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

Stem definitionDrug idCAS RN
2955 69-25-0

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • eledoisin
  • eledone peptide
  • ELD 950
  • ELD-950
  • eledoisin trifluoroacetate
A peptide extracted from the posterior salivary glands of certain small octopi (Eledone spp., Mollusca), or obtained by synthesis. Its actions resemble those of SUBSTANCE P; it is a potent vasodilator and increases capillary permeability. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1364)
  • Molecular weight: 1188.41
  • Formula: C54H85N13O15S
  • CLOGP: -6.92
  • LIPINSKI: 3
  • HAC: 28
  • HDO: 14
  • TPSA: 437.95
  • ALOGS: -4.80
  • ROTB: 36

Drug dosage:

None

ADMET properties:

None

Predicted pharmacokinetic/toxicological properties (PK-AZ):

PropertyDescriptionValueUnitConfidenceSimilarity
azlogd74 LogD at pH 7.4 -1.450 High 1
caco2-efflux Caco-2 efflux ratio (BA/AB) 3.715 High 1
caco2-intrinsic-papp Caco-2 intrinsic apparent permeability 0.247 10^-6 cm/s High 1
dh-clint Dog hepatocyte intrinsic clearance 1.343 uL/min/10^6 cells High 1
dppb Dog plasma protein binding (% unbound) 72.910 % High 1
fcs-ppb Fetal calf serum protein binding (% unbound) 51.150 % High 1
herg hERG pIC50 4.436 pIC50 High 1
hh-clint Human hepatocyte intrinsic clearance 11.015 uL/min/10^6 cells High 1
hlm-clint Human liver microsomal intrinsic clearance 6.039 uL/min/mg protein High 1
hppb Human plasma protein binding (% unbound) 59.440 % High 1
kinase-safety-class ACVR2B,AXL,BRAF,BTK,CAMK2D,CDK5,CDK9,EIF2AK3,ERBB2,GRK2,ITK,MAPK7,NTRK2,PDK1,PDK2,PDK4,PRKDC,TEK,TGFBR1,ZAP70 20
kinase-selectivity-class PDK1 1
mdck-mdr1-efflux MDCK-MDR1 efflux ratio 1.663 High 1
mh-clint Mouse hepatocyte intrinsic clearance 22.751 High 1
mppb Mouse plasma protein binding (% unbound) 48.270 High 1
nih-mdck-mdr1-efflux NIH MDCK-MDR1 efflux ratio 2.564 High 1
pfas-class PFAS structural alert (1 = True, 0 = False) 0
pppb Pig plasma protein binding (% unbound) 49.480 % High 1
rh-clint Rat hepatocyte intrinsic clearance 18.281 uL/min/10^6 cells High 1
rh-fuinc Rat hepatocyte fraction unbound in incubation 31.020 % High 1
rppb Rat plasma protein binding (% unbound) 49.250 % High 1
solubility-dd Solubility at pH 7.4 in DMSO 749.894 uM High 1

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
MeSH PA D018377 Neurotransmitter Agents

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

DiseaseRelationSNOMED_IDDOID
Sjögren's syndrome indication 83901003 DOID:12894




🐶 Veterinary Drug Use

None

🐶 Veterinary products

None

Acid dissociation constants calculated using MoKa v3.0.0

Dissociation levelDissociation constantType (acidic/basic)
pKa1 3.79 acidic
pKa2 12.41 acidic
pKa3 12.75 acidic
pKa4 13.03 acidic
pKa5 13.35 acidic
pKa6 13.54 acidic
pKa7 13.89 acidic
pKa8 14.0 acidic
pKa9 10.81 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
Substance-P receptor GPCR AGONIST IC50 8.60 IUPHAR
Neuromedin-K receptor GPCR EC50 9.66 CHEMBL

External reference:

IDSource
D07936 KEGG_DRUG
C0013877 UMLSCUI
CHEBI:135903 CHEBI
CHEMBL373569 ChEMBL_ID
D004600 MESH_DESCRIPTOR_UI
2086 IUPHAR_LIGAND_ID
3278 INN_ID
OKY3285J18 UNII
10328936 PUBCHEM_CID
10129-92-7 SECONDARY_CAS_RN

Pharmaceutical products:

None