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

General Information of Drug (ID: DR0979)
Drug Name
Lorcaserin
Synonyms
Lorcaserin; Lorcaserin [INN]; Lorqess; Belvig; Belviq; (1R)-8-chloro-1-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine; (1R)-8-chloro-2,3,4,5-tetrahydro-1-methyl-1H-3-benzazepine; (R)-8-Chloro-1-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine; (R)-8-chloro-1-methyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine; 1H-3-Benzazepine, 8-chloro-2,3,4,5-tetrahydro-1-methyl-, (1R)-; 616202-92-7; 637E494O0Z; CAS-616202-92-7; CHEBI:65353; CHEMBL360328; DSSTox_CID_28585; DSSTox_GSID_48659; DSSTox_RID_82856; HSDB 8128; NCGC00182550-01; UNII-637E494O0Z
Indication Obesity [ICD11: 5B81] Approved [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 195.69 Topological Polar Surface Area 12
Heavy Atom Count 13 Rotatable Bond Count 0
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 1
Cross-matching ID
PubChem CID
11658860
PubChem SID
16769280 ; 23759570 ; 50076564 ; 56405331 ; 80942818 ; 81044375 ; 92719328 ; 93309628 ; 103443775 ; 104047951 ; 124894047 ; 126620900 ; 126651854 ; 126665802 ; 132608831 ; 135261408 ; 135650530 ; 135723896 ; 135727785 ; 137001355 ; 140812879 ; 144206569 ; 160644926 ; 160827934 ; 163093396 ; 163391282 ; 163620732 ; 163686045 ; 164228304 ; 164761636 ; 170466882 ; 170524167 ; 172087023 ; 175268181 ; 184816814 ; 198993060 ; 204431113 ; 223399569 ; 223565951 ; 223676318 ; 224280758 ; 226531083 ; 247440081 ; 249582104 ; 252438298
ChEBI ID
CHEBI:65353
CAS Number
616202-92-7
TTD Drug ID
D01JMC
Formula
C11H14ClN
Canonical SMILES
CC1CNCCC2=C1C=C(C=C2)Cl
InChI
1S/C11H14ClN/c1-8-7-13-5-4-9-2-3-10(12)6-11(8)9/h2-3,6,8,13H,4-5,7H2,1H3/t8-/m0/s1
InChIKey
XTTZERNUQAFMOF-QMMMGPOBSA-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
1-Hydroxylorcaserin DM006428
77570492
Oxidation - Hydrolyzationn 1 [2]
5-Hydroxylorcaserin DM006429
131769947
Oxidation - Hydrolyzationn 1 [2]
7-Hydroxylorcaserin DM006430
131769956
Oxidation - Hydrolyzationn 1 [2]
Lorcaserin metabolite M5 DM006432
129011591
Unclear 1 [3]
Lorcaserin sulfamate DM006431
72710771
Unclear 1 [3]
N-hydroxylorcaserin DM006427
129011985
Oxidation - Hydrolyzationn 1 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR006906 Lorcaserin N-hydroxylorcaserin Oxidation - Hydrolyzationn CYP1A1 ... [2]
MR006907 Lorcaserin 1-Hydroxylorcaserin Oxidation - Hydrolyzationn CYP3A4 [2]
MR006908 Lorcaserin 5-Hydroxylorcaserin Oxidation - Hydrolyzationn CYP1A1 ... [2]
MR006909 Lorcaserin 7-Hydroxylorcaserin Oxidation - Hydrolyzationn CYP2D6 ... [2]
MR006910 Lorcaserin Lorcaserin sulfamate Unclear Unclear [3]
MR006911 Lorcaserin Lorcaserin metabolite M5 Unclear Unclear [3]
⏷ Show the Full List of 6 MR(s)
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 1A2 (CYP1A2) DME0003 Homo sapiens
CP1A2_HUMAN
1.14.14.1
[2]
Cytochrome P450 2A6 (CYP2A6) DME0005 Homo sapiens
CP2A6_HUMAN
1.14.14.1
[2]
Cytochrome P450 2B6 (CYP2B6) DME0020 Homo sapiens
CP2B6_HUMAN
1.14.14.1
[2]
Cytochrome P450 2D6 (CYP2D6) DME0009 Homo sapiens
CP2D6_HUMAN
1.14.14.1
[2]
Cytochrome P450 2E1 (CYP2E1) DME0013 Homo sapiens
CP2E1_HUMAN
1.14.14.1
[2]
Cytochrome P450 3A4 (CYP3A4) DME0001 Homo sapiens
CP3A4_HUMAN
1.14.14.55
[2]
Dimethylaniline oxidase 1 (FMO1) DME0059 Homo sapiens
FMO1_HUMAN
1.14.13.8
[2]
Mephenytoin 4-hydroxylase (CYP2C19) DME0021 Homo sapiens
CP2CJ_HUMAN
1.14.14.1
[2]
⏷ Show the Full List of 8  DME(s)
References
1 Lorcaserin was approved by FDA. The 2020 official website of the U.S. Food and Drug Administration.
2 Identification of human cytochrome P450 and flavin-containing monooxygenase enzymes involved in the metabolism of lorcaserin, a novel selective human 5-hydroxytryptamine 2C agonist. Drug Metab Dispos. 2012 Apr;40(4):761-71.
3 DrugBank(Pharmacology-Metabolism):Lorcaserin

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