TTD Drug ID: DNC005597

Drug Information
Name	Ala11-SRIF-14-amide
Indication	Not Available			Experimental
Structure	Click to save drug structure in 3D MOL format Click to save drug structure in 2D MOL format
InChI	1S/C70H101N19O18S2/c1-36(73)59(96)77-32-55(94)79-53-35-109-108-34 -52(58(75)95)87-67(104)51(33-90)86-70(107)57(39(4)92)88-60(97)37( 2)78-69(106)56(38(3)91)89-62(99)46(24-14-16-26-72)80-65(102)49(29 -42-31-76-44-22-12-11-21-43(42)44)84-64(101)48(28-41-19-9-6-10-20 -41)82-63(100)47(27-40-17-7-5-8-18-40)83-66(103)50(30-54(74)93)85 -61(98)45(81-68(53)105)23-13-15-25-71/h5-12,17-22,31,36-39,45-53, 56-57,76,90-92H,13-16,23-30,32-35,71-73H2,1-4H3,(H2,74,93)(H2,75, 95)(H,77,96)(H,78,106)(H,79,94)(H,80,102)(H,81,105)(H,82,100)(H,8 3,103)(H,84,101)(H,85,98)(H,86,107)(H,87,104)(H,88,97)(H,89,99)/t 36-,37-,38?,39?,45-,46+,47-,48+,49-,50+,51-,52-,53-,56+,57+/m0/s1
InChIKey	DWTUVBZITHQYDR-CFWAKGAOSA-N
Canonical SMILES	CC1C(=O)NC(C(=O)NC(C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC (C(=O)NC(C(=O)NC(C(=O)N1)C(C)O)CCCCN)CC2=CNC3=CC=CC=C32)CC4=CC=CC=C4) CC5=CC=CC=C5)CC(=O)N)CCCCN)NC(=O)CNC(=O)C(C)N)C(=O)N)CO)C(C)O
Isomeric SMILES	C[C@H]1C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(= O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@@H] (C(=O)N1)C(C)O)CCCCN)CC2=CNC3=CC=CC=C32)CC4=CC=CC=C4)CC5=CC=CC=C5)CC(=O) N)CCCCN)NC(=O)CNC(=O)[C@H](C)N)C(=O)N)CO)C(C)O
Target	Somatostatin receptor 2			Inhibitor	[1]
	Somatostatin receptor 4			Inhibitor	[1]
Ref 1	J Med Chem. 2005 Jun 16;48(12):4025-30.Replacement of Phe6, Phe7, and Phe11 of D-Trp8-somatostatin-14 with L-pyrazinylalanine. Predicted and observed effects on binding affinities at hSST2 and hSST4. An unexpected effect of the chirality of Trp8 on NMR spectra in methanol. To Reference

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