Details of the Drug

General Information of Drug (ID: DM76GZ0)

Drug Name
Angiotensin-(1-7)
Synonyms Ang (1-7); Angiotensin (1-7); Angiotensin-(1-7) (cancer); Angiotensin-(1-7) (cancer), Wake Forest University
Indication
Disease Entry ICD 11 Status REF
Sarcoma 2A60-2C35 Phase 3 [1]
Chemotherapy-induced nausea MD90 Phase 2 [2]
Duchenne dystrophy 8C70 Phase 2 [3]
Lymphoma 2A80-2A86 Phase 2 [2]
Muscular dystrophy 8C70 Phase 1 [3]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 5 Molecular Weight (mw) 899
Logarithm of the Partition Coefficient (xlogp) -3
Rotatable Bond Count (rotbonds) 25
Hydrogen Bond Donor Count (hbonddonor) 12
Hydrogen Bond Acceptor Count (hbondacc) 14
Chemical Identifiers
Formula
C41H62N12O11
IUPAC Name
(2S)-1-[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-carboxypropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carboxylic acid
Canonical SMILES
CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CN=CN1)C(=O)N2CCC[C@H]2C(=O)O)NC(=O)[C@H](CC3=CC=C(C=C3)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(=O)O)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
InChIKey
PVHLMTREZMEJCG-GDTLVBQBSA-N
Cross-matching ID
PubChem CID
123805
ChEBI ID
CHEBI:55438
CAS Number
39386-80-6
UNII
IJ3FUK8MOF
DrugBank ID
DB11720
TTD ID
D0MH8O
INTEDE ID
DR1903
Repurposed Drugs (RPD) Click to Jump to the Detailed RPD Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Proto-oncogene Mas (MAS) TTOISYB MAS_HUMAN Agonist [4]

Drug-Metabolizing Enzyme (DME)
DME Name DME ID UniProt ID MOA REF
Angiotensin-converting enzyme 2 (ACE2)
Main DME 		DEGPI81 ACE2_HUMAN Substrate [5]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

ICD Disease Classification 02 Neoplasm
Disease Class ICD-11: 2C82 Prostate cancer
The Studied Tissue Muscle tissue
The Studied Disease Sarcoma [ICD-11:2C82]
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Proto-oncogene Mas (MAS) DTT MAS1 2.91E-75 -0.43 -1.38
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 582).
2 ClinicalTrials.gov (NCT01121120) Acceleration of Platelet Recovery Following Autologous Peripheral Blood Stem Cell Transplant (PBSC) in Hodgkin, Non-Hodgkin Lymphoma or Multiple Myeloma Patients. U.S. National Institutes of Health.
3 Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
4 New therapeutic pathways in the RAS. J Renin Angiotensin Aldosterone Syst. 2012 Dec;13(4):505-8.
5 Metabolism of angiotensin-(1-7) by angiotensin-converting enzyme. Hypertension. 1998 Jan;31(1 Pt 2):362-7.