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| Stem definition | Drug id | CAS RN |
|---|---|---|
| vinca alkaloids | 2828 | 42971-09-5 |
| Dose | Unit | Route |
|---|---|---|
| 15 | mg | O |
| Property | Value | Reference |
|---|---|---|
| BA (Bioavailability) | 33 % | Kim MT, Sedykh A, Chakravarti SK, Saiakhov RD, Zhu H |
| Vd (Volume of distribution) | 2.08 L/kg | Lombardo F, Berellini G, Obach RS |
| CL (Clearance) | 6.10 mL/min/kg | Lombardo F, Berellini G, Obach RS |
| fu (Fraction unbound in plasma) | 0.02 % | Lombardo F, Berellini G, Obach RS |
| t_half (Half-life) | 4.83 hours | Lombardo F, Berellini G, Obach RS |
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| kinase-safety-class | ACVR2A,ACVR2B,AKT2,AKT3,AURKA,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK4,CDK5,CDK9,CHEK1,DDR1,DYRK1B,EIF2AK3,EPHB4,ERBB2,FLT3,GRK2,GSK3B,ITK,JAK2,JAK3,MAP3K21,MAP3K7,MAPK10,MAPK7,MAPK9,MAPKAPK2,MET,MTOR,NTRK2,PDK1,PDK4,PDPK1,PIK3CA,PIK3CB,PIM2,PRKCD,PRKDC,SIK2,SIK3,STK33,SYK,TEK,TGFBR1,TTK,ZAP70 | 50 | |||
| kinase-selectivity-class | AXL,BRAF,GRK2 | 3 | |||
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 |
None
| MedDRA adverse event term | Likelihood ratio | Likelihood ratio threshold | Patients taking drug having adverse event | Patients taking drug not having adverse event | Patients not taking drug having adverse event | Patients not taking drug not having adverse event |
|---|---|---|---|---|---|---|
| Tension | 109.82 | 50.47 | 20 | 738 | 3662 | 90624027 |
| Disturbance in attention | 63.17 | 50.47 | 21 | 737 | 47088 | 90580601 |
| Cognitive disorder | 62.54 | 50.47 | 23 | 735 | 69384 | 90558305 |
| Psychomotor retardation | 62.32 | 50.47 | 13 | 745 | 4776 | 90622913 |
| Flat affect | 62.19 | 50.47 | 11 | 747 | 1700 | 90625989 |
| Bradykinesia | 57.81 | 50.47 | 13 | 745 | 6775 | 90620914 |
| Illusion | 51.79 | 50.47 | 9 | 749 | 1255 | 90626434 |
| Autism spectrum disorder | 51.58 | 50.47 | 9 | 749 | 1284 | 90626405 |
| Anhedonia | 51.07 | 50.47 | 13 | 745 | 11418 | 90616271 |
None
| MedDRA adverse event term | Likelihood ratio | Likelihood ratio threshold | Patients taking drug having adverse event | Patients taking drug not having adverse event | Patients not taking drug having adverse event | Patients not taking drug not having adverse event |
|---|---|---|---|---|---|---|
| Tension | 102.94 | 40.19 | 20 | 924 | 5058 | 110583297 |
| Flat affect | 57.76 | 40.19 | 11 | 933 | 2494 | 110585861 |
| Disturbance in attention | 57.05 | 40.19 | 21 | 923 | 61974 | 110526381 |
| Cognitive disorder | 56.84 | 40.19 | 23 | 921 | 87488 | 110500867 |
| Psychomotor retardation | 55.73 | 40.19 | 13 | 931 | 7779 | 110580576 |
| Bradykinesia | 51.53 | 40.19 | 13 | 931 | 10775 | 110577580 |
| Autism spectrum disorder | 47.70 | 40.19 | 9 | 935 | 1939 | 110586416 |
| Illusion | 47.44 | 40.19 | 9 | 935 | 1998 | 110586357 |
| Overweight | 47.37 | 40.19 | 11 | 933 | 6453 | 110581902 |
| Anhedonia | 46.92 | 40.19 | 13 | 931 | 15415 | 110572940 |
None
| Source | Code | Description |
|---|---|---|
| ATC | N06BX18 | NERVOUS SYSTEM PSYCHOANALEPTICS PSYCHOSTIMULANTS, AGENTS USED FOR ADHD AND NOOTROPICS Other psychostimulants and nootropics |
| MeSH PA | D002317 | Cardiovascular Agents |
| MeSH PA | D002491 | Central Nervous System Agents |
| MeSH PA | D004791 | Enzyme Inhibitors |
| MeSH PA | D010726 | Phosphodiesterase Inhibitors |
| MeSH PA | D014665 | Vasodilator Agents |
| MeSH PA | D018696 | Neuroprotective Agents |
| MeSH PA | D018697 | Nootropic Agents |
| MeSH PA | D020011 | Protective Agents |
| CHEBI has role | CHEBI:176497 | geroprotector |
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Dementia | indication | 52448006 |
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 7.03 | Basic |
None
None
| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Potassium voltage-gated channel subfamily H member 2 | Ion channel | IC50 | 7.41 | CHEMBL | |||||
| Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A | Enzyme | IC50 | 5.10 | CHEMBL | |||||
| Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1C | Enzyme | INHIBITOR | IC50 | 4.30 | IUPHAR | ||||
| Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B | Enzyme | IC50 | 5.10 | CHEMBL | |||||
| Phosphodiesterase 1 | Enzyme | IC50 | 4.72 | CHEMBL |
| ID | Source |
|---|---|
| 4024909 | VUID |
| N0000171574 | NUI |
| D01371 | KEGG_DRUG |
| 4024909 | VANDF |
| C0059752 | UMLSCUI |
| CHEBI:32297 | CHEBI |
| T7F | PDB_CHEM_ID |
| CHEMBL71752 | ChEMBL_ID |
| DB12131 | DRUGBANK_ID |
| C013983 | MESH_SUPPLEMENTAL_RECORD_UI |
| 443955 | PUBCHEM_CID |
| 5285 | IUPHAR_LIGAND_ID |
| 4046 | INN_ID |
| 543512OBTC | UNII |
| 24506 | RXNORM |
| 005991 | NDDF |
| 716059001 | SNOMEDCT_US |
None