Drug General Information
Drug ID
D0H5IZ
Former ID
DNCL002389
Drug Name
Etirinotecan pegol
Synonyms
NKTR-102
Drug Type
Small molecular drug
Indication Metastatic breast cancer [ICD10:C50] Phase 3 [523725]
Company
Nektar Therapeutics
Structure
Download
2D MOL

3D MOL

Formula
C169H196F12N20O48
Canonical SMILES
CCC1=C2C=C(C=CC2=NC3=C1CN4C3=CC5=C(C4=O)COC(=O)C5(CC)OC<br />(=O)CNC(=O)COCCOCC(COCCOCC(=O)NCC(=O)OC6(C7=C(COC6=O)C(<br />=O)N8CC9=C(C8=C7)N=C1C=CC(=CC1=C9CC)OC(=O)N1CCC(CC1)N1C<br />CCCC1)CC)(COCCOCC(=O)NCC(=O)OC1(C2=C(COC1=O)C(=O)N1CC3=<br />C(C1=C2)N=C1C=CC(=CC1=C3CC)OC(=O)N1CCC(CC1)N1CCCCC1)CC)<br/>COCCOCC(=O)NCC(=O)OC1(C2=C(COC1=O)C(=O)N1CC3=C(C1=C2)N=<br />C1C=CC(=CC1=C3CC)OC(=O)N1CCC(CC1)N1CCCCC1)CC)OC(=O)N1CC<br />C(CC1)N1CCCCC1.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O.C(=O)(<br />C(F)(F)F)O.C(=O)(C(F)(F)F)O
InChI
1S/C161H192N20O40.4C2HF3O2/c1-9-105-109-69-101(214-153(198)174-53-37-97(38-54-174)170-45-21-17-22-46-170)29-33-125(109)166-141-113(105)81-178-129(141)73-121-117(145(178)190)85-210-149(194)158(121,13-5)218-137(186)77-162-133(182)89-202-61-65-206-93-157(94-207-66-62-203-90-134(183)163-78-138(187)219-159(14-6)122-74-130-142-114(82-179(130)146(191)118(122)86-211-150(159)195)106(10-2)110-70-102(30-34-126(110)167-142)215-154(199)175-55-39-98(40-56-175)171-47-23-18-24-48-171,95-208-67-63-204-91-135(184)164-79-139(188)220-160(15-7)123-75-131-143-115(83-180(131)147(192)119(123)87-212-151(160)196)107(11-3)111-71-103(31-35-127(111)168-143)216-155(200)176-57-41-99(42-58-176)172-49-25-19-26-50-172)96-209-68-64-205-92-136(185)165-80-140(189)221-161(16-8)124-76-132-144-116(84-181(132)148(193)120(124)88-213-152(161)197)108(12-4)112-72-104(32-36-128(112)169-144)217-156(201)177-59-43-100(44-60-177)173-51-27-20-28-52-173;4*3-2(4,5)1(6)7/h29-36,69-76,97-100H,9-28,37-68,77-96H2,1-8H3,(H,162,182)(H,163,183)(H,164,184)(H,165,185);4*(H,6,7)
InChIKey
TZHBNIXUFPZBPT-UHFFFAOYSA-N
PubChem Compound ID
PubChem Substance ID
Target and Pathway
Target(s) Toposisomerase-1 Target Info Inhibitor [532960]
NetPath Pathway IL2 Signaling Pathway
PANTHER Pathway DNA replication
Pathway Interaction Database Caspase Cascade in Apoptosis
WikiPathways Integrated Pancreatic Cancer Pathway
References
Ref 523725ClinicalTrials.gov (NCT01492101) The BEACON Study (Breast Cancer Outcomes With NKTR-102). U.S. National Institutes of Health.
Ref 532960Nonclinical pharmacokinetics and activity of etirinotecan pegol (NKTR-102), a long-acting topoisomerase 1 inhibitor, in multiple cancer models. Cancer Chemother Pharmacol. 2014 Dec;74(6):1125-37.

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