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

General Information of Drug (ID: DR2674)
Drug Name
Macrolactin A
Synonyms 7-O-succinyl macrolactin A; 7-O-Succinyl Macrolactin F; CHEMBL528105; CHEMBL485779
Indication Colon cancer [ICD11: 2B90] Preclinical [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 502.6 Topological Polar Surface Area 130
Heavy Atom Count 36 Rotatable Bond Count 5
Hydrogen Bond Donor Count 3 Hydrogen Bond Acceptor Count 8
Cross-matching ID
PubChem CID
10601542
Formula
C28H38O8
Canonical SMILES
CC1CCCC=CC=CC(CC(CC=CC=CC(CC=CC=CC(=O)O1)OC(=O)CCC(=O)O)O)O
InChI
1S/C28H38O8/c1-22-13-7-3-2-4-8-14-23(29)21-24(30)15-9-5-10-16-25(36-28(34)20-19-26(31)32)17-11-6-12-18-27(33)35-22/h2,4-6,8-12,14,16,18,22-25,29-30H,3,7,13,15,17,19-21H2,1H3,(H,31,32)/b4-2+,9-5-,11-6+,14-8+,16-10+,18-12-/t22-,23+,24+,25-/m1/s1
InChIKey
QPJULYYJHQTWML-GIDLKBJSSA-N
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Glycosyltransferase (Gtf) DME1775 Actinomyces howellii
A0A2S0LQ16_9ACTO
2.4.1.155
[2]
References
1 Antitumor activity of 7-O-succinyl macrolactin A tromethamine salt in the mouse glioma model. Oncol Lett. 2017 May;13(5):3767-3773.
2 A bacterial glycosyltransferase gene toolbox: generation and applications. Phytochemistry. 2009 Oct-Nov;70(15-16):1812-21.

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