Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D05MJG
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| Former ID |
DNC004817
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| Drug Name |
E[c(RGDyK)]2
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| Synonyms |
E[c(RGDyK)]2; CHEMBL414385
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
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Download2D MOL |
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| Formula |
C62H91N19O20
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| Canonical SMILES |
C1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CCCN=C(N)N)CCCCNC(=O)CCC(C(=O)NCCCCC2C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)N2)CC3=CC=C(C=C3)O)CC(=O)O)CCCN=C(N)N)NC(=O)CCO)CC4=CC=C(C=C4)O)CC(=O)O
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| InChI |
1S/C62H91N19O20/c63-61(64)69-24-5-9-37-53(94)71-31-48(87)74-44(29-50(89)90)59(100)80-42(27-33-11-15-35(83)16-12-33)57(98)78-39(55(96)76-37)7-1-3-22-67-46(85)20-19-41(73-47(86)21-26-82)52(93)68-23-4-2-8-40-56(97)77-38(10-6-25-70-62(65)66)54(95)72-32-49(88)75-45(30-51(91)92)60(101)81-43(58(99)79-40)28-34-13-17-36(84)18-14-34/h11-18,37-45,82-84H,1-10,19-32H2,(H,67,85)(H,68,93)(H,71,94)(H,72,95)(H,73,86)(H,74,87)(H,75,88)(H,76,96)(H,77,97)(H,78,98)(H,79,99)(H,80,100)(H,81,101)(H,89,90)(H,91,92)(H4,63,64,69)(H4,65,66,70)/t37-,38-,39-,40?,41?,42+,43+,44-,45-/m1/s1
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| InChIKey |
ACEBGKIPKRNNIW-JMIOTQLUSA-N
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| PubChem Compound ID | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Synthesis and biological evaluation of dimeric RGD peptide-paclitaxel conjugate as a model for integrin-targeted drug delivery. J Med Chem. 2005 Feb 24;48(4):1098-106. | |||
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