NAV

Preimplantation factor

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

Identification

Generic Name
Preimplantation factor
DrugBank Accession Number
DB16301
Background

Preimplantation factor is under investigation in clinical trial NCT03593460 (Phase II Autoimmune Hepatitis).

Type
Small Molecule
Groups
Investigational
Structure
Similar Structures
Weight
Average: 1614.84
Monoisotopic: 1613.819540221
Chemical Formula
C67H115N21O23S
Synonyms
  • Synthetic PreImplantation Factor
External IDs
  • PIF-1
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Pharmacology

Indication

Not Available

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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

Adverse Effects
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Toxicity

Not Available

Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.
Not Available
Food Interactions
Not Available

Categories

Drug Categories
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
3K6A6FJ98O
CAS number
485818-40-4
InChI Key
GLXYOFXNKBTMQL-YKCHQESGSA-N
InChI
InChI=1S/C67H115N21O23S/c1-7-34(4)52(86-55(99)37(17-12-23-74-67(72)73)78-62(106)51(33(2)3)85-54(98)36(70)20-26-112-6)63(107)80-39(16-9-11-22-69)65(109)87-24-13-18-45(87)60(104)75-30-48(92)77-43(31-89)58(102)76-35(5)53(97)81-40(27-47(71)91)56(100)79-38(15-8-10-21-68)64(108)88-25-14-19-46(88)61(105)84-44(32-90)59(103)82-41(28-49(93)94)57(101)83-42(66(110)111)29-50(95)96/h33-46,51-52,89-90H,7-32,68-70H2,1-6H3,(H2,71,91)(H,75,104)(H,76,102)(H,77,92)(H,78,106)(H,79,100)(H,80,107)(H,81,97)(H,82,103)(H,83,101)(H,84,105)(H,85,98)(H,86,99)(H,93,94)(H,95,96)(H,110,111)(H4,72,73,74)/t34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,51-,52-/m0/s1
IUPAC Name
(2S)-2-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-(2-{[(2S)-1-[(2S)-6-amino-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-methylbutanamido]-5-carbamimidamidopentanamido]-3-methylpentanamido]hexanoyl]pyrrolidin-2-yl]formamido}acetamido)-3-hydroxypropanamido]propanamido]-3-carbamoylpropanamido]hexanoyl]pyrrolidin-2-yl]formamido}-3-hydroxypropanamido]-3-carboxypropanamido]butanedioic acid
SMILES
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@@H](N)CCSC)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(O)=O

References

General References
Not Available
ChemSpider
81367646
Wikipedia
Preimplantation_factor

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2WithdrawnTreatmentAutoimmune Hepatitis1
2WithdrawnTreatmentPanel Reactive Antibodies1
1CompletedTreatmentAutoimmune Hepatitis1
1Unknown StatusTreatmentGraft-versus-host Disease (GVHD)1

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.0856 mg/mLALOGPS
logP-3ALOGPS
logP-18Chemaxon
logS-4.3ALOGPS
pKa (Strongest Acidic)-1Chemaxon
pKa (Strongest Basic)11.88Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count29Chemaxon
Hydrogen Donor Count24Chemaxon
Polar Surface Area725.23 Å2Chemaxon
Rotatable Bond Count53Chemaxon
Refractivity404.29 m3·mol-1Chemaxon
Polarizability164.02 Å3Chemaxon
Number of Rings2Chemaxon
Bioavailability0Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
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/MSsplash10-01ot-0211293000-1043e1d5163d6bf4de69
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-01ox-4401963002-bc8533e5aae0d7187cbb
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0002-1212391300-c24b7ee65b9a281db64c
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-001j-1520091000-944245b057a1fe2c5c24
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-01xt-3908185530-e98e26270f08a5d41dfc
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-009t-8036901202-5c06181213280bad1312
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at December 15, 2020 18:18 / Updated at October 05, 2023 17:34