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| Stem definition | Drug id | CAS RN |
|---|---|---|
| 64 | 3040-38-8 |
None
| Property | Value | Reference |
|---|---|---|
| BA (Bioavailability) | 10 % | Kim MT, Sedykh A, Chakravarti SK, Saiakhov RD, Zhu H |
| S (Water solubility) | 32 mg/mL | Bocci G, Oprea TI, Benet LZ |
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| kinase-safety-class | ACVR2A,ACVR2B,ACVRL1,AKT2,AKT3,ALK,AURKA,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK4,CDK5,CDK9,DDR1,DYRK1B,EGFR,EIF2AK3,EPHB4,ERBB2,FLT3,GRK2,GSK3B,IGF1R,IKBKB,ITK,JAK1,JAK2,JAK3,MAP2K6,MAP3K21,MAP3K7,MAPK10,MAPK7,MAPK9,MAPKAPK2,MET,MTOR,NTRK2,PDK1,PDK2,PDK4,PDPK1,PIK3CB,PIK3CD,PIK3CG,PIM2,PLK1,PLK2,PLK3,PLK4,PRKCD,PRKDC,SIK2,SIK3,STK33,SYK,TEK,TGFBR1,TTK,ULK1,ZAP70 | 63 | |||
| kinase-selectivity-class | ACVR2B,AXL,BRAF,CAMK2D,CDK4,GRK2,MAPK7,TEK | 8 | |||
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 |
None
None
None
None
None
| Source | Code | Description |
|---|---|---|
| ATC | N06BX12 | NERVOUS SYSTEM PSYCHOANALEPTICS PSYCHOSTIMULANTS, AGENTS USED FOR ADHD AND NOOTROPICS Other psychostimulants and nootropics |
| FDA CS | M0003493 | Carnitine |
| MeSH PA | D014803 | Vitamin B Complex |
| MeSH PA | D014815 | Vitamins |
| MeSH PA | D018697 | Nootropic Agents |
| MeSH PA | D018977 | Micronutrients |
| FDA EPC | N0000175903 | Carnitine Analog |
| CHEBI has role | CHEBI:77746 | human metabolite |
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Senile dementia | indication | 15662003 | |
| Alzheimer's disease | indication | 26929004 | DOID:10652 |
| Kidney disease | contraindication | 90708001 | DOID:557 |
| Seizure disorder | contraindication | 128613002 |
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 3.41 | acidic |
None
None
None
| ID | Source |
|---|---|
| 4029065 | VUID |
| N0000179824 | NUI |
| 193 | RXNORM |
| C0001040 | UMLSCUI |
| CHEBI:73024 | CHEBI |
| CHEMBL1697733 | ChEMBL_ID |
| DB08842 | DRUGBANK_ID |
| D000108 | MESH_DESCRIPTOR_UI |
| 7045767 | PUBCHEM_CID |
| 6DH1W9VH8Q | UNII |
| DB00583 | DRUGBANK_ID |
| 10540 | MMSL |
| 147388 | MMSL |
| 44191 | MMSL |
| 4970 | MMSL |
| d00491 | MMSL |
| C0087163 | UMLSCUI |
| 10917 | PUBCHEM_CID |
| 6098 | INN_ID |
| 4018934 | VANDF |
| 4020870 | VANDF |
| 4029065 | VANDF |
| D002331 | MESH_DESCRIPTOR_UI |
| 003576 | NDDF |
| 006988 | NDDF |
| 329486002 | SNOMEDCT_US |
| 372601001 | SNOMEDCT_US |
| CHEBI:16347 | CHEBI |
| 6DH1W9VH8Q | INXIGHT DRUGS |
None