Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D06FTK
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| Former ID |
DNC005787
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| Drug Name |
Cyclo(1,12)PenIYDTKGKNVLC-OH
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
 |
Download2D MOL |
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| Formula |
C60H99N15O18S2
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| Canonical SMILES |
CCC(C)C1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CSSC(C(C(=O)N1)N)(C)C)C(=O)O)CC(C)C)C(C)C)CC(=O)N)CCCCN)CCCCN)C(C)O)CC(=O)O)CC2=CC=C(C=C2)O
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| InChI |
1S/C60H99N15O18S2/c1-10-31(6)46-56(89)71-38(24-33-17-19-34(77)20-18-33)52(85)69-40(26-44(80)81)54(87)75-47(32(7)76)57(90)67-35(15-11-13-21-61)49(82)65-27-43(79)66-36(16-12-14-22-62)50(83)68-39(25-42(63)78)53(86)73-45(30(4)5)55(88)70-37(23-29(2)3)51(84)72-41(59(92)93)28-94-95-60(8,9)48(64)58(91)74-46/h17-20,29-32,35-41,45-48,76-77H,10-16,21-28,61-62,64H2,1-9H3,(H2,63,78)(H,65,82)(H,66,79)(H,67,90)(H,68,83)(H,69,85)(H,70,88)(H,71,89)(H,72,84)(H,73,86)(H,74,91)(H,75,87)(H,80,81)(H,92,93)/t31-,32+,35-,36-,37+,38+,39+,40-,41+,45-,46-,47+,48?/m0/s1
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| InChIKey |
PADTZYYZHQSVHY-JPKRNNDPSA-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 | Structure-activity studies of peptides from the "hot-spot" region of human CD2 protein: development of peptides for immunomodulation. J Med Chem. 2005 Oct 6;48(20):6236-49. | |||
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