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| Stem definition | Drug id | CAS RN |
|---|---|---|
| 2804 | 2430-27-5 |
| Molecule | Description |
|---|---|
|
Synonyms:
|
|
| Dose | Unit | Route |
|---|---|---|
| 1.50 | g | O |
| Property | Value | Reference |
|---|---|---|
| BA (Bioavailability) | 79 % | Kim MT, Sedykh A, Chakravarti SK, Saiakhov RD, Zhu H |
| BDDCS (Biopharmaceutical Drug Disposition Classification System) | 2 | Bocci G, Oprea TI, Benet LZ |
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| kinase-safety-class | ACVR2A,ACVR2B,ACVRL1,ALK,AURKA,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK4,CDK5,CDK9,DDR1,DYRK1B,EGFR,EIF2AK3,EPHB4,ERBB2,FLT3,GRK2,GSK3B,IKBKB,ITK,JAK1,JAK2,MAP2K6,MAP3K21,MAP3K7,MAPK7,MAPK9,MAPKAPK2,MTOR,NTRK2,PDK1,PDK2,PDK4,PDPK1,PIK3CB,PIK3CD,PIK3CG,PIM2,PLK1,PRKCD,PRKDC,SIK2,SIK3,STK33,SYK,TEK,TGFBR1,TTK,ULK1,ZAP70 | 54 | |||
| kinase-selectivity-class | AXL,GRK2,PDK4 | 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 |
|---|---|---|---|---|---|---|
| Coma | 157.55 | 63.42 | 53 | 1242 | 72579 | 90554573 |
| Poisoning deliberate | 135.73 | 63.42 | 34 | 1261 | 16452 | 90610700 |
| Toxicity to various agents | 77.31 | 63.42 | 49 | 1246 | 287797 | 90339355 |
| Suicide attempt | 74.57 | 63.42 | 31 | 1264 | 75368 | 90551784 |
| Bradycardia | 71.40 | 63.42 | 31 | 1264 | 83816 | 90543336 |
| 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 |
|---|---|---|---|---|---|---|
| Poisoning deliberate | 89.20 | 52.75 | 24 | 899 | 10110 | 42610302 |
| Meningioma | 81.12 | 52.75 | 16 | 907 | 1711 | 42618701 |
| Altered state of consciousness | 75.32 | 52.75 | 27 | 896 | 29232 | 42591180 |
| Somnolence | 74.64 | 52.75 | 43 | 880 | 141062 | 42479350 |
| Hypometabolism | 53.10 | 52.75 | 8 | 915 | 171 | 42620241 |
| 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 |
|---|---|---|---|---|---|---|
| Poisoning deliberate | 215.66 | 50.08 | 58 | 2166 | 26273 | 110560802 |
| Coma | 180.71 | 50.08 | 73 | 2151 | 117796 | 110469279 |
| Wrong patient received product | 80.30 | 50.08 | 20 | 2204 | 6654 | 110580421 |
| Hypothermia | 75.95 | 50.08 | 26 | 2198 | 26276 | 110560799 |
| Somnolence | 71.32 | 50.08 | 54 | 2170 | 297395 | 110289680 |
| Altered state of consciousness | 68.96 | 50.08 | 30 | 2194 | 57596 | 110529479 |
| Suicide attempt | 66.14 | 50.08 | 35 | 2189 | 103359 | 110483716 |
| Toxicity to various agents | 63.53 | 50.08 | 62 | 2162 | 480493 | 110106582 |
| Hypotension | 62.65 | 50.08 | 64 | 2160 | 523785 | 110063290 |
| Hypometabolism | 53.15 | 50.08 | 8 | 2216 | 183 | 110586892 |
| Hepatocellular injury | 52.97 | 50.08 | 24 | 2200 | 50618 | 110536457 |
| Alkalosis hypochloraemic | 50.55 | 50.08 | 9 | 2215 | 592 | 110586483 |
None
| Source | Code | Description |
|---|---|---|
| ATC | N03AG02 | NERVOUS SYSTEM ANTIEPILEPTICS ANTIEPILEPTICS Fatty acid derivatives |
| MeSH PA | D000927 | Anticonvulsants |
| MeSH PA | D002491 | Central Nervous System Agents |
| CHEBI has role | CHEBI:25212 | metabolite |
| CHEBI has role | CHEBI:35623 | anticonvulsant |
| CHEBI has role | CHEBI:50905 | teratogenic agent |
| CHEBI has role | CHEBI:176497 | geroprotector |
None
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 13.58 | acidic |
None
None
None
| ID | Source |
|---|---|
| D02766 | KEGG_DRUG |
| 1116-24-1 | SECONDARY_CAS_RN |
| C0058426 | UMLSCUI |
| VPR | PDB_CHEM_ID |
| CHEMBL93836 | ChEMBL_ID |
| DB04165 | DRUGBANK_ID |
| 71113 | PUBCHEM_CID |
| 4365 | INN_ID |
| C004651 | MESH_SUPPLEMENTAL_RECORD_UI |
| RUA6CWU76G | UNII |
| 23420 | RXNORM |
| 005370 | NDDF |
| 698808002 | SNOMEDCT_US |
| CHEBI:46316 | CHEBI |
None