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

General Information of Drug (ID: DR2734)
Drug Name
Manzamine F
Synonyms Manzamine F; (+)-Manzamine F; SCHEMBL11915474; hydroxy-(8-hydroxy-9H-pyrido[3,4-b]indol-1-yl)[?]one
Indication Ovarian cancer [ICD11: 2C73] Investigative [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 580.8 Topological Polar Surface Area 92.7
Heavy Atom Count 43 Rotatable Bond Count 1
Hydrogen Bond Donor Count 3 Hydrogen Bond Acceptor Count 6
Cross-matching ID
PubChem CID
6474225
Formula
C36H44N4O3
Canonical SMILES
C1CCN2CCC3C(=CC(CCC=CC1)(C4C3(C2)CC5N4CCCC(=O)CC5)O)C6=NC=CC7=C6NC8=C7C=CC=C8O
InChI
1S/C36H44N4O3/c41-25-9-8-19-40-24(12-13-25)21-35-23-39-18-6-4-2-1-3-5-16-36(43,34(35)40)22-28(29(35)15-20-39)32-33-27(14-17-37-32)26-10-7-11-30(42)31(26)38-33/h1,3,7,10-11,14,17,22,24,29,34,38,42-43H,2,4-6,8-9,12-13,15-16,18-21,23H2/b3-1-/t24?,29-,34+,35-,36-/m0/s1
InChIKey
KYLZDBBEWRTKTG-UNFYSDSNSA-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
8-Hydroxymanzamine DM005488
101838106
Unclear 1 [2]
Ircinal A DM005489
5270588
Unclear 2 [2]
Ircinol A DM005490
6481128
Unclear 3 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR013658 Manzamine F 8-Hydroxymanzamine Unclear Unclear [2]
MR013659 8-Hydroxymanzamine Ircinal A Unclear Unclear [2]
MR013660 Ircinal A Ircinol A Unclear Unclear [2]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Unclear metabolic mechanism (DME-unclear) DME1870 Fusarium oxysporum Not Available Not Available [2]
Unclear metabolic mechanism (DME-unclear) DME1871 Fusarium proliferatum Not Available Not Available [2]
Unclear metabolic mechanism (DME-unclear) DME1872 Fusarium solani Not Available Not Available [2]
References
1 Ingenine F: a new cytotoxic tetrahydro carboline alkaloid from the indonesian marine sponge Acanthostrongylophora ingens. Pharmacogn Mag. 2018 Apr-Jun;14(54):231-234.
2 Metabolism and resistance of Fusarium spp. to the manzamine alkaloids via a putative retro pictet-spengler reaction and utility of the rational design of antimalarial and antifungal agents. Mar Biotechnol (NY). 2014 Aug;16(4):412-22.

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