Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0GC3E
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| Former ID |
DNC009386
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| Drug Name |
Cyclo(1,11)H-ESIYDPGDDIK-OH
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| Synonyms |
CHEMBL525597
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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 |
C54H80N12O21
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| Canonical SMILES |
CCC(C)C1C(=O)NC(CCCCNC(=O)CCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2CCCC2C(=O)NCC(=O)NC(C(=O)NC(C(=O)N1)CC(=O)O)CC(=O)O)CC(=O)O)CC3=CC=C(C=C3)O)C(C)CC)CO)N)C(=O)O
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| InChI |
1S/C54H80N12O21/c1-5-26(3)43-51(83)59-31(54(86)87)10-7-8-18-56-38(69)17-16-30(55)45(77)63-36(25-67)49(81)65-44(27(4)6-2)52(84)61-32(20-28-12-14-29(68)15-13-28)46(78)62-35(23-42(75)76)53(85)66-19-9-11-37(66)50(82)57-24-39(70)58-33(21-40(71)72)47(79)60-34(22-41(73)74)48(80)64-43/h12-15,26-27,30-37,43-44,67-68H,5-11,16-25,55H2,1-4H3,(H,56,69)(H,57,82)(H,58,70)(H,59,83)(H,60,79)(H,61,84)(H,62,78)(H,63,77)(H,64,80)(H,65,81)(H,71,72)(H,73,74)(H,75,76)(H,86,87)/t26-,27-,30-,31-,32-,33-,34-,35-,36-,37-,43-,44-/m0/s1
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| InChIKey |
QVRGILAZQGYCSV-ZGJOQXBESA-N
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | T-cell surface antigen CD2 (CD2) | Target Info | Inhibitor | [1] |
| KEGG Pathway | Cell adhesion molecules (CAMs) | |||
| Hematopoietic cell lineage | ||||
| NetPath Pathway | TCR Signaling Pathway | |||
| IL2 Signaling Pathway | ||||
| Reactome | Cell surface interactions at the vascular wall | |||
| WikiPathways | Cell surface interactions at the vascular wall | |||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Design of beta-hairpin peptides for modulation of cell adhesion by beta-turn constraint. J Med Chem. 2009 Feb 12;52(3):726-36. | |||
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