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| Stem definition | Drug id | CAS RN |
|---|---|---|
| 3478 | 302-41-0 |
| Dose | Unit | Route |
|---|---|---|
| 45 | mg | P |
| Property | Value | Reference |
|---|---|---|
| Vd (Volume of distribution) | 4.70 L/kg | Lombardo F, Berellini G, Obach RS |
| CL (Clearance) | 7.80 mL/min/kg | Lombardo F, Berellini G, Obach RS |
| fu (Fraction unbound in plasma) | 0.06 % | Lombardo F, Berellini G, Obach RS |
| t_half (Half-life) | 8 hours | Lombardo F, Berellini G, Obach RS |
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| kinase-safety-class | ACVR2A,ACVR2B,AKT2,AKT3,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK5,CDK9,DDR1,DYRK1B,EIF2AK3,EPHB4,ERBB2,FLT3,GRK2,ITK,JAK2,MAP3K21,MAP3K7,MAPK10,MAPK12,MAPK7,MET,NTRK2,PDK2,PDK4,PIK3CB,PIM2,PRKDC,SIK2,SIK3,STK33,TEK,TGFBR1,TTK | 38 | |||
| kinase-selectivity-class | AXL,EPHB4,ERBB2,FLT3,GRK2,PDK4,SIK2,SIK3,STK33 | 9 | |||
| 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 |
|---|---|---|---|---|---|---|
| Toxic epidermal necrolysis | 108.26 | 32.61 | 37 | 2056 | 32491 | 90593863 |
| Stevens-Johnson syndrome | 73.31 | 32.61 | 27 | 2066 | 29349 | 90597005 |
| Patent ductus arteriosus | 69.57 | 32.61 | 17 | 2076 | 4552 | 90621802 |
| Basal ganglion degeneration | 67.45 | 32.61 | 11 | 2082 | 371 | 90625983 |
| Anaesthesia | 65.31 | 32.61 | 11 | 2082 | 453 | 90625901 |
| Tissue infiltration | 58.41 | 32.61 | 11 | 2082 | 859 | 90625495 |
| Congenital central hypoventilation syndrome | 56.28 | 32.61 | 7 | 2086 | 29 | 90626325 |
| Inguinal hernia | 54.23 | 32.61 | 12 | 2081 | 2086 | 90624268 |
| Uterine enlargement | 53.60 | 32.61 | 11 | 2082 | 1337 | 90625017 |
| Psychogenic seizure | 49.19 | 32.61 | 11 | 2082 | 2005 | 90624349 |
| Renal cyst | 48.03 | 32.61 | 16 | 2077 | 12934 | 90613420 |
| Neurological decompensation | 43.15 | 32.61 | 11 | 2082 | 3490 | 90622864 |
| Hypochromic anaemia | 43.03 | 32.61 | 10 | 2083 | 2161 | 90624193 |
| Monoplegia | 42.63 | 32.61 | 11 | 2082 | 3663 | 90622691 |
| Hyperventilation | 40.35 | 32.61 | 12 | 2081 | 6716 | 90619638 |
| Dysaesthesia | 38.73 | 32.61 | 11 | 2082 | 5244 | 90621110 |
| Intervertebral disc disorder | 38.31 | 32.61 | 11 | 2082 | 5449 | 90620905 |
| Abdominal tenderness | 36.49 | 32.61 | 12 | 2081 | 9312 | 90617042 |
| Hyperpyrexia | 35.24 | 32.61 | 10 | 2083 | 4751 | 90621603 |
| Premature baby | 34.44 | 32.61 | 15 | 2078 | 25062 | 90601292 |
| 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 pressure measurement | 67.54 | 40.34 | 10 | 910 | 190 | 42620225 |
| Weight bearing difficulty | 49.25 | 40.34 | 10 | 910 | 1238 | 42619177 |
| Motor developmental delay | 42.10 | 40.34 | 8 | 912 | 703 | 42619712 |
| 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 |
|---|---|---|---|---|---|---|
| Hyperventilation | 80.94 | 36.73 | 22 | 2538 | 8925 | 110577814 |
| Toxic epidermal necrolysis | 71.68 | 36.73 | 32 | 2528 | 56695 | 110530044 |
| Stevens-Johnson syndrome | 67.51 | 36.73 | 29 | 2531 | 46872 | 110539867 |
| Basal ganglion degeneration | 65.97 | 36.73 | 11 | 2549 | 425 | 110586314 |
| Anaesthesia | 62.38 | 36.73 | 11 | 2549 | 593 | 110586146 |
| Blood pressure measurement | 57.07 | 36.73 | 10 | 2550 | 520 | 110586219 |
| Uterine enlargement | 57.01 | 36.73 | 11 | 2549 | 974 | 110585765 |
| Tissue infiltration | 56.39 | 36.73 | 11 | 2549 | 1032 | 110585707 |
| Congenital central hypoventilation syndrome | 56.26 | 36.73 | 7 | 2553 | 29 | 110586710 |
| Hypochromic anaemia | 54.28 | 36.73 | 13 | 2547 | 3188 | 110583551 |
| Psychogenic seizure | 47.42 | 36.73 | 11 | 2549 | 2353 | 110584386 |
| Inguinal hernia | 42.93 | 36.73 | 13 | 2547 | 7712 | 110579027 |
| Monoplegia | 39.44 | 36.73 | 11 | 2549 | 4898 | 110581841 |
| Intervertebral disc disorder | 38.18 | 36.73 | 11 | 2549 | 5501 | 110581238 |
| Weight bearing difficulty | 37.84 | 36.73 | 10 | 2550 | 3641 | 110583098 |
| Speech disorder | 36.99 | 36.73 | 21 | 2539 | 61548 | 110525191 |
None
| Source | Code | Description |
|---|---|---|
| ATC | N02AC03 | NERVOUS SYSTEM ANALGESICS OPIOIDS Diphenylpropylamine derivatives |
| MeSH PA | D000700 | Analgesics |
| MeSH PA | D000701 | Analgesics, Opioid |
| MeSH PA | D002492 | Central Nervous System Depressants |
| MeSH PA | D009294 | Narcotics |
| MeSH PA | D018689 | Sensory System Agents |
| CHEBI has role | CHEBI:35480 | analgesic |
None
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 8.07 | Basic |
| pKa2 | 6.0 | Basic |
None
None
None
| ID | Source |
|---|---|
| N0000167338 | NUI |
| D07288 | KEGG_DRUG |
| C0031982 | UMLSCUI |
| CHEBI:135699 | CHEBI |
| CHEMBL559288 | ChEMBL_ID |
| DB12492 | DRUGBANK_ID |
| 9331 | PUBCHEM_CID |
| 1343 | INN_ID |
| 4RP92LYZ2F | UNII |
| 8354 | RXNORM |
| 006892 | NDDF |
| 707837002 | SNOMEDCT_US |
| D010892 | MESH_DESCRIPTOR_UI |
None