Stem definition | Drug id | CAS RN |
---|---|---|
sympathomimetics | 2390 | 26652-09-5 |
Dose | Unit | Route |
---|---|---|
40 | mg | O |
40 | mg | P |
Property | Value | Reference |
---|---|---|
BDDCS (Biopharmaceutical Drug Disposition Classification System) | 1 | Bocci G, Oprea TI, Benet LZ |
EoM (Fraction excreted unchanged in urine) | 10 % | Benet LZ, Broccatelli F, Oprea TI |
MRTD (Maximum Recommended Therapeutic Daily Dose) | 5.97 ยตM/kg/day | Contrera JF, Matthews EJ, Kruhlak NL, Benz RD |
BA (Bioavailability) | 30 % | Kim MT, Sedykh A, Chakravarti SK, Saiakhov RD, Zhu H |
Vd (Volume of distribution) | 4.40 L/kg | Lombardo F, Berellini G, Obach RS |
CL (Clearance) | 31 mL/min/kg | Lombardo F, Berellini G, Obach RS |
fu (Fraction unbound in plasma) | 0.64 % | Lombardo F, Berellini G, Obach RS |
t_half (Half-life) | 2.60 hours | Lombardo F, Berellini G, Obach RS |
S (Water solubility) | 65 mg/mL | Bocci G, Oprea TI, Benet LZ |
Date | Agency | Company | Orphan |
---|---|---|---|
Jan. 22, 1991 | FDA | HOSPIRA |
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 |
---|---|---|---|---|---|---|
Exposure during pregnancy | 193.41 | 179.07 | 62 | 387 | 155485 | 63333088 |
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 |
---|---|---|---|---|---|---|
Exposure during pregnancy | 206.06 | 174.14 | 52 | 263 | 101080 | 79642993 |
Maternal exposure during pregnancy | 185.84 | 174.14 | 51 | 264 | 136487 | 79607586 |
None
Source | Code | Description |
---|---|---|
ATC | G02CA01 | GENITO URINARY SYSTEM AND SEX HORMONES OTHER GYNECOLOGICALS OTHER GYNECOLOGICALS Sympathomimetics, labour repressants |
MeSH PA | D018663 | Adrenergic Agents |
MeSH PA | D000322 | Adrenergic Agonists |
MeSH PA | D058666 | Adrenergic beta-2 Receptor Agonists |
MeSH PA | D000318 | Adrenergic beta-Agonists |
MeSH PA | D018377 | Neurotransmitter Agents |
MeSH PA | D018373 | Peripheral Nervous System Agents |
MeSH PA | D012102 | Reproductive Control Agents |
MeSH PA | D013566 | Sympathomimetics |
MeSH PA | D015149 | Tocolytic Agents |
Disease | Relation | SNOMED_ID | DOID |
---|---|---|---|
Premature labor | indication | 6383007 | |
Chorioamnionitis | contraindication | 11612004 | |
Gestational diabetes mellitus | contraindication | 11687002 | DOID:11714 |
Hypovolemia | contraindication | 28560003 | |
Dehydration | contraindication | 34095006 | |
Hyperthyroidism | contraindication | 34486009 | DOID:7998 |
Antepartum hemorrhage | contraindication | 34842007 | |
Migraine | contraindication | 37796009 | DOID:6364 |
Hypertensive disorder | contraindication | 38341003 | DOID:10763 |
Mild pre-eclampsia | contraindication | 41114007 | |
Conduction disorder of the heart | contraindication | 44808001 | |
Severe pre-eclampsia | contraindication | 46764007 | |
Pulmonary hypertension | contraindication | 70995007 | DOID:6432 |
Eclampsia in pregnancy | contraindication | 198992004 | |
Fetal death | contraindication | 276507005 | |
Hypertensive urgency | contraindication | 443482000 |
None
None
Dissociation level | Dissociation constant | Type (acidic/basic) |
---|---|---|
pKa1 | 10.35 | acidic |
pKa2 | 11.01 | acidic |
pKa3 | 8.82 | Basic |
None
None
Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
---|---|---|---|---|---|---|---|---|---|
Beta-2 adrenergic receptor | GPCR | AGONIST | EC50 | 7.62 | WOMBAT-PK | CHEMBL | |||
Beta-3 adrenergic receptor | GPCR | EC50 | 6.72 | WOMBAT-PK |
ID | Source |
---|---|
4019928 | VUID |
N0000148013 | NUI |
D01263 | KEGG_DRUG |
4018621 | VANDF |
4019928 | VANDF |
C0035661 | UMLSCUI |
CHEBI:8872 | CHEBI |
CHEMBL785 | ChEMBL_ID |
CHEMBL83063 | ChEMBL_ID |
CHEMBL1367605 | ChEMBL_ID |
CHEMBL1201160 | ChEMBL_ID |
DB00867 | DRUGBANK_ID |
D012312 | MESH_DESCRIPTOR_UI |
33572 | PUBCHEM_CID |
7294 | IUPHAR_LIGAND_ID |
2608 | INN_ID |
23239-51-2 | SECONDARY_CAS_RN |
I0Q6O6740J | UNII |
105470 | RXNORM |
1276 | MMSL |
1407 | MMSL |
5430 | MMSL |
d00603 | MMSL |
001813 | NDDF |
004732 | NDDF |
372893009 | SNOMEDCT_US |
86257005 | SNOMEDCT_US |
89785009 | SNOMEDCT_US |
None