| Stem definition | Drug id | CAS RN |
|---|---|---|
| N-methylated xanthine derivatives | 959 | 69975-86-6 |
| Molecule | Description |
|---|---|
|
Synonyms:
|
|
| Dose | Unit | Route |
|---|---|---|
| 0.80 | g | O |
| 0.80 | g | P |
| Property | Value | Reference |
|---|---|---|
| BA (Bioavailability) | 63 % | |
| Vd (Volume of distribution) | 1.03 L/kg | Lombardo F, Berellini G, Obach RS |
| CL (Clearance) | 6.83 mL/min/kg | Lombardo F, Berellini G, Obach RS |
| t_half (Half-life) | 1.66 hours | Lombardo F, Berellini G, Obach RS |
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| kinase-safety-class | ACVR2A,ACVR2B,AXL,BRAF,CAMK2D,CDK5,CDK9,DDR1,DYRK1B,EIF2AK3,ERBB2,GRK2,ITK,MAP3K21,MAPK7,NTRK2,PDK1,PDK2,PIK3CD,PRKDC,SIK2,TEK | 22 | |||
| kinase-selectivity-class | GRK2,PRKDC | 2 | |||
| 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 |
|---|---|---|---|---|---|---|
| Pneumonia | 59.16 | 37.28 | 48 | 560 | 422101 | 42198626 |
| 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 |
|---|---|---|---|---|---|---|
| Pneumonia | 81.98 | 39.27 | 61 | 788 | 876653 | 109711797 |
None
| Source | Code | Description |
|---|---|---|
| ATC | R03DA11 | RESPIRATORY SYSTEM DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES OTHER SYSTEMIC DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES Xanthines |
| MeSH PA | D000996 | Antitussive Agents |
| MeSH PA | D001993 | Bronchodilator Agents |
| MeSH PA | D002491 | Central Nervous System Agents |
| MeSH PA | D004791 | Enzyme Inhibitors |
| MeSH PA | D010726 | Phosphodiesterase Inhibitors |
| MeSH PA | D018373 | Peripheral Nervous System Agents |
| MeSH PA | D018927 | Anti-Asthmatic Agents |
| MeSH PA | D019141 | Respiratory System Agents |
| CHEBI has role | CHEBI:35523 | bronchodilator agent |
| CHEBI has role | CHEBI:49167 | anti-asthmatic drug |
| CHEBI has role | CHEBI:51177 | antitussive |
| CHEBI has role | CHEBI:65023 | anti-asthmatic agent |
None
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 0.36 | Basic |
None
None
None
| ID | Source |
|---|---|
| D03898 | KEGG_DRUG |
| C0058721 | UMLSCUI |
| CHEBI:94714 | CHEBI |
| 7UH | PDB_CHEM_ID |
| CHEMBL1527608 | ChEMBL_ID |
| DB09273 | DRUGBANK_ID |
| C029797 | MESH_SUPPLEMENTAL_RECORD_UI |
| 50942 | PUBCHEM_CID |
| 5156 | INN_ID |
| MPM23GMO7Z | UNII |
| 010905 | NDDF |
| 1173992002 | SNOMEDCT_US |
| 1177091008 | SNOMEDCT_US |
| MPM23GMO7Z | INXIGHT DRUGS |
None