NAV

MALP-2

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

Identification

Generic Name
MALP-2
DrugBank Accession Number
DB18482
Background

Not Available

Type
Small Molecule
Groups
Investigational
Structure
Similar Structures
Weight
Average: 2135.59
Monoisotopic: 2134.184696227
Chemical Formula
C99H167N19O30S
Synonyms
  • L-lysine, s-((2r)-2,3-bis((1-oxohexadecyl)oxy)propyl)-l-cysteinylglycyl-l-asparaginyl-l-asparaginyl-l-.alpha.-aspartyl-l-.alpha.-glutamyl-l-seryl-l-asparaginyl-l-isoleucyl-l-seryl-l-phenylalanyl-l-lysyl-l-.alpha.-glutamyl-
  • Macrophage-activating lipopeptide-2
  • S-(2,3-bispalmitoyloxy-(2r)-propyl)-cysteinly-gnndesnisfkek
  • S-[2,3-bispalmitoyloxy-(2R)-propyl]-cysteinly-GNNDESNISFKEK
External IDs
  • MALP-2
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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
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Not Available

Interactions

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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
DZX5IUA94D
CAS number
250718-44-6
InChI Key
DMWMUMWKGKGSNW-OPMCLZTFSA-N
InChI
InChI=1S/C99H167N19O30S/c1-5-8-10-12-14-16-18-20-22-24-26-28-33-43-84(131)147-59-64(148-85(132)44-34-29-27-25-23-21-19-17-15-13-11-9-6-2)60-149-61-65(102)87(133)106-56-80(124)107-71(52-77(103)121)92(138)113-72(53-78(104)122)93(139)115-74(55-83(129)130)94(140)110-68(46-48-82(127)128)90(136)116-75(57-119)96(142)114-73(54-79(105)123)95(141)118-86(62(4)7-3)98(144)117-76(58-120)97(143)112-70(51-63-39-31-30-32-40-63)91(137)108-66(41-35-37-49-100)88(134)109-67(45-47-81(125)126)89(135)111-69(99(145)146)42-36-38-50-101/h30-32,39-40,62,64-76,86,119-120H,5-29,33-38,41-61,100-102H2,1-4H3,(H2,103,121)(H2,104,122)(H2,105,123)(H,106,133)(H,107,124)(H,108,137)(H,109,134)(H,110,140)(H,111,135)(H,112,143)(H,113,138)(H,114,142)(H,115,139)(H,116,136)(H,117,144)(H,118,141)(H,125,126)(H,127,128)(H,129,130)(H,145,146)/t62-,64+,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,86-/m0/s1
IUPAC Name
(2S)-6-amino-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-{2-[(2R)-2-amino-3-{[(2R)-2,3-bis(hexadecanoyloxy)propyl]sulfanyl}propanamido]acetamido}-3-carbamoylpropanamido]-3-carbamoylpropanamido]-3-carboxypropanamido]-4-carboxybutanamido]-3-hydroxypropanamido]-3-carbamoylpropanamido]-3-methylpentanamido]-3-hydroxypropanamido]-3-phenylpropanamido]hexanamido]-4-carboxybutanamido]hexanoic acid
SMILES
CCCCCCCCCCCCCCCC(=O)OC[C@H](CSC[C@H](N)C(=O)NCC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCN)C(O)=O)OC(=O)CCCCCCCCCCCCCCC

References

General References
Not Available
ChemSpider
81367986

Clinical Trials

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PhaseStatusPurposeConditionsCount

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
logP-7.7Chemaxon
pKa (Strongest Acidic)2.64Chemaxon
pKa (Strongest Basic)10.51Chemaxon
Physiological Charge-1Chemaxon
Hydrogen Acceptor Count31Chemaxon
Hydrogen Donor Count25Chemaxon
Polar Surface Area827.89 Å2Chemaxon
Rotatable Bond Count92Chemaxon
Refractivity540 m3·mol-1Chemaxon
Polarizability230.04 Å3Chemaxon
Number of Rings1Chemaxon
Bioavailability0Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
Not Available
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at September 27, 2023 18:40 / Updated at September 28, 2023 05:41