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| Stem definition | Drug id | CAS RN |
|---|---|---|
| 4075 | 85721-05-7 |
| Molecule | Description |
|---|---|
|
Synonyms:
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None
None
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| kinase-safety-class | ACVR2B,AKT2,AKT3,AURKA,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK4,CDK5,CDK9,CHEK1,DDR1,DYRK1B,EIF2AK3,EPHB4,ERBB2,FLT3,GRK2,ITK,JAK2,JAK3,MAP3K21,MAP3K7,MAPK10,MAPK12,MAPK7,MAPK9,MAPKAPK2,MET,MTOR,NTRK2,PAK4,PDK1,PDK2,PDK4,PDPK1,PIK3CB,PIM2,PRKDC,SIK2,SIK3,STK33,TEK,TTK | 46 | |||
| kinase-selectivity-class | AXL,BRAF,EPHB4,MAPK7,PDK4,SIK2,STK33,TTK | 8 | |||
| 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 |
|---|---|---|---|---|---|---|
| Blood prolactin abnormal | 1049.40 | 171.91 | 163 | 2582 | 3103 | 90622599 |
| Anosognosia | 1037.11 | 171.91 | 163 | 2582 | 3359 | 90622343 |
| Disturbance in social behaviour | 1008.90 | 171.91 | 163 | 2582 | 4025 | 90621677 |
| Sexual dysfunction | 986.55 | 171.91 | 163 | 2582 | 4641 | 90621061 |
| Metabolic disorder | 914.67 | 171.91 | 163 | 2582 | 7307 | 90618395 |
| Personality change | 858.26 | 171.91 | 154 | 2591 | 7167 | 90618535 |
| Dystonia | 782.64 | 171.91 | 163 | 2582 | 16656 | 90609046 |
| Dyskinesia | 666.88 | 171.91 | 165 | 2580 | 36369 | 90589333 |
| Sedation | 645.61 | 171.91 | 170 | 2575 | 48001 | 90577701 |
| Suicide attempt | 539.76 | 171.91 | 163 | 2582 | 75236 | 90550466 |
| Blood glucose increased | 502.24 | 171.91 | 163 | 2582 | 95083 | 90530619 |
| Insurance issue | 191.51 | 171.91 | 48 | 2697 | 10910 | 90614792 |
| 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 |
|---|---|---|---|---|---|---|
| Anosognosia | 298.74 | 49.96 | 51 | 2166 | 993 | 42618125 |
| Blood prolactin abnormal | 298.20 | 49.96 | 51 | 2166 | 1004 | 42618114 |
| Disturbance in social behaviour | 264.60 | 49.96 | 50 | 2167 | 1753 | 42617365 |
| Metabolic disorder | 221.25 | 49.96 | 51 | 2166 | 4737 | 42614381 |
| Sexual dysfunction | 208.66 | 49.96 | 52 | 2165 | 6723 | 42612395 |
| Dystonia | 189.16 | 49.96 | 55 | 2162 | 12735 | 42606383 |
| Dyskinesia | 178.80 | 49.96 | 62 | 2155 | 25328 | 42593790 |
| Personality change | 161.64 | 49.96 | 41 | 2176 | 5678 | 42613440 |
| Sedation | 114.36 | 49.96 | 47 | 2170 | 30428 | 42588690 |
| Suicide attempt | 98.71 | 49.96 | 48 | 2169 | 46052 | 42573066 |
| Blood glucose increased | 95.93 | 49.96 | 55 | 2162 | 73644 | 42545474 |
| Extrapyramidal disorder | 67.27 | 49.96 | 27 | 2190 | 16385 | 42602733 |
| Psychotic disorder | 64.20 | 49.96 | 31 | 2186 | 29177 | 42589941 |
| Neuroleptic malignant syndrome | 63.49 | 49.96 | 28 | 2189 | 21444 | 42597674 |
| Anxiolytic therapy | 61.87 | 49.96 | 9 | 2208 | 57 | 42619061 |
| Drug therapy enhancement | 60.72 | 49.96 | 9 | 2208 | 66 | 42619052 |
| Iatrogenic injury | 60.49 | 49.96 | 13 | 2204 | 869 | 42618249 |
| Antipsychotic drug level increased | 55.54 | 49.96 | 17 | 2200 | 4649 | 42614469 |
| Antipsychotic drug level decreased | 51.27 | 49.96 | 12 | 2205 | 1181 | 42617937 |
| 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 prolactin abnormal | 1121.18 | 63.87 | 184 | 4319 | 3651 | 110581145 |
| Anosognosia | 1110.07 | 63.87 | 184 | 4319 | 3890 | 110580906 |
| Disturbance in social behaviour | 1070.30 | 63.87 | 184 | 4319 | 4874 | 110579922 |
| Sexual dysfunction | 980.59 | 63.87 | 185 | 4318 | 8345 | 110576451 |
| Metabolic disorder | 935.94 | 63.87 | 184 | 4319 | 10326 | 110574470 |
| Personality change | 879.25 | 63.87 | 176 | 4327 | 10826 | 110573970 |
| Dystonia | 786.91 | 63.87 | 187 | 4316 | 25618 | 110559178 |
| Dyskinesia | 704.50 | 63.87 | 197 | 4306 | 51249 | 110533547 |
| Sedation | 636.87 | 63.87 | 195 | 4308 | 69488 | 110515308 |
| Suicide attempt | 545.77 | 63.87 | 191 | 4312 | 103203 | 110481593 |
| Blood glucose increased | 485.15 | 63.87 | 187 | 4316 | 132309 | 110452487 |
| Insurance issue | 202.64 | 63.87 | 53 | 4450 | 10559 | 110574237 |
| Adverse drug reaction | 185.81 | 63.87 | 89 | 4414 | 105470 | 110479326 |
| Drug ineffective | 126.31 | 63.87 | 222 | 4281 | 1520318 | 109064478 |
| Personality change due to a general medical condition | 112.49 | 63.87 | 18 | 4485 | 297 | 110584499 |
| Condition aggravated | 87.58 | 63.87 | 127 | 4376 | 734709 | 109850087 |
| Extrapyramidal disorder | 75.01 | 63.87 | 32 | 4471 | 28835 | 110555961 |
| Anxiolytic therapy | 64.06 | 63.87 | 9 | 4494 | 57 | 110584739 |
| Drug therapy enhancement | 64.06 | 63.87 | 9 | 4494 | 57 | 110584739 |
None
| Source | Code | Description |
|---|---|---|
| MeSH PA | D002491 | Central Nervous System Agents |
| MeSH PA | D002492 | Central Nervous System Depressants |
| MeSH PA | D011619 | Psychotropic Drugs |
| MeSH PA | D014149 | Tranquilizing Agents |
| MeSH PA | D014150 | Antipsychotic Agents |
| MeSH PA | D015259 | Dopamine Agents |
| MeSH PA | D018377 | Neurotransmitter Agents |
| MeSH PA | D018492 | Dopamine Antagonists |
| CHEBI has role | CHEBI:37890 | α-adrenergic antagonist |
| CHEBI has role | CHEBI:37955 | H<small><sub>1</sub></small>-receptor antagonist |
| CHEBI has role | CHEBI:48279 | serotonergic antagonist |
| CHEBI has role | CHEBI:48561 | dopaminergic antagonist |
| CHEBI has role | CHEBI:65190 | first generation antipsychotic |
None
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 7.47 | Basic |
| pKa2 | 3.47 | Basic |
None
None
None
| ID | Source |
|---|---|
| C0149491 | UMLSCUI |
| C060342 | MESH_SUPPLEMENTAL_RECORD_UI |
| 349S2ZHF05 | UNII |
| 6436640 | PUBCHEM_CID |
| 58338 | RXNORM |
| 004070 | NDDF |
| 387566002 | SNOMEDCT_US |
| 395931006 | SNOMEDCT_US |
| 427940003 | SNOMEDCT_US |
| C0009026 | UMLSCUI |
| CHEBI:135722 | CHEBI |
| DB13841 | DRUGBANK_ID |
| 12454 | PUBCHEM_CID |
| 1315 | INN_ID |
| D003006 | MESH_DESCRIPTOR_UI |
| 349S2ZHF05 | INXIGHT DRUGS |
None