NAV

Angiotensin 1-7

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

Identification

Generic Name
Angiotensin 1-7
DrugBank Accession Number
DB11720
Background

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

Type
Small Molecule
Groups
Investigational
Structure
Similar Structures
Weight
Average: 899.02
Monoisotopic: 898.466100864
Chemical Formula
C41H62N12O11
Synonyms
  • Angiotensin (1-7)
  • Angiotensin I (1-7)
  • Angiotensin II (1-7) heptapeptide
External IDs
  • TXA-127
  • TXA127
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Pharmacology

Indication

Not Available

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Contraindications & Blackbox Warnings
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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 Browse all" title="About SNP Mediated Effects/ADRs" id="snp-actions-info" class="drug-info-popup" href="javascript:void(0);">
Not Available

Interactions

Drug Interactions Learn More" title="About Drug Interactions" id="structured-interactions-info" class="drug-info-popup" href="javascript:void(0);">
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
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interactions in your software
AbaloparatideAbaloparatide may increase the hypotensive activities of Angiotensin 1-7.
AcebutololAcebutolol may increase the hypotensive activities of Angiotensin 1-7.
AceclofenacThe therapeutic efficacy of Angiotensin 1-7 can be decreased when used in combination with Aceclofenac.
AcemetacinThe therapeutic efficacy of Angiotensin 1-7 can be decreased when used in combination with Acemetacin.
Acetylsalicylic acidAcetylsalicylic acid may decrease the antihypertensive activities of Angiotensin 1-7.
Food Interactions
Not Available

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
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
1-hydroxy-2-unsubstituted benzenoid / Alpha peptide / Alpha-amino acid amide / Alpha-amino acid or derivatives / Amine / Amino acid / Amino acid or derivatives / Amphetamine or derivatives / Aromatic heteromonocyclic compound / Azacycle
show 39 more
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
angiotensin (CHEBI:55438)
Affected organisms
Not Available

Chemical Identifiers

UNII
IJ3FUK8MOF
CAS number
51833-78-4
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-5-yl)propanoyl]pyrrolidine-2-carboxylic acid
SMILES
[H][C@](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@@H](C)CC)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N1CCC[C@H]1C(O)=O

References

General References
Not Available
PubChem Compound
123805
PubChem Substance
347828083
ChemSpider
110354
BindingDB
85556
ChEBI
55438
ChEMBL
CHEMBL3545347
ZINC
ZINC000096077632

Clinical Trials

Clinical Trials Learn More" title="About Clinical Trials" id="clinical-trials-info" class="drug-info-popup" href="javascript:void(0);">
PhaseStatusPurposeConditionsCount
2CompletedSupportive CareAnemia / Lymphopenia / Neutropenia / Thrombocytopenia1
2CompletedTreatmentBone Cancer / Chondrosarcomas / Clear Cell Sarcoma of the Kidney / Metastatic Bone Sarcomas / Ovarian Sarcoma / Recurrent Adult Soft Tissue Sarcoma / Recurrent Osteosarcoma / Recurrent Uterine Sarcoma / Stage III Adult Soft Tissue Sarcoma / Stage III Uterine Sarcoma / Stage IV Adult Soft Tissue Sarcoma / Stage IV Uterine Sarcoma1
2CompletedTreatmentCoronavirus Disease 2019 (COVID‑19)1
2RecruitingTreatmentCoronavirus Disease 2019 (COVID‑19)1
2RecruitingTreatmentDMD-Associated Dilated Cardiomyopathy1

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 Solubility0.0399 mg/mLALOGPS
logP-1.4ALOGPS
logP-6.3Chemaxon
logS-4.4ALOGPS
pKa (Strongest Acidic)2.95Chemaxon
pKa (Strongest Basic)11.74Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count16Chemaxon
Hydrogen Donor Count13Chemaxon
Polar Surface Area377.24 Å2Chemaxon
Rotatable Bond Count25Chemaxon
Refractivity238.19 m3·mol-1Chemaxon
Polarizability92.45 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/MSsplash10-00o1-0461047190-09629b3d890a6e13f196
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-004r-1010041190-06d09e44dde1f4957258
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0ac0-6923083560-f50d0ff846bbca76f9c1
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-00a9-1132057290-fdbd2f72a75fb980a24c
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-00c0-5920020210-4eed8c1e1d9406bea787
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-03di-1940037540-863cd487002ec6bfb500
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-295.132
predicted
DeepCCS 1.0 (2019)
[M+H]+296.85574
predicted
DeepCCS 1.0 (2019)
[M+Na]+303.18472
predicted
DeepCCS 1.0 (2019)

Drug created at October 20, 2016 20:42 / Updated at January 14, 2023 19:03