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

General Information of Drug (ID: DR1845)
Drug Name
MB-07811
Synonyms
MB 07811; MB-07811; MB07811; SCHEMBL282796; 3Z11398FNQ; 4-(3-Chlorophenyl)-2-[(4-{[4-hydroxy-3-(propan-2-yl)phenyl]methyl}-3,5-dimethylphenoxy)methyl]-1,3,2lambda~5~-dioxaphosphinan-2-one; 852948-13-1; BDBM50401076; CHEMBL457748; CS-0034844; DTXSID501005783; HY-111288; UNII-3Z11398FNQ; trans-(S)-2-((3,5-Dimethyl-4-(4-hydroxy-3-isopropylbenzyl)phenoxy)methyl)-4-(3-chlorophenyl)-2-oxo-(1,3,2)dioxaphosphorinane
Indication Hypertriglyceridaemia [ICD11: 5C80] Phase 2 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 515 Topological Polar Surface Area 65
Heavy Atom Count 35 Rotatable Bond Count 7
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 5
Cross-matching ID
PubChem CID
15942005
CAS Number
852948-13-1
TTD Drug ID
D07ZTD
Formula
C28H32ClO5P
Canonical SMILES
CC1=CC(=CC(=C1CC2=CC(=C(C=C2)O)C(C)C)C)OCP3(=O)OCCC(O3)C4=CC(=CC=C4)Cl
InChI
1S/C28H32ClO5P/c1-18(2)25-14-21(8-9-27(25)30)15-26-19(3)12-24(13-20(26)4)32-17-35(31)33-11-10-28(34-35)22-6-5-7-23(29)16-22/h5-9,12-14,16,18,28,30H,10-11,15,17H2,1-4H3/t28-,35+/m0/s1
InChIKey
LGGPZDRLTDGYSQ-JADSYQMUSA-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
MB-07344 metabolite 1 DM015993
21834841
Unclear - Unclear 1 [2]
MB07344 DM015944
16203737
Unclear - Unclear 1 [2]
MB06588 DM019898 N. A. Unclear - Unclear 2 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR012674 MB-07811 MB-07344 metabolite 1 Unclear - Unclear Unclear [2]
MR012676 MB-07811 MB07344 Unclear - Unclear CYP3A4 [2]
MR012675 MB-07344 metabolite 1 MB06588 Unclear - Unclear Unclear [2]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 3A4 (CYP3A4) DME0001 Homo sapiens
CP3A4_HUMAN
1.14.14.55
[2]
References
1 ClinicalTrials.gov (NCT00879112) Study of MB07811 in Subjects With Hypercholesterolemia.
2 Preclinical pharmacokinetics of a HepDirect prodrug of a novel phosphonate-containing thyroid hormone receptor agonist. Drug Metab Dispos. 2008 Nov;36(11):2393-403.

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