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guanabenz 🐶 Veterinary Use | Indications/Contra | FAERs-F | FAERs-M | Orange Bk | PK/Tox | Related Drugs | BioActivity |
| Stem definition | Drug id | CAS RN |
|---|---|---|
| antihypertensives, guanidine derivatives | 3952 | 5051-62-7 |
Description:
| Molecule | Description |
|---|---|
|
Synonyms:
|
An alpha-2 selective adrenergic agonist used as an antihypertensive agent.
Legend: OFP - off patent OFM - off market ONP - on patent |
Drug dosage:
None
ADMET properties:
| Property | Value | Reference |
|---|---|---|
| BDDCS (Biopharmaceutical Drug Disposition Classification System) | 1 | Benet LZ, Broccatelli F, Oprea TI |
| S (Water solubility) | 11 mg/mL | Benet LZ, Broccatelli F, Oprea TI |
| MRTD (Maximum Recommended Therapeutic Daily Dose) | 4.19 µM/kg/day | Contrera JF, Matthews EJ, Kruhlak NL, Benz RD |
| BA (Bioavailability) | 75 % | Kim MT, Sedykh A, Chakravarti SK, Saiakhov RD, Zhu H |
| fu (Fraction unbound in plasma) | 0.10 % | Kawashima H, Watanabe R, Esaki T, Kuroda M, Nagao C, Natsume-Kitatani Y, Ohashi R, Komura H, Mizuguchi K |
Predicted pharmacokinetic/toxicological properties (PK-AZ):
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| azlogd74 | LogD at pH 7.4 | 1.575 | High | 1 | |
| caco2-efflux | Caco-2 efflux ratio (BA/AB) | 0.393 | High | 1 | |
| caco2-intrinsic-papp | Caco-2 intrinsic apparent permeability | 39.174 | 10^-6 cm/s | High | 1 |
| dh-clint | Dog hepatocyte intrinsic clearance | 24.774 | uL/min/10^6 cells | High | 1 |
| dppb | Dog plasma protein binding (% unbound) | 13.950 | % | High | 1 |
| fcs-ppb | Fetal calf serum protein binding (% unbound) | 35.310 | % | High | 1 |
| herg | hERG pIC50 | 5.152 | pIC50 | High | 1 |
| hh-clint | Human hepatocyte intrinsic clearance | 7.943 | uL/min/10^6 cells | High | 1 |
| hlm-clint | Human liver microsomal intrinsic clearance | 9.078 | uL/min/mg protein | High | 1 |
| hppb | Human plasma protein binding (% unbound) | 15.520 | % | High | 1 |
| kinase-safety-class | ACVR2A,ACVR2B,ACVRL1,AKT1,AKT2,AKT3,ALK,AURKA,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK1,CDK4,CDK5,CDK9,CHEK1,CSF1R,DDR1,DYRK1B,EIF2AK3,EPHA2,EPHB4,ERBB2,FLT3,GRK2,GSK3B,ITK,JAK1,JAK2,KIT,MAP2K6,MAP3K21,MAP3K7,MAP4K1,MAP4K3,MAPK10,MAPK12,MAPK7,MAPK9,MAPKAPK2,MARK4,MELK,MET,MTOR,NTRK2,PAK4,PDK1,PDK2,PDK4,PDPK1,PIK3CB,PIK3CD,PIM2,PLK1,PRKCD,PRKDC,SGK1,SIK2,SIK3,STK33,SYK,TEK,TGFBR1,TTK,ULK1,ULK2,ZAP70 | 69 | |||
| kinase-selectivity-class | ACVR2A,ACVR2B,AURKC,AXL,BRAF,CDK9,CSF1R,CSK,DDR1,EIF2AK3,EPHB4,ERBB2,FYN,GRK2,GSK3A,LYN,MAP3K21,MAPK1,MAPK7,PDK4,PIK3CD,SIK2,SIK3,STK10,STK33,TEK,UHMK1 | 27 | |||
| mdck-mdr1-efflux | MDCK-MDR1 efflux ratio | 1.919 | High | 1 | |
| mh-clint | Mouse hepatocyte intrinsic clearance | 120.781 | High | 1 | |
| mppb | Mouse plasma protein binding (% unbound) | 18.120 | High | 1 | |
| nih-mdck-mdr1-efflux | NIH MDCK-MDR1 efflux ratio | 1.897 | High | 1 | |
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 | |||
| pppb | Pig plasma protein binding (% unbound) | 19.560 | % | High | 1 |
| rh-clint | Rat hepatocyte intrinsic clearance | 151.705 | uL/min/10^6 cells | High | 1 |
| rh-fuinc | Rat hepatocyte fraction unbound in incubation | 65.270 | % | High | 1 |
| rppb | Rat plasma protein binding (% unbound) | 21.440 | % | High | 1 |
| solubility-dd | Solubility at pH 7.4 in DMSO | 598.412 | uM | High | 1 |
Approvals:
| Date | Agency | Company | Orphan |
|---|---|---|---|
| Sept. 7, 1982 | FDA |
FDA Adverse Event Reporting System (Female)
None
FDA Adverse Event Reporting System (Male)
None
FDA Adverse Event Reporting System (Geriatric)
None
FDA Adverse Event Reporting System (Pediatric)
None
Pharmacologic Action:
| Source | Code | Description |
|---|---|---|
| FDA MoA | N0000009918 | Adrenergic alpha2-Agonists |
| FDA EPC | N0000175554 | Central alpha-2 Adrenergic Agonist |
| MeSH PA | D000316 | Adrenergic alpha-Agonists |
| MeSH PA | D000959 | Antihypertensive Agents |
| MeSH PA | D002317 | Cardiovascular Agents |
| MeSH PA | D018377 | Neurotransmitter Agents |
| MeSH PA | D018663 | Adrenergic Agents |
| MeSH PA | D058647 | Adrenergic alpha-2 Receptor Agonists |
| CHEBI has role | CHEBI:35705 | immunosuppressive agent |
| CHEBI has role | CHEBI:176497 | geroprotector |
Drug Use | Suggest Off label Use Form| |View source of the data|
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Hypertensive disorder | indication | 38341003 | DOID:10763 |
| Orthostatic hypotension | contraindication | 28651003 | |
| Coronary arteriosclerosis | contraindication | 53741008 | DOID:3393 |
| Cerebrovascular disease | contraindication | 62914000 | DOID:6713 |
| Kidney disease | contraindication | 90708001 | DOID:557 |
| Liver function tests abnormal | contraindication | 166603001 | |
| Disease of liver | contraindication | 235856003 | DOID:409 |
| Myocardial infarction in recovery phase | contraindication | 418044006 | |
| Central nervous system depression | contraindication | 418072004 |
🐶 Veterinary Drug Use
None
🐶 Veterinary products
None
Acid dissociation constants calculated using MoKa v3.0.0
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 8.84 | Basic |
| pKa2 | 0.0 | Basic |
Orange Book patent data (new drug applications)
None
Orange Book exclusivity data (new drug applications)
None
Bioactivity Summary:
| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Alpha-2B adrenergic receptor | GPCR | AGONIST | Ki | 7.17 | DRUG MATRIX | CHEMBL | |||
| Alpha-2C adrenergic receptor | GPCR | AGONIST | Ki | 6.79 | DRUG MATRIX | CHEMBL | |||
| Alpha-2A adrenergic receptor | GPCR | AGONIST | Ki | 7.82 | DRUG MATRIX | CHEMBL | |||
| 5-hydroxytryptamine receptor 2B | GPCR | Ki | 7.21 | DRUG MATRIX | |||||
| 5-hydroxytryptamine receptor 2C | GPCR | Ki | 6.97 | DRUG MATRIX | |||||
| Alpha-1D adrenergic receptor | GPCR | Ki | 6.80 | DRUG MATRIX | |||||
| Amine oxidase [flavin-containing] A | Enzyme | IC50 | 5.75 | DRUG MATRIX | |||||
| Trace amine-associated receptor 1 | GPCR | EC50 | 7.05 | CHEMBL | |||||
| Nischarin | Membrane receptor | Ki | 7.46 | CHEMBL | |||||
| Solute carrier family 22 member 1 | Transporter | IC50 | 5.31 | CHEMBL | |||||
| 5-hydroxytryptamine receptor 1A | GPCR | Ki | 5.93 | DRUG MATRIX | |||||
| 5-hydroxytryptamine receptor 2A | GPCR | Ki | 6.95 | DRUG MATRIX | |||||
| Alpha-1B adrenergic receptor | GPCR | Ki | 6.12 | DRUG MATRIX | |||||
| Alpha-1A adrenergic receptor | GPCR | IC50 | 6.41 | CHEMBL | |||||
| 5-hydroxytryptamine receptor 1A | GPCR | IC50 | 5.68 | CHEMBL | |||||
| Adrenergic receptor alpha-2 | GPCR | IC50 | 8.77 | CHEMBL |
External reference:
| ID | Source |
|---|---|
| 4019768 | VUID |
| N0000147859 | NUI |
| D00605 | KEGG_DRUG |
| 23256-50-0 | SECONDARY_CAS_RN |
| 4018026 | VANDF |
| 4019768 | VANDF |
| C0018312 | UMLSCUI |
| CHEBI:5553 | CHEBI |
| CHEMBL420 | ChEMBL_ID |
| DB00629 | DRUGBANK_ID |
| CHEMBL1200560 | ChEMBL_ID |
| D006143 | MESH_DESCRIPTOR_UI |
| 5702063 | PUBCHEM_CID |
| 5443 | IUPHAR_LIGAND_ID |
| 3108 | INN_ID |
| GGD30112WC | UNII |
| 227225 | RXNORM |
| 4806 | MMSL |
| 485 | MMSL |
| d00130 | MMSL |
| 000645 | NDDF |
| 004496 | NDDF |
| 372867002 | SNOMEDCT_US |
| 77764008 | SNOMEDCT_US |
| 82951001 | SNOMEDCT_US |
Pharmaceutical products:
None