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

Stem definitionDrug idCAS RN
ergot alkaloid derivatives 4420 25447-66-9

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • Dihydro-.alpha.-ergocryptine
  • Dihydro-.alpha.-ergocryptine mesylate
  • dihydroergocryptine mesylate
  • dihydroergocryptine
  • dihydroergocriptine
  • Dihydro-.alpha.-ergocryptine mesilate
  • dihydroergocryptine mesilate
A 9,10alpha-dihydro derivative of ERGOTAMINE that contains an isopropyl sidechain at the 2' position and an alpha-isobutyl sidechain at 5'alpha position of the molecule.
  • Molecular weight: 577.73
  • Formula: C32H43N5O5
  • CLOGP: 5.60
  • LIPINSKI: 2
  • HAC: 10
  • HDO: 3
  • TPSA: 118.21
  • ALOGS: -3.34
  • ROTB: 5

Drug dosage:

None

ADMET properties:

None

Predicted pharmacokinetic/toxicological properties (PK-AZ):

PropertyDescriptionValueUnitConfidenceSimilarity
azlogd74 LogD at pH 7.4 2.952 High 0.86
caco2-efflux Caco-2 efflux ratio (BA/AB) 13.152 High 0.86
caco2-intrinsic-papp Caco-2 intrinsic apparent permeability 7.762 10^-6 cm/s High 0.86
dh-clint Dog hepatocyte intrinsic clearance 6.871 uL/min/10^6 cells High 0.86
dppb Dog plasma protein binding (% unbound) 12.010 % High 0.86
fcs-ppb Fetal calf serum protein binding (% unbound) 23.770 % High 0.86
herg hERG pIC50 4.761 pIC50 High 0.86
hh-clint Human hepatocyte intrinsic clearance 4.140 uL/min/10^6 cells High 0.86
hlm-clint Human liver microsomal intrinsic clearance 33.343 uL/min/mg protein High 0.86
hppb Human plasma protein binding (% unbound) 14.830 % High 0.86
kinase-safety-class ACVR2B,CAMK2D,CDK5,EIF2AK3,GRK2,ITK,MAPK10,PDK1,PDK2,PDK4,PRKDC 11
kinase-selectivity-class PDK1 1
mdck-mdr1-efflux MDCK-MDR1 efflux ratio 25.645 High 0.86
mh-clint Mouse hepatocyte intrinsic clearance 32.584 High 0.86
mppb Mouse plasma protein binding (% unbound) 8.200 High 0.86
nih-mdck-mdr1-efflux NIH MDCK-MDR1 efflux ratio 67.143 High 0.86
pfas-class PFAS structural alert (1 = True, 0 = False) 0
pppb Pig plasma protein binding (% unbound) 16.440 % High 0.86
rh-clint Rat hepatocyte intrinsic clearance 24.831 uL/min/10^6 cells High 0.86
rh-fuinc Rat hepatocyte fraction unbound in incubation 48.220 % High 0.86
rppb Rat plasma protein binding (% unbound) 9.640 % High 0.86
solubility-dd Solubility at pH 7.4 in DMSO 594.292 uM High 0.86

Approvals:

DateAgencyCompanyOrphan
None 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:

SourceCodeDescription
ATC N04BC03 NERVOUS SYSTEM
ANTI-PARKINSON DRUGS
DOPAMINERGIC AGENTS
Dopamine agonists
MeSH PA D002317 Cardiovascular Agents
MeSH PA D014665 Vasodilator Agents
MeSH PA D015259 Dopamine Agents
MeSH PA D018377 Neurotransmitter Agents
MeSH PA D018491 Dopamine Agonists
CHEBI has role CHEBI:48407 antiparkinson drug

Related Drugs by ATC class:

N04BC Dopamine agonists 8 drugs
apomorphinebromocriptinecabergolinepergolidepiribedilpramipexoleropinirolerotigotine

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 12.57 acidic
pKa2 13.18 acidic
pKa3 13.67 acidic
pKa4 7.56 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
5-hydroxytryptamine receptor 2B GPCR AGONIST Ki 7.48 IUPHAR
5-hydroxytryptamine receptor 7 GPCR ANTAGONIST Ki 6.50 IUPHAR
5-hydroxytryptamine receptor 7 GPCR ANTAGONIST Ki 7 IUPHAR

External reference:

IDSource
D07835 KEGG_DRUG
14271-05-7 SECONDARY_CAS_RN
4017832 VANDF
4020124 VANDF
C0012290 UMLSCUI
CHEMBL1743263 ChEMBL_ID
CHEMBL3707289 ChEMBL_ID
DB13385 DRUGBANK_ID
282 IUPHAR_LIGAND_ID
67V3FSL2GL UNII
114948 PUBCHEM_CID
1426902 RXNORM
005801 NDDF
005802 NDDF
24650007 SNOMEDCT_US
412173004 SNOMEDCT_US
426582003 SNOMEDCT_US
708572008 SNOMEDCT_US
D025443 MESH_DESCRIPTOR_UI

Pharmaceutical products:

ProductCategoryIngredientsNDCFormQuantityRouteMarketingLabel
Ergoloid Mesylates HUMAN PRESCRIPTION DRUG LABEL 4 68151-2780 TABLET 0.22 mg ORAL ANDA 10 sections