Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D06CVN
|
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| Former ID |
DNCL002089
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| Drug Name |
EC0489
|
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| Drug Type |
Small molecular drug
|
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| Indication | Solid tumours [ICD9: 140-199, 210-229; ICD10:C00-D48] | Phase 1 | [522597] | ||
| Company |
Endocyte
|
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| Structure |
|
Download2D MOL |
|||
| Formula |
C111H156N22O43S2
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| 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
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| 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
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| InChIKey |
PHCAWPRQWLBYTH-HCDHKMFTSA-N
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| PubChem Compound ID | |||||
| PubChem Substance ID | |||||
| Target and Pathway | |||||
| Target(s) | Folate receptor alpha | Target Info | Modulator | [550438] | |
| KEGG Pathway | Endocytosis | ||||
| WikiPathways | Folate Metabolism | ||||
| References | |||||
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