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| Stem definition | Drug id | CAS RN |
|---|---|---|
| 127 | 27469-53-0 |
| Dose | Unit | Route |
|---|---|---|
| 0.10 | g | O |
| Property | Value | Reference |
|---|---|---|
| BA (Bioavailability) | 63 % | Kim MT, Sedykh A, Chakravarti SK, Saiakhov RD, Zhu H |
| Vd (Volume of distribution) | 35.37 L/kg | Lombardo F, Berellini G, Obach RS |
| CL (Clearance) | 0.97 mL/min/kg | Lombardo F, Berellini G, Obach RS |
| fu (Fraction unbound in plasma) | 0.01 % | Lombardo F, Berellini G, Obach RS |
| t_half (Half-life) | 1344 hours | Lombardo F, Berellini G, Obach RS |
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| kinase-safety-class | ACVR2A,ACVR2B,ACVRL1,AKT1,AKT2,AKT3,ALK,AURKA,AURKB,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK1,CDK16,CDK19,CDK2,CDK5,CDK7,CDK9,CHEK1,CSF1R,DDR1,DYRK1B,EGFR,EIF2AK3,EPHA2,EPHB4,ERBB2,FLT3,GRK1,GRK2,GSK3B,INSR,ITK,JAK1,JAK2,JAK3,KIT,MAP3K1,MAP3K21,MAP3K7,MAP4K1,MAP4K3,MAPK1,MAPK10,MAPK12,MAPK7,MAPK9,MAPKAPK2,MARK4,MELK,MET,MTOR,NTRK2,PAK4,PDK1,PDK2,PDK4,PDPK1,PIK3CB,PIK3CD,PIK3CG,PIM2,PRKCD,PRKDC,SGK1,SIK2,SIK3,STK33,SYK,TEK,TTK,ULK1,ZAP70 | 76 | |||
| kinase-selectivity-class | AXL,GRK2,TEK | 3 | |||
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 |
None
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 |
|---|---|---|---|---|---|---|
| Lichenoid keratosis | 82.28 | 75.80 | 10 | 6 | 3940 | 42617379 |
| 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 |
|---|---|---|---|---|---|---|
| Lichenoid keratosis | 87.14 | 73.60 | 10 | 6 | 6292 | 110582991 |
None
| Source | Code | Description |
|---|---|---|
| ATC | R07AB07 | RESPIRATORY SYSTEM OTHER RESPIRATORY SYSTEM PRODUCTS OTHER RESPIRATORY SYSTEM PRODUCTS Respiratory stimulants |
| MeSH PA | D002491 | Central Nervous System Agents |
| MeSH PA | D018696 | Neuroprotective Agents |
| MeSH PA | D020011 | Protective Agents |
| MeSH PA | D019141 | Respiratory System Agents |
| CHEBI has role | CHEBI:22587 | antiviral agent |
| CHEBI has role | CHEBI:35337 | central nervous system stimulant |
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Chronic obstructive lung disease | indication | 13645005 | DOID:3083 |
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 6.0 | Basic |
| pKa2 | 5.57 | Basic |
| pKa3 | 3.77 | Basic |
| pKa4 | 1.34 | Basic |
None
None
None
| ID | Source |
|---|---|
| N0000167166 | NUI |
| D02822 | KEGG_DRUG |
| 528 | RXNORM |
| C0002164 | UMLSCUI |
| CHEBI:53778 | CHEBI |
| CHEMBL1183717 | ChEMBL_ID |
| CHEMBL3181957 | ChEMBL_ID |
| D015765 | MESH_DESCRIPTOR_UI |
| DB01430 | DRUGBANK_ID |
| 4123 | INN_ID |
| 29608-49-9 | SECONDARY_CAS_RN |
| 9A1222NBG4 | UNII |
| 33887 | PUBCHEM_CID |
| C037558 | MESH_SUPPLEMENTAL_RECORD_UI |
| 003689 | NDDF |
| 003690 | NDDF |
| 418600009 | SNOMEDCT_US |
| 734458006 | SNOMEDCT_US |
None