Drug General Information
Drug ID
D06CVN
Former ID
DNCL002089
Drug Name
EC0489
Drug Type
Small molecular drug
Indication Solid tumours [ICD9: 140-199, 210-229; ICD10:C00-D48] Phase 1 [522597]
Company
Endocyte
Structure
Download
2D MOL

3D MOL

Formula
C111H156N22O43S2
Canonical SMILES
CCC1(CC2CC(C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5<br />)C78CCN9C7C(C=CC9)(C(C(C8N6C)(C(=O)NNC(=O)OCCSSCC(C(=O)<br />O)NC(=O)C(CCC(=O)NCC(C(C(C(CO)O)O)O)O)NC(=O)C(CCC(=O)O)<br />NC(=O)C(CCC(=O)NCC(C(C(C(CO)O)O)O)O)NC(=O)C(CCC(=O)O)NC<br />(=O)C(CCC(=O)NCC(C(C(C(CO)O)O)O)O)NC(=O)CCC(C(=O)O)NC(=<br />O)C1=CC=C(C=C1)NCC1=CN=C2C(=N1)C(=O)NC(=N2)N)O)O)CC)OC)<br />C(=O)OC)O
InChI
1S/C111H156N22O43S2/c1-6-107(172)39-52-40-110(104(170)175-5,89-57(29-33-132(46-52)51-107)56-11-8-9-12-60(56)120-89)59-37-58-68(38-75(59)174-4)131(3)101-109(58)31-34-133-32-10-30-108(7-2,100(109)133)102(168)111(101,173)103(169)129-130-106(171)176-35-36-177-178-50-67(99(166)167)126-96(162)63(19-25-78(145)116-45-71(139)85(153)88(156)74(142)49-136)122-95(161)65(22-28-81(149)150)124-93(159)62(18-24-77(144)115-44-70(138)84(152)87(155)73(141)48-135)121-94(160)64(21-27-80(147)148)123-92(158)61(17-23-76(143)114-43-69(137)83(151)86(154)72(140)47-134)119-79(146)26-20-66(98(164)165)125-91(157)53-13-15-54(16-14-53)113-41-55-42-117-90-82(118-55)97(163)128-105(112)127-90/h8-16,30,37-38,42,52,61-67,69-74,83-88,100-102,113,120,134-142,151-156,168,172-173H,6-7,17-29,31-36,39-41,43-51H2,1-5H3,(H,114,143)(H,115,144)(H,116,145)(H,119,146)(H,121,160)(H,122,161)(H,123,158)(H,124,159)(H,125,157)(H,126,162)(H,129,169)(H,130,171)(H,147,148)(H,149,150)(H,164,165)(H,166,167)(H3,112,117,127,128,163)/t52-,61-,62-,63-,64-,65-,66-,67-,69-,70-,71-,72+,73+,74+,83+,84+,85+,86+,87+,88+,100-,101+,102+,107-,108+,109+,110-,111-/m0/s1
InChIKey
PHCAWPRQWLBYTH-HCDHKMFTSA-N
PubChem Compound ID
PubChem Substance ID
Target and Pathway
Target(s) Folate receptor alpha Target Info Modulator [550438]
KEGG Pathway Endocytosis
Reactome COPII (Coat Protein 2) Mediated Vesicle Transport
Cargo concentration in the ER
WikiPathways Folate Metabolism
References
Ref 522597ClinicalTrials.gov (NCT00852189) Study of EC0489 for the Treatment of Refractory or Metastatic Tumors. U.S. National Institutes of Health.
Ref 550438National Cancer Institute Drug Dictionary (drug id 638649).

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