Angiotensin 1-7

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

Identification

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Name
Angiotensin 1-7
Accession Number
DB11720
Type
Small Molecule
Groups
Investigational
Description

TXA127 has been investigated for the treatment of Miscellaneous Peripheral Blood Cell Abnormalities.

Structure
Thumb
Synonyms
Not Available
Categories
UNII
IJ3FUK8MOF
CAS number
51833-78-4
Weight
Average: 899.02
Monoisotopic: 898.466100864
Chemical Formula
C41H62N12O11
InChI Key
PVHLMTREZMEJCG-GDTLVBQBSA-N
InChI
InChI=1S/C41H62N12O11/c1-5-22(4)33(38(61)50-29(17-24-19-45-20-47-24)39(62)53-15-7-9-30(53)40(63)64)52-36(59)28(16-23-10-12-25(54)13-11-23)49-37(60)32(21(2)3)51-35(58)27(8-6-14-46-41(43)44)48-34(57)26(42)18-31(55)56/h10-13,19-22,26-30,32-33,54H,5-9,14-18,42H2,1-4H3,(H,45,47)(H,48,57)(H,49,60)(H,50,61)(H,51,58)(H,52,59)(H,55,56)(H,63,64)(H4,43,44,46)/t22-,26-,27-,28-,29-,30-,32-,33-/m0/s1
IUPAC Name
(2S)-1-[(2S)-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-5-carbamimidamidopentanamido]-3-methylbutanamido]-3-(4-hydroxyphenyl)propanamido]-3-methylpentanamido]-3-(1H-imidazol-4-yl)propanoyl]pyrrolidine-2-carboxylic acid
SMILES
CC[C@H](C)[C@H](NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(=O)N[C@@H](CC1=CNC=N1)C(=O)N1CCC[C@H]1C(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
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.
DrugInteraction
1-(3-Mercapto-2-Methyl-Propionyl)-Pyrrolidine-2-Carboxylic Acid1-(3-Mercapto-2-Methyl-Propionyl)-Pyrrolidine-2-Carboxylic Acid may decrease the antihypertensive activities of Angiotensin 1-7.
1-benzylimidazole1-benzylimidazole may decrease the antihypertensive activities of Angiotensin 1-7.
2,5-Dimethoxy-4-ethylamphetamine2,5-Dimethoxy-4-ethylamphetamine may decrease the antihypertensive activities of Angiotensin 1-7.
2,5-Dimethoxy-4-ethylthioamphetamine2,5-Dimethoxy-4-ethylthioamphetamine may decrease the antihypertensive activities of Angiotensin 1-7.
4-Bromo-2,5-dimethoxyamphetamine4-Bromo-2,5-dimethoxyamphetamine may decrease the antihypertensive activities of Angiotensin 1-7.
4-Methoxyamphetamine4-Methoxyamphetamine may decrease the antihypertensive activities of Angiotensin 1-7.
5-methoxy-N,N-dimethyltryptamine5-methoxy-N,N-dimethyltryptamine may decrease the antihypertensive activities of Angiotensin 1-7.
7,8-Dichloro-1,2,3,4-tetrahydroisoquinoline7,8-Dichloro-1,2,3,4-tetrahydroisoquinoline may increase the hypotensive activities of Angiotensin 1-7.
AbediterolAbediterol may decrease the antihypertensive activities of Angiotensin 1-7.
AcebutololThe therapeutic efficacy of Angiotensin 1-7 can be increased when used in combination with Acebutolol.
Additional Data Available
  • Extended Description
    Extended Description

    Extended description of the mechanism of action and particular properties of each drug interaction.

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  • Severity
    Severity

    A severity rating for each drug interaction, from minor to major.

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  • Evidence Level
    Evidence Level

    A rating for the strength of the evidence supporting each drug interaction.

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  • Action
    Action

    An effect category for each drug interaction. Know how this interaction affects the subject drug.

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Food Interactions
Not Available

References

General References
Not Available
External Links
PubChem Compound
123805
PubChem Substance
347828083
ChemSpider
110354
BindingDB
85556
ChEBI
55438
ChEMBL
CHEMBL3545347

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
0Active Not RecruitingBasic ScienceHigh Blood Pressure (Hypertension)1
0RecruitingTreatmentPeripheral Arterial Disease (PAD)1
1CompletedTreatmentMiscellaneous Peripheral Blood Cell Abnormalities1
1TerminatedTreatmentHuman Immunodeficiency Virus (HIV) Infections1
1TerminatedTreatmentMyelodysplastic Syndromes (MDS)1
2Active Not RecruitingSupportive CareHodgkins Disease (HD) / Multiple Myeloma (MM) / Non-Hodgkin's Lymphoma (NHL)1
2CompletedSupportive CareAnemias / Lymphopenia / Neutropenias / Thrombocytopenias1

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 Solubility0.0403 mg/mLALOGPS
logP-1.3ALOGPS
logP-6ChemAxon
logS-4.4ALOGPS
pKa (Strongest Acidic)2.95ChemAxon
pKa (Strongest Basic)11.74ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count16ChemAxon
Hydrogen Donor Count13ChemAxon
Polar Surface Area377.24 Å2ChemAxon
Rotatable Bond Count25ChemAxon
Refractivity237.62 m3·mol-1ChemAxon
Polarizability92.11 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

Description
This compound belongs to the class of organic compounds known as peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.
Kingdom
Organic compounds
Super Class
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Sub Class
Amino acids, peptides, and analogues
Direct Parent
Peptides
Alternative Parents
Histidine and derivatives / Proline and derivatives / N-acyl-L-alpha-amino acids / Alpha amino acid amides / Beta amino acids and derivatives / Amphetamines and derivatives / Pyrrolidine carboxylic acids / Imidazolyl carboxylic acids and derivatives / N-acylpyrrolidines / 1-hydroxy-2-unsubstituted benzenoids
show 16 more
Substituents
Alpha peptide / Histidine or derivatives / N-acyl-alpha amino acid or derivatives / N-acyl-alpha-amino acid / Proline or derivatives / N-acyl-l-alpha-amino acid / Alpha-amino acid amide / Beta amino acid or derivatives / Alpha-amino acid or derivatives / Amphetamine or derivatives
show 39 more
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
angiotensin (CHEBI:55438)

Drug created on October 20, 2016 14:42 / Updated on September 02, 2019 19:30