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

General Information of Drug (ID: DR5105)
Drug Name
Altretamine
Synonyms
Altretamina; Altretaminum; HEXAMETHYLMELAMINE; HMM; HTM; HXM; Hemel; Hexalen; Hexastat; Hexinawas; Altretamine Bellon Brand; Altretamine Chiesi Brand; Altretamine Wassermann Brand; Bellon Brand of Altretamine; Chiesi Brand of Altretamine; MGI Pharma Brand of Altretamine; Rhone Poulenc Rorer Brand of Altretamine; Wassermann Brand of Altretamine; A 8723; ENT 50852; NC 195; Altretamina [INN-Spanish]; Altretaminum [INN-Latin]; Hexalen (TN); Hexalen, Altretamine; KB-913; Rhone-Poulenc Rorer Brand of Altretamine; Altretamine (USP/INN); Altretamine [USAN:INN:BAN]; No-s-triazine; N,N,N',N',N'',N''-hexamethyl-1,3,5-triazine-2,4,6-triamine; N~2~,N~2~,N~4~,N~4~,N~6~,N~6~-Hexamethyl-1,3,5-triazine-2,4,6-triamine; 2,4, 6-Tris(dimethylamino)-1,3,5-triazine; 2,4,6-Tris(dimethylami; 2,4,6-Tris(dimethylamino)-1,3,5-triazine; 2,4,6-Tris(dimethylamino-s-triazine; 2-N,2-N,4-N,4-N,6-N,6-N-hexamethyl-1,3,5-triazine-2,4,6-triamine
Indication Ovarian cancer [ICD11: 2C73] Approved [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 210.28 Topological Polar Surface Area 48.4
Heavy Atom Count 15 Rotatable Bond Count 3
Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 6
Cross-matching ID
PubChem CID
2123
ChEBI ID
CHEBI:24564
CAS Number
645-05-6
TTD Drug ID
D02LPF
Formula
C9H18N6
Canonical SMILES
CN(C)C1=NC(=NC(=N1)N(C)C)N(C)C
InChI
InChI=1S/C9H18N6/c1-13(2)7-10-8(14(3)4)12-9(11-7)15(5)6/h1-6H3
InChIKey
UUVWYPNAQBNQJQ-UHFFFAOYSA-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
HMPMM DM015201
152134
Unclear - Unclear 1 [3]
PMM DM014998
27775
Unclear - Unclear 2 [3]
N2N2N4N4-TMM DM014977
17805
Unclear - Unclear 3 [3]
N2N2N4N6-TMM DM014997
27774
Unclear - Unclear 3 [3]
N2N2N4-TriMM DM015254
197943
Unclear - Unclear 4 [3]
N2N4N6-TriMM DM014976
17804
Unclear - Unclear 4 [3]
N2N2-DMM DM014971
16134
Unclear - Unclear 5 [3]
N2N4-DMM DM015763
11469186
Unclear - Unclear 5 [3]
MMM DM014992
26029
Unclear - Unclear 6 [3]
M DM014912
7955
Unclear - Unclear 7 [4]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR008952 Altretamine HMPMM Unclear - Unclear Unclear [3]
MR008953 HMPMM PMM Unclear - Unclear Unclear [3]
MR008954 PMM N2N2N4N6-TMM Unclear - Unclear MFO [3]
MR008959 PMM N2N2N4N4-TMM Unclear - Unclear Unclear [3]
MR008960 N2N2N4N4-TMM N2N2N4-TriMM Unclear - Unclear MFO [3]
MR008955 N2N2N4N6-TMM N2N4N6-TriMM Unclear - Unclear MFO [3]
MR008961 N2N2N4-TriMM N2N2-DMM Unclear - Unclear MFO [3]
MR008956 N2N4N6-TriMM N2N4-DMM Unclear - Unclear MFO [3]
MR008962 N2N2-DMM MMM Unclear - Unclear MFO [3]
MR008957 N2N4-DMM MMM Unclear - Unclear MFO [3]
MR008958 MMM M Unclear - Unclear Unclear [4]
⏷ Show the Full List of 11 MR(s)
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 (CYP) DMEN060 . Not Available Not Available [2]
mixed function oxidases (MFO) DMEN784 Homo sapiens Not Available Not Available [3]
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: 7112).
2 Hexamethylmelamine: pharmacology and mechanism of action
3 Clinical pharmacokinetics of altretamine
4 Distribution, metabolism, and irreversible binding of hexamethylmelamine in mice bearing ovarian carcinoma

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