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

Stem definitionDrug idCAS RN
derivatives of Rauwolfia alkaloids 1750 865-04-3

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • methoserpidine
  • 10-Methoxydeserpidine
  • decaserpin
  • decaserpine
  • decaserpyl
  • decoserpyl
  • Molecular weight: 608.69
  • Formula: C33H40N2O9
  • CLOGP: 3.96
  • LIPINSKI: 2
  • HAC: 11
  • HDO: 1
  • TPSA: 117.78
  • ALOGS: -4.73
  • ROTB: 10

Drug dosage:

None

ADMET properties:

None

Predicted pharmacokinetic/toxicological properties (PK-AZ):

PropertyDescriptionValueUnitConfidenceSimilarity
azlogd74 LogD at pH 7.4 3.447 High 0.89
caco2-efflux Caco-2 efflux ratio (BA/AB) 0.843 High 0.89
caco2-intrinsic-papp Caco-2 intrinsic apparent permeability 40.087 10^-6 cm/s High 0.89
dh-clint Dog hepatocyte intrinsic clearance 30.130 uL/min/10^6 cells High 0.89
dppb Dog plasma protein binding (% unbound) 2.590 % High 0.89
fcs-ppb Fetal calf serum protein binding (% unbound) 8.880 % High 0.89
herg hERG pIC50 5.022 pIC50 High 0.89
hh-clint Human hepatocyte intrinsic clearance 57.412 uL/min/10^6 cells High 0.89
hlm-clint Human liver microsomal intrinsic clearance 146.893 uL/min/mg protein High 0.89
hppb Human plasma protein binding (% unbound) 2.850 % High 0.89
kinase-safety-class ACVR2B,AKT2,AKT3,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK5,CDK9,EIF2AK3,EPHB4,ERBB2,GRK2,ITK,JAK2,JAK3,MAP3K7,MAPK10,MAPK7,MAPKAPK2,MET,NTRK2,PDK1,PDK2,PDK4,PDPK1,PIK3CA,PIK3CB,PIM2,PRKDC,STK33,TEK,TGFBR1,ZAP70 35
kinase-selectivity-class AXL,GRK2 2
mdck-mdr1-efflux MDCK-MDR1 efflux ratio 1.611 High 0.89
mh-clint Mouse hepatocyte intrinsic clearance 152.405 High 0.89
mppb Mouse plasma protein binding (% unbound) 3.850 High 0.89
nih-mdck-mdr1-efflux NIH MDCK-MDR1 efflux ratio 6.295 High 0.89
pfas-class PFAS structural alert (1 = True, 0 = False) 0
pppb Pig plasma protein binding (% unbound) 7.520 % High 0.89
rh-clint Rat hepatocyte intrinsic clearance 175.388 uL/min/10^6 cells High 0.89
rh-fuinc Rat hepatocyte fraction unbound in incubation 25.920 % High 0.89
rppb Rat plasma protein binding (% unbound) 2.580 % High 0.89
solubility-dd Solubility at pH 7.4 in DMSO 4.529 uM High 0.89

Approvals:

None

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
ATC C02AA06 CARDIOVASCULAR SYSTEM
ANTIHYPERTENSIVES
ANTIADRENERGIC AGENTS, CENTRALLY ACTING
Rauwolfia alkaloids
ATC C02LA04 CARDIOVASCULAR SYSTEM
ANTIHYPERTENSIVES
ANTIHYPERTENSIVES AND DIURETICS IN COMBINATION
Rauwolfia alkaloids and diuretics in combination
CHEBI has role CHEBI:35674 antihypertensive agent

Related Drugs by ATC class:

C02AA Rauwolfia alkaloids 4 drugs
bietaserpinedeserpidinerescinnaminereserpine
C02LA Rauwolfia alkaloids and diuretics in combination 5 drugs
bietaserpinedeserpidinerescinnaminereserpinesyrosingopine

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

None




🐶 Veterinary Drug Use

None

🐶 Veterinary products

None

Acid dissociation constants calculated using MoKa v3.0.0

Dissociation levelDissociation constantType (acidic/basic)
pKa1 11.06 acidic
pKa2 6.78 Basic

Orange Book patent data (new drug applications)

None

Orange Book exclusivity data (new drug applications)

None

Bioactivity Summary:

None

External reference:

IDSource
D07166 KEGG_DRUG
C0771017 UMLSCUI
CHEBI:135848 CHEBI
CHEMBL3989541 ChEMBL_ID
DB13631 DRUGBANK_ID
1081 INN_ID
8F8C1JQH53 UNII
71798 PUBCHEM_CID
235829 RXNORM
004005 NDDF

Pharmaceutical products:

None