Aviptadil

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

Identification

Logo pink
Are you a
new drug developer?
Contact us to learn more about our customized products and solutions.
Name
Aviptadil
Accession Number
DB06260
Type
Small Molecule
Groups
Experimental
Description
Not Available
Structure
Thumb
Synonyms
  • Aviptadil
  • Porcine vasoactive intestinal octacosapeptide
  • Vasoactive intestinal octacosapeptide (pig)
  • Vasoactive intestinal octacosapeptide (swine)
International/Other Brands
Invicorp
Categories
UNII
A67JUW790C
CAS number
40077-57-4
Weight
Average: 3255.75
Monoisotopic: 3253.691767464
Chemical Formula
C145H232N40O43S
InChI Key
OIDGWOIMPADMGM-GXSWRUKYSA-N
InChI
InChI=1S/C145H232N40O43S/c1-19-74(13)114(141(224)175-94(55-71(7)8)130(213)178-102(144(227)228)62-109(153)195)183-138(221)104(67-187)180-133(216)99(61-108(152)194)172-129(212)93(54-70(5)6)169-131(214)95(57-80-37-41-83(189)42-38-80)170-124(207)87(34-25-28-49-147)163-123(206)88(35-26-29-50-148)166-139(222)112(72(9)10)181-118(201)76(15)159-121(204)91(47-52-229-18)165-126(209)90(45-46-106(150)192)164-122(205)86(33-24-27-48-146)162-117(200)75(14)160-127(210)92(53-69(3)4)168-125(208)89(36-30-51-157-145(154)155)167-143(226)116(105(191)20-2)185-136(219)96(58-81-39-43-84(190)44-40-81)171-132(215)98(60-107(151)193)173-134(217)101(64-111(198)199)177-142(225)115(78(17)188)184-135(218)97(56-79-31-22-21-23-32-79)176-140(223)113(73(11)12)182-119(202)77(16)161-128(211)100(63-110(196)197)174-137(220)103(66-186)179-120(203)85(149)59-82-65-156-68-158-82/h21-23,31-32,37-44,65,68-78,85-105,112-116,186-191H,19-20,24-30,33-36,45-64,66-67,146-149H2,1-18H3,(H2,150,192)(H2,151,193)(H2,152,194)(H2,153,195)(H,156,158)(H,159,204)(H,160,210)(H,161,211)(H,162,200)(H,163,206)(H,164,205)(H,165,209)(H,166,222)(H,167,226)(H,168,208)(H,169,214)(H,170,207)(H,171,215)(H,172,212)(H,173,217)(H,174,220)(H,175,224)(H,176,223)(H,177,225)(H,178,213)(H,179,203)(H,180,216)(H,181,201)(H,182,202)(H,183,221)(H,184,218)(H,185,219)(H,196,197)(H,198,199)(H,227,228)(H4,154,155,157)/t74-,75-,76-,77-,78+,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105+,112-,113-,114-,115-,116-/m0/s1
IUPAC Name
(3S)-3-{[(1S)-1-{[(1S)-1-{[(1S,2R)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-5-amino-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-5-amino-1-{[(1S)-5-amino-1-{[(1S)-1-{[(1S)-1-{[(1S)-2-carbamoyl-1-{[(1S)-1-{[(1S,2S)-1-{[(1S)-1-{[(1S)-2-carbamoyl-1-carboxyethyl]carbamoyl}-3-methylbutyl]carbamoyl}-2-methylbutyl]carbamoyl}-2-hydroxyethyl]carbamoyl}ethyl]carbamoyl}-3-methylbutyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}pentyl]carbamoyl}pentyl]carbamoyl}-2-methylpropyl]carbamoyl}ethyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}-3-carbamoylpropyl]carbamoyl}pentyl]carbamoyl}ethyl]carbamoyl}-3-methylbutyl]carbamoyl}-4-carbamimidamidobutyl]carbamoyl}-2-hydroxybutyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}-2-carbamoylethyl]carbamoyl}-3-[(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-5-yl)propanamido]-3-hydroxypropanamido]-3-carboxypropanamido]propanamido]-3-methylbutanamido]-3-phenylpropanamido]-3-hydroxybutanamido]propanoic acid
SMILES
CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CC1=CN=CN1)C(C)C)[C@@H](C)O)[C@H](O)CC)C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)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
Not Available
Food Interactions
Not Available

References

General References
  1. Keijzers GB: Aviptadil (Senatek). Curr Opin Investig Drugs. 2001 Apr;2(4):545-9. [PubMed:11566015]
External Links
ChemSpider
28528368
ChEMBL
CHEMBL2106041
Wikipedia
Aviptadil

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 Solubility0.0536 mg/mLALOGPS
logP-1.6ALOGPS
logP-21ChemAxon
logS-4.8ALOGPS
pKa (Strongest Acidic)2.94ChemAxon
pKa (Strongest Basic)11.9ChemAxon
Physiological Charge2ChemAxon
Hydrogen Acceptor Count51ChemAxon
Hydrogen Donor Count48ChemAxon
Polar Surface Area1386 Å2ChemAxon
Rotatable Bond Count110ChemAxon
Refractivity825.76 m3·mol-1ChemAxon
Polarizability336.94 Å3ChemAxon
Number of Rings4ChemAxon
Bioavailability0ChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
Predicted ADMET features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
Not Available

Taxonomy

Classification
Not classified

Drug created on March 19, 2008 10:19 / Updated on June 04, 2019 06:22