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| Stem definition | Drug id | CAS RN |
|---|---|---|
| anorexics | 618 | 461-78-9 |
None
| Property | Value | Reference |
|---|---|---|
| BDDCS (Biopharmaceutical Drug Disposition Classification System) | 0 | Benet LZ, Broccatelli F, Oprea TI |
| EoM (Fraction excreted unchanged in urine) | 17 % | Benet LZ, Broccatelli F, Oprea TI |
| MRTD (Maximum Recommended Therapeutic Daily Dose) | 4.87 ยตM/kg/day | Contrera JF, Matthews EJ, Kruhlak NL, Benz RD |
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| kinase-safety-class | ACVR2A,ACVR2B,AKT1,AKT2,AKT3,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,MET,MTOR,NTRK2,PAK4,PDK2,PDK4,PDPK1,PIK3CB,PIM2,PRKCD,PRKDC,SIK2,SIK3,STK33,SYK,TEK,TGFBR1,TTK | 48 | |||
| kinase-selectivity-class | AKT1,AKT2,AKT3,AXL,EIF2AK3,GRK2,PDK4,PRKACA,PRKCD | 9 | |||
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 | |||
| pld-class | Phospholipidosis risk class (1 = positive, 0 = negative) | 1 | High | 1 |
| Date | Agency | Company | Orphan |
|---|---|---|---|
| None | FDA | PARKE DAVIS |
None
None
None
None
| Source | Code | Description |
|---|---|---|
| MeSH PA | D013566 | Sympathomimetics |
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Obesity | indication | 414916001 | DOID:9970 |
| Heart valve disorder | contraindication | 368009 | DOID:4079 |
| Alcoholism | contraindication | 7200002 | |
| Glaucoma | contraindication | 23986001 | DOID:1686 |
| Feeling agitated | contraindication | 24199005 | |
| Hyperthyroidism | contraindication | 34486009 | DOID:7998 |
| Hypertensive disorder | contraindication | 38341003 | DOID:10763 |
| Mild pre-eclampsia | contraindication | 41114007 | |
| Conduction disorder of the heart | contraindication | 44808001 | |
| Diabetes mellitus type 1 | contraindication | 46635009 | DOID:9744 |
| Disorder of cardiovascular system | contraindication | 49601007 | DOID:1287 |
| Substance abuse | contraindication | 66214007 | |
| Psychotic disorder | contraindication | 69322001 | |
| Pulmonary hypertension | contraindication | 70995007 | DOID:6432 |
| Secondary glaucoma | contraindication | 95717004 | |
| Angina pectoris | contraindication | 194828000 | |
| Edema | contraindication | 267038008 | |
| Syncope | contraindication | 271594007 | |
| Arteriosclerosis obliterans | contraindication | 361133006 | DOID:5160 |
| Hypertensive urgency | contraindication | 443482000 |
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 9.92 | Basic |
None
None
| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter | Transporter | SUBSTRATE | Ki | 6.47 | WOMBAT-PK | CHEMBL | |||
| Sodium-dependent dopamine transporter | Transporter | Ki | 5.40 | WOMBAT-PK |
| ID | Source |
|---|---|
| D03476 | KEGG_DRUG |
| 151-06-4 | SECONDARY_CAS_RN |
| 220218 | RXNORM |
| C0008283 | UMLSCUI |
| CHEBI:3646 | CHEBI |
| CHEMBL1201269 | ChEMBL_ID |
| DB01556 | DRUGBANK_ID |
| CHEMBL1200595 | ChEMBL_ID |
| D002745 | MESH_DESCRIPTOR_UI |
| 10007 | PUBCHEM_CID |
| 1055 | INN_ID |
| NHW07912O7 | UNII |
| 13941 | MMSL |
| 001872 | NDDF |
| 004775 | NDDF |
| 9643009 | SNOMEDCT_US |
| NHW07912O7 | INXIGHT DRUGS |
None