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| Stem definition | Drug id | CAS RN |
|---|---|---|
| 664 | 987-78-0 |
None
None
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| kinase-safety-class | ACVR2A,ACVR2B,ACVRL1,AXL,BRAF,BTK,CAMK2D,CDK4,CDK5,CDK9,DDR1,DYRK1B,EIF2AK3,EPHB4,ERBB2,GRK2,ITK,MAP2K6,MAP3K21,MAPK10,MAPK7,NTRK2,PDK1,PDK2,PIK3CB,PIM2,PRKDC,SIK2,STK33,SYK,TEK,TGFBR1,ZAP70 | 33 | |||
| kinase-selectivity-class | AXL,BRAF,CDK4,CDK9,EPHB4,ERBB2,GRK2,MAP2K6,MAP3K14,MAPK7,PRKDC,STK33,SYK,TEK,ZAP70 | 15 | |||
| 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 |
|---|---|---|---|---|---|---|
| Drug interaction | 81.01 | 62.27 | 32 | 300 | 276421 | 90351694 |
| Apraxia | 75.56 | 62.27 | 12 | 320 | 2250 | 90625865 |
| Neuroleptic malignant syndrome | 75.13 | 62.27 | 16 | 316 | 15080 | 90613035 |
| Perseveration | 63.65 | 62.27 | 8 | 324 | 277 | 90627838 |
| 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 |
|---|---|---|---|---|---|---|
| Blood triglycerides increased | 77.13 | 48.45 | 19 | 316 | 15877 | 42605123 |
| Blood cholesterol increased | 67.33 | 48.45 | 19 | 316 | 26722 | 42594278 |
| Hyperglycaemia | 57.22 | 48.45 | 19 | 316 | 45840 | 42575160 |
| Hypertension | 50.82 | 48.45 | 25 | 310 | 167179 | 42453821 |
| 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 |
|---|---|---|---|---|---|---|
| Blood triglycerides increased | 76.96 | 42.65 | 20 | 721 | 23906 | 110564652 |
| Apraxia | 62.84 | 42.65 | 12 | 729 | 3528 | 110585030 |
| Drug interaction | 60.94 | 42.65 | 39 | 702 | 500144 | 110088414 |
| Perseveration | 55.53 | 42.65 | 8 | 733 | 419 | 110588139 |
| Neuroleptic malignant syndrome | 52.40 | 42.65 | 16 | 725 | 34043 | 110554515 |
| Hyperglycaemia | 48.42 | 42.65 | 19 | 722 | 85071 | 110503487 |
| Hyperreflexia | 45.84 | 42.65 | 11 | 730 | 9474 | 110579084 |
None
| Source | Code | Description |
|---|---|---|
| ATC | N06BX06 | NERVOUS SYSTEM PSYCHOANALEPTICS PSYCHOSTIMULANTS, AGENTS USED FOR ADHD AND NOOTROPICS Other psychostimulants and nootropics |
| MeSH PA | D018697 | Nootropic Agents |
| CHEBI has role | CHEBI:22587 | antiviral agent |
| CHEBI has role | CHEBI:39456 | antiglaucoma drug |
| CHEBI has role | CHEBI:63726 | neuroprotective agent |
| CHEBI has role | CHEBI:35476 | antipsychotic agent |
None
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 2.08 | acidic |
| pKa2 | 11.57 | acidic |
| pKa3 | 13.08 | acidic |
| pKa4 | 4.04 | Basic |
None
None
None
| ID | Source |
|---|---|
| 4029346 | VUID |
| N0000180302 | NUI |
| D00057 | KEGG_DRUG |
| 1099914 | RXNORM |
| C0010725 | UMLSCUI |
| CHEBI:16436 | CHEBI |
| CHEMBL1256994 | ChEMBL_ID |
| CHEMBL1231700 | ChEMBL_ID |
| DB12153 | DRUGBANK_ID |
| 2290 | INN_ID |
| 33818-15-4 | SECONDARY_CAS_RN |
| 536BQ2JVC7 | UNII |
| 13804 | PUBCHEM_CID |
| 22451 | MMSL |
| d05961 | MMSL |
| 004171 | NDDF |
| 009636 | NDDF |
| 1163164009 | SNOMEDCT_US |
| 1163165005 | SNOMEDCT_US |
| 698027009 | SNOMEDCT_US |
| D003566 | MESH_DESCRIPTOR_UI |
| CDC | PDB_CHEM_ID |
| 4029346 | VANDF |
None