Saralasin

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

Name
Saralasin
Accession Number
DB06763
Type
Small Molecule
Groups
Investigational
Description
Not Available
Structure
Thumb
Synonyms
Not Available
External IDs
P-113
Product Ingredients
IngredientUNIICASInChI Key
Saralasin acetateFO21Z580M439698-78-7YBZYNINTWCLDQA-UHKVWXOHSA-N
Categories
UNII
H2AFV2HE66
CAS number
34273-10-4
Weight
Average: 912.063
Monoisotopic: 911.497735345
Chemical Formula
C42H65N13O10
InChI Key
PFGWGEPQIUAZME-NXSMLHPHSA-N
InChI
InChI=1S/C42H65N13O10/c1-22(2)33(53-35(58)28(50-32(57)20-45-6)9-7-15-47-42(43)44)38(61)51-29(17-25-11-13-27(56)14-12-25)36(59)54-34(23(3)4)39(62)52-30(18-26-19-46-21-48-26)40(63)55-16-8-10-31(55)37(60)49-24(5)41(64)65/h11-14,19,21-24,28-31,33-34,45,56H,7-10,15-18,20H2,1-6H3,(H,46,48)(H,49,60)(H,50,57)(H,51,61)(H,52,62)(H,53,58)(H,54,59)(H,64,65)(H4,43,44,47)/t24-,28-,29-,30-,31-,33-,34-/m0/s1
IUPAC Name
(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-5-carbamimidamido-2-[2-(methylamino)acetamido]pentanamido]-3-methylbutanamido]-3-(4-hydroxyphenyl)propanamido]-3-methylbutanamido]-3-(1H-imidazol-4-yl)propanoyl]pyrrolidin-2-yl]formamido}propanoic acid
SMILES
CNCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC1=CNC=N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(O)=O

Pharmacology

Indication
Not Available
Pharmacodynamics
Not Available
Mechanism of action
Not Available
Absorption
Not Available
Volume of distribution
Not Available
Protein binding
Not Available
Metabolism
Not Available
Route of elimination
Not Available
Half life
Not Available
Clearance
Not Available
Toxicity
Not Available
Affected organisms
Not Available
Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
DrugInteraction
1-(3-Mercapto-2-Methyl-Propionyl)-Pyrrolidine-2-Carboxylic AcidThe risk or severity of adverse effects can be increased when Saralasin is combined with 1-(3-Mercapto-2-Methyl-Propionyl)-Pyrrolidine-2-Carboxylic Acid.
AcebutololThe risk or severity of hyperkalemia can be increased when Acebutolol is combined with Saralasin.
AceclofenacThe risk or severity of renal failure, hyperkalemia, and hypertension can be increased when Saralasin is combined with Aceclofenac.
AcemetacinThe risk or severity of renal failure, hyperkalemia, and hypertension can be increased when Saralasin is combined with Acemetacin.
Acetylsalicylic acidThe risk or severity of renal failure, hyperkalemia, and hypertension can be increased when Saralasin is combined with Acetylsalicylic acid.
AgmatineThe risk or severity of hyperkalemia can be increased when Saralasin is combined with Agmatine.
AlclofenacThe risk or severity of renal failure, hyperkalemia, and hypertension can be increased when Saralasin is combined with Alclofenac.
AliskirenThe risk or severity of hyperkalemia can be increased when Aliskiren is combined with Saralasin.
AlminoprofenThe risk or severity of renal failure, hyperkalemia, and hypertension can be increased when Saralasin is combined with Alminoprofen.
AlprenololThe risk or severity of hyperkalemia can be increased when Alprenolol is combined with Saralasin.
Food Interactions
Not Available

References

General References
Not Available
External Links
ChemSpider
4884380
BindingDB
50009338
ChEBI
135894
ChEMBL
CHEMBL938
Wikipedia
Saralasin

Clinical Trials

Clinical Trials
Not Available

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Solid
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.0584 mg/mLALOGPS
logP0.41ALOGPS
logP-4.3ChemAxon
logS-4.2ALOGPS
pKa (Strongest Acidic)3.31ChemAxon
pKa (Strongest Basic)11.74ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count15ChemAxon
Hydrogen Donor Count13ChemAxon
Polar Surface Area355.05 Å2ChemAxon
Rotatable Bond Count25ChemAxon
Refractivity244.56 m3·mol-1ChemAxon
Polarizability95.17 Å3ChemAxon
Number of Rings3ChemAxon
Bioavailability0ChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
Predicted ADMET features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available

Taxonomy

Classification
Not classified

Drug created on September 14, 2010 10:21 / Updated on November 02, 2018 08:51