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

General Information of Drug (ID: DR1826)
Drug Name
EZN-2208
Synonyms
Firtecan pegol (USAN/INN); Firtecan pegol [USAN:INN]; WC4978T687; Peg-Sn38; 946062-05-1; D10464; Poly(oxy-1,2-ethanediyl), alpha,alpha',alpha'',alpha'''-(oxydi-3,1,2-propanetriyl)tetrakis(omega-(2-((2-(((4S)- 4,11-diethyl-9-hydroxy-3,4,12,14-tetrahydro-3,14-dioxo-1H-pyrano(3',4':6,7) indolizino(1,2-b)quinolin-4-yl)oxy)-2-oxoethyl)amino)-2-oxoethoxy)-; SCHEMBL13215450; UNII-WC4978T687
Indication Colorectal cancer [ICD11: 2B91] Phase 2 [1]
Structure
3D MOL is unavailable 2D MOL
Pharmaceutical Properties Molecular Weight 2300.3 Topological Polar Surface Area 624
Heavy Atom Count 167 Rotatable Bond Count 54
Hydrogen Bond Donor Count 8 Hydrogen Bond Acceptor Count 41
Cross-matching ID
PubChem CID
59443782
PubChem SID
141021587 ; 162169447 ; 172232557 ; 238214699 ; 248572631
CAS Number
946062-05-1
TTD Drug ID
D05UFP
Formula
C118H122N12O37
Canonical SMILES
CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)C4(CC)OC(=O)CNC(=O)COCCOCC(COCC(COCCOCC(=O)NCC(=O)OC5(C6=C(COC5=O)C(=O)N7CC8=C(C9=C(C=CC(=C9)O)N=C8C7=C6)CC)CC)OCCOCC(=O)NCC(=O)OC3(C4=C(COC3=O)C(=O)N3CC5=C(C6=C(C=CC(=C6)O)N=C5C3=C4)CC)CC)OCCOCC(=O)NCC(=O)OC3(C4=C(COC3=O)C(=O)N3CC5=C(C6=C(C=CC(=C6)O)N=C5C3=C4)CC)CC)C2=NC2=C1C=C(C=C2)O
InChI
1S/C118H122N12O37/c1-9-67-71-33-61(131)17-21-87(71)123-103-75(67)45-127-91(103)37-83-79(107(127)143)53-160-111(147)115(83,13-5)164-99(139)41-119-95(135)57-153-27-25-151-49-65(158-31-29-155-59-97(137)121-43-101(141)166-117(15-7)85-39-93-105-77(47-129(93)109(145)81(85)55-162-113(117)149)69(11-3)73-35-63(133)19-23-89(73)125-105)51-157-52-66(159-32-30-156-60-98(138)122-44-102(142)167-118(16-8)86-40-94-106-78(48-130(94)110(146)82(86)56-163-114(118)150)70(12-4)74-36-64(134)20-24-90(74)126-106)50-152-26-28-154-58-96(136)120-42-100(140)165-116(14-6)84-38-92-104-76(46-128(92)108(144)80(84)54-161-112(116)148)68(10-2)72-34-62(132)18-22-88(72)124-104/h17-24,33-40,65-66,131-134H,9-16,25-32,41-60H2,1-8H3,(H,119,135)(H,120,136)(H,121,137)(H,122,138)/t65?,66?,115-,116-,117-,118-/m0/s1
InChIKey
CXWRXYDTWCBSJF-DPTNTHPESA-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
SN38 DM006862 N. A. Unclear 1 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR007454 EZN-2208 SN38 Unclear CYP3A4 [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 (NCT01036113) A Phase 2 Study of EZN-2208 in Patients With Metastatic Breast Cancer.
2 Phase I dose-escalation study of EZN-2208 (PEG-SN38), a novel conjugate of poly(ethylene) glycol and SN38, administered weekly in patients with advanced cancer. Cancer Chemother Pharmacol. 2013 Jun;71(6):1499-506.

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