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

General Information of Drug (ID: DR3265)
Drug Name
LIK-066
Synonyms .
Indication Heart failure [ICD11: BD10-BD1Z] Phase 2 [1]
Type-2 diabetes [ICD11: ICD11: 5A11] Phase 2 [2]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 416.5 Topological Polar Surface Area 109
Heavy Atom Count 30 Rotatable Bond Count 5
Hydrogen Bond Donor Count 4 Hydrogen Bond Acceptor Count 7
Cross-matching ID
PubChem CID
52913524
CAS Number
1291094-73-9
TTD Drug ID
D0X2UI
Formula
C23H28O7
Canonical SMILES
CCC1=C(C=C(C=C1)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)CC3=CC4=C(C=C3)OCCO4
InChI
InChI=1S/C23H28O7/c1-2-14-4-5-15(23-22(27)21(26)20(25)19(12-24)30-23)11-16(14)9-13-3-6-17-18(10-13)29-8-7-28-17/h3-6,10-11,19-27H,2,7-9,12H2,1H3/t19-,20-,21+,22-,23+/m1/s1
InChIKey
XFJAMQQAAMJFGB-ZQGJOIPISA-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
LIK-066 M12,15 DM019628 N. A. Multi-steps Reaction - Oxidation; Dioxine oxidation ring opening 1 [3]
LIK-066 M13,14 DM019627 N. A. Oxidation - Oxidation 1 [3]
LIK-066 M17,27 DM019634 N. A. Multi-steps Reaction - Oxidation; direct glucuronidation 1 [3]
LIK-066 M20,M21 DM019630 N. A. Multi-steps Reaction - Oxidation; Dioxine oxidation ring opening 1 [3]
LIK-066 M22 DM019624 N. A. Oxidation - Oxidation 1 [3]
LIK-066 M28 DM019633 N. A. Multi-steps Reaction - Oxidation; Desaturation 1 [3]
LIK-066 M7 DM019632 N. A. Multi-steps Reaction - O-dealkylation; Dioxine oxidation ring opening; glucurondation 1 [3]
LIK-066 M1,2,3,5 DM019626 N. A. Unclear - Unclear 2 [3]
LIK-066 M10,18,41 DM019625 N. A. Conjugation - Glucuronidation 2 [3]
LIK-066 M11 DM019629 N. A. Conjugation - Glucuronidation 2 [3]
LIK-066 M6,M8 DM019631 N. A. Conjugation - Glucuronidation 2 [3]
LIK-066 M1,2,3,5 DM019626 N. A. Unclear - Unclear 3 [3]
⏷ Show the Full List of 12  DM(s)
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR012303 LIK-066 LIK-066 M22 Oxidation - Oxidation Unclear [3]
MR012306 LIK-066 LIK-066 M13,14 Oxidation - Oxidation CYP2J2 ... [3]
MR012308 LIK-066 LIK-066 M12,15 Multi-steps Reaction - Oxidation; Dioxine oxidation ring opening Unclear [3]
MR012311 LIK-066 LIK-066 M20,M21 Multi-steps Reaction - Oxidation; Dioxine oxidation ring opening Unclear [3]
MR012313 LIK-066 LIK-066 M7 Multi-steps Reaction - O-dealkylation; Dioxine oxidation ring opening; glucurondation Unclear [3]
MR012314 LIK-066 LIK-066 M28 Multi-steps Reaction - Oxidation; Desaturation Unclear [3]
MR012315 LIK-066 LIK-066 M17,27 Multi-steps Reaction - Oxidation; direct glucuronidation UGT1A9 ... [3]
MR012309 LIK-066 M12,15 LIK-066 M11 Conjugation - Glucuronidation Unclear [3]
MR012310 LIK-066 M12,15 LIK-066 M1,2,3,5 Unclear - Unclear Unclear [3]
MR012307 LIK-066 M13,14 LIK-066 M10,18,41 Conjugation - Glucuronidation Unclear [3]
MR012312 LIK-066 M20,M21 LIK-066 M6,M8 Conjugation - Glucuronidation Unclear [3]
MR012304 LIK-066 M22 LIK-066 M10,18,41 Conjugation - Glucuronidation Unclear [3]
MR012305 LIK-066 M10,18,41 LIK-066 M1,2,3,5 Unclear - Unclear Unclear [3]
⏷ Show the Full List of 13 MR(s)
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 1A1 (CYP1A1) DME0006 Homo sapiens
CP1A1_HUMAN
1.14.14.1
[3]
Cytochrome P450 2C8 (CYP2C8) DME0018 Homo sapiens
CP2C8_HUMAN
1.14.14.1
[3]
Cytochrome P450 2C9 (CYP2C9) DME0019 Homo sapiens
CP2C9_HUMAN
1.14.14.1
[3]
Cytochrome P450 2J2 (CYP2J2) DME0031 Homo sapiens
CP2J2_HUMAN
1.14.14.24
[3]
Cytochrome P450 3A4 (CYP3A4) DME0001 Homo sapiens
CP3A4_HUMAN
1.14.14.55
[3]
Mephenytoin 4-hydroxylase (CYP2C19) DME0021 Homo sapiens
CP2CJ_HUMAN
1.14.14.1
[3]
UDP-glucuronosyltransferase 1A9 (UGT1A9) DME0042 Homo sapiens
UD19_HUMAN
2.4.1.17
[3]
UDP-glucuronosyltransferase 2B4 (UGT2B4) DME0047 Homo sapiens
UD2B4_HUMAN
2.4.1.17
[3]
UDP-glucuronosyltransferase 2B7 (UGT2B7) DME0040 Homo sapiens
UD2B7_HUMAN
2.4.1.17
[3]
⏷ Show the Full List of 9  DME(s)
References
1 Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
2 ClinicalTrials.gov (NCT01824264) Dose-finding Study of LIK066 Compared With Placebo or Sitagliptin to Evaluate Change in HbA1c in Patients With Diabetes. U.S. National Institutes of Health.
3 Pharmacokinetics, metabolism, and excretion of licogliflozin, a dual inhibitor of SGLT1/2, in rats, dogs, and humans

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