Details of the Drug Metabolized by Drug-Metabolizing Enzyme (DME)

General Information of Drug (ID: DR1903)
Drug Name	TXA-127
Synonyms	Ang-(1-7); Angiotensin (1-7); Angiotensin II (1-7) heptapeptide; Angiotensin i (1-7); Angiotensin, Canine, Rat; Human angiotensin-(1-7); IJ3FUK8MOF; Ile(5)-angiotensin II (1-7); TXA-127; TXA127; angiotensin 1-7; angiotensin II (1-7); angiotensin-(1-7); 1-7-Human angiotensin II; 39386-80-6; 51833-78-4; 8-Des-phe-angiotensin II; ASP-ARG-VAL-TYR-ILE-HIS-PRO; Angiotensin II, 5-L-isoleucine-8-de-L-phenylalanine-; CHEBI:55438; L-alpha-aspartyl-L-arginyl-L-valyl-L-tyrosyl-L-isoleucyl-L-histidyl-L-proline; MFCD00153513; UNII-IJ3FUK8MOF
Indication	Histiocytic sarcoma [ICD11: 2B31]			Phase 3	[1]
Structure
Structure	3D MOL is unavailable		2D MOL
Pharmaceutical Properties	Molecular Weight	899	Topological Polar Surface Area		380
	Heavy Atom Count	64	Rotatable Bond Count		25
	Hydrogen Bond Donor Count	12	Hydrogen Bond Acceptor Count		14
Cross-matching ID	PubChem CID 123805 PubChem SID 14889691 ; 14938661 ; 29303996 ; 47205170 ; 50070389 ; 50070541 ; 50071317 ; 50112515 ; 74375902 ; 80118902 ; 87351979 ; 104419365 ; 126686943 ; 134223321 ; 135079217 ; 135232468 ; 135651614 ; 136351656 ; 137156831 ; 163423858 ; 184605749 ; 223672217 ; 240852277 ; 241091408 ; 241182531 ; 241375500 ; 249617335 ; 252392657 ; 252477658 ChEBI ID CHEBI:55438 CAS Number 39386-80-6 TTD Drug ID D0MH8O Formula C41H62N12O11 Canonical SMILES CCC(C)C(C(=O)NC(CC1=CN=CN1)C(=O)N2CCCC2C(=O)O)NC(=O)C(CC3=CC=C(C=C3)O)NC(=O)C(C(C)C)NC(=O)C(CCCN=C(N)N)NC(=O)C(CC(=O)O)N 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

The Metabolic Roadmap of This Drug

The Full List of Drug Metabolites (DM) of This Drug

DM Name	DM ID	PubChem ID	Reaction	DM Level	REF
Unclear	DM009999	N. A.	Hydrolysis - Hydrolysis	1	[2]

The Full List of Metabolic Reaction (MR) of This Drug

MR ID	Reactant	Product	MR Type	DME	REF
MR006485	TXA-127	Unclear	Hydrolysis - Hydrolysis	ACE2	[2]

Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug

DME Name	DME Info	Species	Uniprot ID	EC Number	REF
Angiotensin-converting enzyme 2 (ACE2)	DME0446	Homo sapiens	ACE2_HUMAN	3.4.17.23	[2]

References
1	New therapeutic pathways in the RAS. J Renin Angiotensin Aldosterone Syst. 2012 Dec;13(4):505-8.
2	Metabolism of angiotensin-(1-7) by angiotensin-converting enzyme. Hypertension. 1998 Jan;31(1 Pt 2):362-7.

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