Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0TL3X
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| Former ID |
DNC009385
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| Drug Name |
Cyclo(1,10)EIYDPGDDIK
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| Synonyms |
CHEMBL499996
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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 |
C51H75N11O19
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| Canonical SMILES |
CCC(C)C1C(=O)NC(C(=O)NC(C(=O)N2CCCC2C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CCC(=O)O)CCCCN)C(C)CC)CC(=O)O)CC(=O)O)CC(=O)O)CC3=CC=C(C=C3)O
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| InChI |
1S/C51H75N11O19/c1-5-25(3)41-49(79)56-29(10-7-8-18-52)43(73)55-30(16-17-37(65)66)44(74)60-42(26(4)6-2)50(80)58-31(20-27-12-14-28(63)15-13-27)45(75)59-34(23-40(71)72)51(81)62-19-9-11-35(62)48(78)53-24-36(64)54-32(21-38(67)68)46(76)57-33(22-39(69)70)47(77)61-41/h12-15,25-26,29-35,41-42,63H,5-11,16-24,52H2,1-4H3,(H,53,78)(H,54,64)(H,55,73)(H,56,79)(H,57,76)(H,58,80)(H,59,75)(H,60,74)(H,61,77)(H,65,66)(H,67,68)(H,69,70)(H,71,72)/t25-,26-,29-,30-,31-,32+,33-,34-,35-,41-,42-/m0/s1
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| InChIKey |
JDTPYTFDRAQKHK-ZHDLRRBESA-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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