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

Stem definitionDrug idCAS RN
ergot alkaloid derivatives 3184 25447-65-8

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • dihydroergocornine
  • 9,10-Dihydroergocornine
  • dihydroergocornine mesylate
  • dihydroergocornine mesilate
A 9,10alpha-dihydro derivative of ERGOTAMINE that contains isopropyl sidechains at the 2' and 5' positions of the molecule.
  • Molecular weight: 563.70
  • Formula: C31H41N5O5
  • CLOGP: 5.07
  • LIPINSKI: 2
  • HAC: 10
  • HDO: 3
  • TPSA: 118.21
  • ALOGS: -3.15
  • ROTB: 4

Drug dosage:

None

ADMET properties:

None

Predicted pharmacokinetic/toxicological properties (PK-AZ):

PropertyDescriptionValueUnitConfidenceSimilarity
azlogd74 LogD at pH 7.4 2.385 High 0.81
caco2-efflux Caco-2 efflux ratio (BA/AB) 14.859 High 0.81
caco2-intrinsic-papp Caco-2 intrinsic apparent permeability 4.236 10^-6 cm/s High 0.81
dh-clint Dog hepatocyte intrinsic clearance 4.426 uL/min/10^6 cells High 0.81
dppb Dog plasma protein binding (% unbound) 16.860 % High 0.81
fcs-ppb Fetal calf serum protein binding (% unbound) 27.320 % High 0.81
herg hERG pIC50 4.645 pIC50 High 0.81
hh-clint Human hepatocyte intrinsic clearance 2.032 uL/min/10^6 cells High 0.81
hlm-clint Human liver microsomal intrinsic clearance 19.409 uL/min/mg protein High 0.81
hppb Human plasma protein binding (% unbound) 21.280 % High 0.81
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 19.099 High 0.81
mh-clint Mouse hepatocyte intrinsic clearance 22.182 High 0.81
mppb Mouse plasma protein binding (% unbound) 13.680 High 0.81
nih-mdck-mdr1-efflux NIH MDCK-MDR1 efflux ratio 60.954 High 0.81
pfas-class PFAS structural alert (1 = True, 0 = False) 0
pppb Pig plasma protein binding (% unbound) 22.990 % High 0.81
rh-clint Rat hepatocyte intrinsic clearance 14.191 uL/min/10^6 cells High 0.81
rh-fuinc Rat hepatocyte fraction unbound in incubation 54.590 % High 0.81
rppb Rat plasma protein binding (% unbound) 15.880 % High 0.81
solubility-dd Solubility at pH 7.4 in DMSO 691.831 uM High 0.81

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
MeSH PA D015259 Dopamine Agents
MeSH PA D018377 Neurotransmitter Agents
MeSH PA D018491 Dopamine Agonists

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

DiseaseRelationSNOMED_IDDOID
Dementia indication 52448006




🐶 Veterinary Drug Use

None

🐶 Veterinary products

None

Acid dissociation constants calculated using MoKa v3.0.0

Dissociation levelDissociation constantType (acidic/basic)
pKa1 12.64 acidic
pKa2 13.29 acidic
pKa3 13.84 acidic
pKa4 7.56 Basic

Orange Book patent data (new drug applications)

None

Orange Book exclusivity data (new drug applications)

None

Bioactivity Summary:

None

External reference:

IDSource
4017833 VUID
N0000146191 NUI
29261-94-7 SECONDARY_CAS_RN
4017833 VANDF
4020122 VANDF
C0012288 UMLSCUI
D025441 MESH_DESCRIPTOR_UI
DB11273 DRUGBANK_ID
IK4C1OC8NE UNII
168871 PUBCHEM_CID
3415 RXNORM
19918001 SNOMEDCT_US
426681002 SNOMEDCT_US
CHEBI:59909 CHEBI
IK4C1OC8NE INXIGHT DRUGS

Pharmaceutical products:

ProductCategoryIngredientsNDCFormQuantityRouteMarketingLabel
Ergoloid Mesylates HUMAN PRESCRIPTION DRUG LABEL 4 68151-2780 TABLET 0.33 mg ORAL ANDA 10 sections