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

General Information of Drug (ID: DR1861)
Drug Name
EBP-994
Synonyms
Lonafarnib; Lonafarnib (SCH66336); Lonafarnib [USAN]; Sarasar; Sch 66336; Sch-66336; Sch66336; 193275-84-2; 4-(2-(4-(8-Chloro-3,10-dibromo-6,11-dihydro-5H-benzo-(5,6)-cyclohepta(1,2-b)-pyridin-11(R)-yl)-1-piperidinyl)-2-oxo-ethyl)-1-piperidinecarboxamide; 4-{2-[4-(3,10-DIBROMO-8-CHLORO-6,11-DIHYDRO-5H-BENZO[5,6]CYCLOHEPTA[1,2-B]PYRIDIN-11-YL)PIPERIDIN-1-YL]-2-OXOETHYL}PIPERIDINE-1-CARBOXAMIDE; CHEMBL298734; IOW153004F; UNII-IOW153004F
Indication Progeria [ICD11: LD2B] Phase 2 []
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 638.8 Topological Polar Surface Area 79.5
Heavy Atom Count 36 Rotatable Bond Count 3
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 3
Cross-matching ID
PubChem CID
148195
PubChem SID
535096 ; 828254 ; 7885229 ; 10249840 ; 12015147 ; 14839125 ; 14863416 ; 46225143 ; 46392748 ; 46514799 ; 47206583 ; 50067857 ; 53730874 ; 53790412 ; 57346725 ; 103241637 ; 104418463 ; 109692960 ; 126671481 ; 127339627 ; 127339628 ; 127339629 ; 127735655 ; 134338832 ; 134340513 ; 135105633 ; 135707678 ; 136895225 ; 137100866 ; 137263761 ; 142477936 ; 152159619 ; 152258621 ; 160647456 ; 162011930 ; 162205081 ; 162222422 ; 163884620 ; 164194111 ; 164761622 ; 170558848 ; 174007118 ; 174528153 ; 180372435 ; 186007024 ; 186014446 ; 198959604 ; 198993165 ; 223662989 ; 223704895
ChEBI ID
CHEBI:47097
CAS Number
193275-84-2
TTD Drug ID
D0W4HZ
Formula
C27H31Br2ClN4O2
Canonical SMILES
C1CN(CCC1CC(=O)N2CCC(CC2)C3C4=C(CCC5=C3N=CC(=C5)Br)C=C(C=C4Br)Cl)C(=O)N
InChI
1S/C27H31Br2ClN4O2/c28-20-12-19-2-1-18-13-21(30)14-22(29)24(18)25(26(19)32-15-20)17-5-9-33(10-6-17)23(35)11-16-3-7-34(8-4-16)27(31)36/h12-17,25H,1-11H2,(H2,31,36)/t25-/m1/s1
InChIKey
DHMTURDWPRKSOA-RUZDIDTESA-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
EBP-994 M1 DM006858 N. A. Unclear 1 [1]
EBP-994 M2 DM006859 N. A. Unclear 1 [1]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR013470 EBP-994 EBP-994 M1 Unclear CYP3A4 ... [1]
MR013471 EBP-994 EBP-994 M2 Unclear CYP3A4 ... [1]
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
[1]
Cytochrome P450 3A5 (CYP3A5) DME0012 Homo sapiens
CP3A5_HUMAN
1.14.14.1
[1]
References
1 Identification of human liver cytochrome P450 enzymes responsible for the metabolism of lonafarnib (Sarasar). Drug Metab Dispos. 2006 Apr;34(4):628-35.

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