Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D0H5IZ
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| Former ID |
DNCL002389
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| Drug Name |
Etirinotecan pegol
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| Synonyms |
NKTR-102
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| Drug Type |
Small molecular drug
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| Indication | Metastatic breast cancer [ICD10:C50] | Phase 3 | [523725] | ||
| Company |
Nektar Therapeutics
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| Structure |
|
Download2D MOL |
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| Formula |
C169H196F12N20O48
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| 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
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| 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)
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| InChIKey |
TZHBNIXUFPZBPT-UHFFFAOYSA-N
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| 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 | |||||
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