methyldopate 🐶 Veterinary Use | Indications/Contra | FAERs-F | FAERs-M | Orange Bk | PK/Tox | Related Drugs | BioActivity |

Stem definitionDrug idCAS RN
4218 6014-30-8

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • methyldopate
  • methyldopate hydrochloride
  • Methyl-L-dopa ethyl ester
  • alpha-Methyldopa ethyl ester
  • methyldopate HCl
  • Molecular weight: 239.27
  • Formula: C12H17NO4
  • CLOGP: 0.55
  • LIPINSKI: 0
  • HAC: 5
  • HDO: 3
  • TPSA: 92.78
  • ALOGS: -2.31
  • ROTB: 5
  • Status: OFM
    • Legend:
    OFP - off patent
    OFM - off market
    ONP - on patent

Drug dosage:

None

ADMET properties:

None

Predicted pharmacokinetic/toxicological properties (PK-AZ):

PropertyDescriptionValueUnitConfidenceSimilarity
kinase-safety-class ACVR2A,ACVR2B,ACVRL1,AKT2,AKT3,ALK,AURKA,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK2,CDK4,CDK5,CDK9,DDR1,DYRK1B,EGFR,EIF2AK3,EPHB4,ERBB2,FLT1,FLT3,GRK2,GRK3,GSK3B,IGF1R,ITK,JAK1,JAK2,JAK3,KDR,KIT,MAP2K6,MAP3K14,MAP3K21,MAP3K7,MAP4K1,MAPK1,MAPK10,MAPK12,MAPK14,MAPK7,MAPK8,MAPK9,MAPKAPK2,MARK4,MTOR,NTRK2,PDK1,PDK2,PDK4,PDPK1,PIK3CB,PIM2,PLK1,PLK2,PLK3,PLK4,PRKCD,PRKDC,PTK2,SIK2,SIK3,STK33,SYK,TEK,TGFBR1,TTK,ULK1,ZAP70 72
kinase-selectivity-class ACVR2B,AXL,BMX,BRAF,CDK9,DDR1,EIF2AK3,EPHB4,GRK2,JAK2,MAP2K6,MAPK8,PRKDC,STK33,SYK,TEK,TGFBR1 17
pfas-class PFAS structural alert (1 = True, 0 = False) 0
pld-class Phospholipidosis risk class (1 = positive, 0 = negative) 0 Moderate 0.69

Approvals:

DateAgencyCompanyOrphan
Dec. 20, 1962 FDA MERCK

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:

SourceCodeDescription
MeSH PA D000316 Adrenergic alpha-Agonists
MeSH PA D000959 Antihypertensive Agents
MeSH PA D002317 Cardiovascular Agents
MeSH PA D013565 Sympatholytics
MeSH PA D018377 Neurotransmitter Agents
MeSH PA D018663 Adrenergic Agents
MeSH PA D058647 Adrenergic alpha-2 Receptor Agonists
CHEBI has role CHEBI:35569 alpha-adrenergic agonists
CHEBI has role CHEBI:35674 antihypertensive drugs

Drug Use | Suggest Off label Use Form| |View source of the data|

DiseaseRelationSNOMED_IDDOID
Hypertensive disorder indication 38341003 DOID:10763
Cirrhosis of liver contraindication 19943007 DOID:5082
Parkinsonism contraindication 32798002
Depressive disorder contraindication 35489007
Acute hepatitis contraindication 37871000
Chronic heart failure contraindication 48447003
Hepatic failure contraindication 59927004
Kidney disease contraindication 90708001 DOID:557
Angina pectoris contraindication 194828000
Disease of liver contraindication 235856003 DOID:409
Edema contraindication 267038008
Anemia contraindication 271737000 DOID:2355
Pheochromocytoma contraindication 302835009
Autoimmune hemolytic anemia contraindication 413603009 DOID:718
Porphyria contraindication 418470004
Severe Cerebrovascular Disease contraindication




🐶 Veterinary Drug Use

None

🐶 Veterinary products

None

Acid dissociation constants calculated using MoKa v3.0.0

Dissociation levelDissociation constantType (acidic/basic)
pKa1 9.7 acidic
pKa2 12.7 acidic
pKa3 7.13 Basic

Orange Book patent data (new drug applications)

None

Orange Book exclusivity data (new drug applications)

None

Bioactivity Summary:

TargetClassPharosUniProtActionTypeActivity value
(-log[M])		Mechanism
action		Bioact sourceMoA source
Adrenergic receptor alpha-2 GPCR AGONIST CHEMBL CHEMBL

External reference:

IDSource
4022151 VUID
N0000020157 NUI
D04997 KEGG_DRUG
2508-79-4 SECONDARY_CAS_RN
4017963 VANDF
4022151 VANDF
C0025744 UMLSCUI
CHEMBL1201233 ChEMBL_ID
CHEMBL1200432 ChEMBL_ID
D008750 MESH_DESCRIPTOR_UI
2579Z4P04J UNII
17277 PUBCHEM_CID
6877 RXNORM
5089 MMSL
7929 MMSL
000647 NDDF
005167 NDDF
21566004 SNOMEDCT_US
782181004 SNOMEDCT_US
CHEBI:749243 CHEBI
2579Z4P04J INXIGHT DRUGS

Pharmaceutical products:

None