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

General Information of Drug (ID: DR1082)
Drug Name
Mibefradil
Synonyms
Mibefradil; Mibefradil (INN); Mibefradil HCl; Mibefradil [INN:BAN]; Posicor; (1S-cis)-2-(2-((3-(1H-Benzimidazol-2-yl)propyl)methylamino)ethyl)-6-fluoro-1,2,3,4-tetrahydro-1-(1-methylethyl)-2-naphthalenyl methoxyacetate; 116644-53-2; 2-(2-((3-(1H-Benzimidazol-2-yl)propyl)methylamino)ethyl)-6-fluoro-1,2,3,4-tetrahydro-1-(1-methylethyl)-2-naphthalenyl methoxyacetate (1S-cis)-; 27B90X776A; AC1L1TOE; C29H38FN3O3; CHEBI:6920; CHEMBL45816; MLS001056800; UNII-27B90X776A; HBNPJJILLOYFJU-VMPREFPWSA-N
Indication Essential hypertension [ICD11: BA00] Phase 4 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 495.6 Topological Polar Surface Area 67.4
Heavy Atom Count 36 Rotatable Bond Count 12
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 6
Cross-matching ID
PubChem CID
60663
PubChem SID
9431 ; 7979984 ; 8186987 ; 11111472 ; 14933121 ; 14933122 ; 26755047 ; 43118024 ; 46504498 ; 47276715 ; 48416277 ; 50064211 ; 50110875 ; 51068792 ; 53788328 ; 53801058 ; 57314055 ; 85788182 ; 90340964 ; 96024905 ; 103229908 ; 104011327 ; 104321323 ; 117509413 ; 124749965 ; 128037075 ; 134338995 ; 135047604 ; 137006402 ; 142794297 ; 160964663 ; 163620961 ; 163686283 ; 176250376 ; 179149650 ; 185998774 ; 198963086 ; 215784885 ; 223440331 ; 223554765 ; 225039582 ; 226424915 ; 242060284 ; 250133489 ; 251971143 ; 252479748 ; 252655656
ChEBI ID
CHEBI:6920
CAS Number
116644-53-2
TTD Drug ID
D0W8XT
Formula
C29H38FN3O3
Canonical SMILES
CC(C)C1C2=C(CCC1(CCN(C)CCCC3=NC4=CC=CC=C4N3)OC(=O)COC)C=C(C=C2)F
InChI
1S/C29H38FN3O3/c1-20(2)28-23-12-11-22(30)18-21(23)13-14-29(28,36-27(34)19-35-4)15-17-33(3)16-7-10-26-31-24-8-5-6-9-25(24)32-26/h5-6,8-9,11-12,18,20,28H,7,10,13-17,19H2,1-4H3,(H,31,32)/t28-,29-/m0/s1
InChIKey
HBNPJJILLOYFJU-VMPREFPWSA-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
Mibefradil metabolite MB1 DM002674
101705731
Unclear 1 [3]
Mibefradil metabolite MC1 DM002673 N. A. Unclear 1 [3]
Mibefradil metabolite ME1 (Ro 61-3306) DM002667
10006586
Unclear 1 [3]
Mibefradil metabolite MG(Ro 40-5966 ) DM002671
9830209
Unclear 1 [3]
Mibefradil metabolite MH1(Ro 44-7481) DM002672
10254635
Unclear 1 [3]
Mibefradil metabolite MK(Ro 61-0937 ) DM002669
10390472
Unclear 1 [3]
Mibefradil metabolite MB3 DM002668 N. A. Unclear 2 [3]
Mibefradil metabolite ME2 DM002670 N. A. Unclear 2 [3]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR001677 Mibefradil Mibefradil metabolite ME1 (Ro 61-3306) Unclear Unclear [3]
MR001678 Mibefradil Mibefradil metabolite MK(Ro 61-0937 ) Unclear Unclear [3]
MR001679 Mibefradil Mibefradil metabolite MG(Ro 40-5966 ) Unclear Unclear [3]
MR001680 Mibefradil Mibefradil metabolite MH1(Ro 44-7481) Unclear Unclear [3]
MR001681 Mibefradil Mibefradil metabolite MC1 Unclear Unclear [3]
MR001682 Mibefradil Mibefradil metabolite MB1 Unclear Unclear [3]
MR001674 Mibefradil metabolite ME1 (Ro 61-3306) Mibefradil metabolite MB3 Unclear Unclear [3]
MR001676 Mibefradil metabolite MG(Ro 40-5966 ) Mibefradil metabolite ME2 Unclear Unclear [3]
MR001675 Mibefradil metabolite MK(Ro 61-0937 ) Mibefradil metabolite ME2 Unclear Unclear [3]
⏷ Show the Full List of 9 MR(s)
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 Mibefradil related terms.
2 Effect of mibefradil on CYP3A4 in vivo. J Clin Pharmacol. 2003 Oct;43(10):1091-100.
3 Clinical pharmacokinetics of mibefradil. Clin Pharmacokinet. 1998 Dec;35(6):405-23.

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