | Ki | 4.68 | CHEMBL |
| ID | Source |
|---|---|
| 2N6K9DRA24 | UNII |
| N0000166807 | NUI |
| D07777 | KEGG_DRUG |
| 3116 | RXNORM |
| C0011064 | UMLSCUI |
| CHEBI:271436 | CHEBI |
| CHEMBL3833347 | ChEMBL_ID |
| CHEMBL122588 | ChEMBL_ID |
| 7902 | PUBCHEM_CID |
| DB13352 | DRUGBANK_ID |
| CHEMBL1135 | ChEMBL_ID |
| D003642 | MESH_DESCRIPTOR_UI |
| 001541 | NDDF |
| 7904003 | SNOMEDCT_US |
| 4036720 | VANDF |
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