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

General Information of Drug (ID: DR2638)
Drug Name
Oligomycin C
Synonyms Ambotz11052-72-5; O5251_SIGMA; Oligomycin C; Q27107578; SCHEMBL454280; ZINC255967246; 11052-72-5; AB01209739-01; AC1NQZ9I; AKOS024418757; BRD-K05350981-001-01-0; C11313; MFCD00043231
Indication Colon cancer [ICD11: 2B90] Investigative [1]
Structure
3D MOL is unavailable 2D MOL
Pharmaceutical Properties Molecular Weight 775.1 Topological Polar Surface Area 160
Heavy Atom Count 55 Rotatable Bond Count 3
Hydrogen Bond Donor Count 4 Hydrogen Bond Acceptor Count 10
Cross-matching ID
PubChem CID
5281901
CAS Number
11052-72-5
Formula
C45H74O10
Canonical SMILES
CCC1CCC2C(C(C(C3(O2)CCC(C(O3)CC(C)O)C)C)OC(=O)C=CC(C(C(C(=O)C(C(C(C(=O)C(C(C(CC=CC=C1)C)O)C)C)O)C)C)O)C)C
InChI
1S/C45H74O10/c1-12-35-17-15-13-14-16-26(3)39(48)30(7)41(50)32(9)43(52)33(10)42(51)31(8)40(49)27(4)18-21-38(47)53-44-29(6)36(20-19-35)54-45(34(44)11)23-22-25(2)37(55-45)24-28(5)46/h13-15,17-18,21,25-37,39-40,43-44,46,48-49,52H,12,16,19-20,22-24H2,1-11H3/b14-13+,17-15+,21-18+/t25-,26+,27-,28+,29+,30-,31-,32+,33-,34-,35-,36-,37-,39-,40+,43-,44+,45-/m1/s1
InChIKey
CMMLZMMKTYEOKV-JEKNLLRFSA-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
Oligomycin A DM004067
52947716
Oxidation - Hydrolyzationn 1 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR004432 Oligomycin C Oligomycin A Oxidation - Hydrolyzationn pikC [2]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 107L2 (cyp107) DME2063 Streptomyces avermitilis
PIKC_STRVZ
1.14.15.11
[2]
Cytochrome P450 107W1 (cyp107) DME2085 Streptomyces avermitilis
PIKC_STRVZ
1.14.15.11
[3] , [4]
References
1 Oligomycins as inhibitors of K-Ras plasma membrane localisation. Org Biomol Chem. 2016 Jan 14;14(2):711-715.
2 Functional characterization of CYP107W1 from Streptomyces avermitilis and biosynthesis of macrolide oligomycin A
3 The metagenome of Caracolus marginella gut microbiome using culture independent approaches and shotgun sequencing. Data Brief. 2017 Nov 22;16:501-505.
4 Structural analysis of the Streptomyces avermitilis CYP107W1-oligomycin A complex and role of the tryptophan 178 residue. Mol Cells. 2016 Mar;39(3):211-6.

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