Stem definition | Drug id | CAS RN |
---|---|---|
spasmolytics with a papaverine-like action | 969 | 14009-24-6 |
Dose | Unit | Route |
---|---|---|
0.10 | g | O |
0.10 | g | P |
Property | Value | Reference |
---|---|---|
MRTD (Maximum Recommended Therapeutic Daily Dose) | 7.90 ยตM/kg/day | Contrera JF, Matthews EJ, Kruhlak NL, Benz RD |
BA (Bioavailability) | 58 % | Kim MT, Sedykh A, Chakravarti SK, Saiakhov RD, Zhu H |
Vd (Volume of distribution) | 1.90 L/kg | Lombardo F, Berellini G, Obach RS |
CL (Clearance) | 3.50 mL/min/kg | Lombardo F, Berellini G, Obach RS |
fu (Fraction unbound in plasma) | 0.12 % | Lombardo F, Berellini G, Obach RS |
t_half (Half-life) | 9.30 hours | Lombardo F, Berellini G, Obach RS |
S (Water solubility) | 13.75 mg/mL | Bocci G, Oprea TI, Benet LZ |
BDDCS (Biopharmaceutical Drug Disposition Classification System) | 1 | Bocci G, Oprea TI, Benet LZ |
None
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 |
---|---|---|---|---|---|---|
Abdominal pain | 46.26 | 41.95 | 32 | 607 | 389537 | 79354212 |
None
Source | Code | Description |
---|---|---|
ATC | A03AD02 | ALIMENTARY TRACT AND METABOLISM DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS Papaverine and derivatives |
MeSH PA | D000700 | Analgesics |
MeSH PA | D002317 | Cardiovascular Agents |
MeSH PA | D002491 | Central Nervous System Agents |
MeSH PA | D010276 | Parasympatholytics |
MeSH PA | D018373 | Peripheral Nervous System Agents |
MeSH PA | D018689 | Sensory System Agents |
MeSH PA | D014665 | Vasodilator Agents |
None
None
None
Dissociation level | Dissociation constant | Type (acidic/basic) |
---|---|---|
pKa1 | 1.16 | Basic |
None
None
Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
---|---|---|---|---|---|---|---|---|---|
cAMP-specific 3',5'-cyclic phosphodiesterase 4B | Enzyme | WOMBAT-PK | |||||||
Voltage-dependent L-type calcium channel subunit alpha-1C | Ion channel | WOMBAT-PK |
ID | Source |
---|---|
D07088 | KEGG_DRUG |
985-12-6 | SECONDARY_CAS_RN |
C0058762 | UMLSCUI |
CHEBI:135630 | CHEBI |
CHEMBL551978 | ChEMBL_ID |
DB06751 | DRUGBANK_ID |
C005317 | MESH_SUPPLEMENTAL_RECORD_UI |
1712095 | PUBCHEM_CID |
2239 | INN_ID |
98QS4N58TW | UNII |
23684 | RXNORM |
007309 | NDDF |
007310 | NDDF |
1173005008 | SNOMEDCT_US |
1173007000 | SNOMEDCT_US |
719933003 | SNOMEDCT_US |
None