Drug Information

Drug General Information
Drug ID
D06JWT
Former ID
DNC004740
Drug Name
Des-AA1,2,5-[D-Trp8,IAmp9,(NalphaMe)Thr12]SRIF
Indication Discovery agent Investigative [527384]
Structure
Download
2D MOL

3D MOL
Formula
C75H98N14O15S2
Canonical SMILES
CC(C)NCC1=CC=C(C=C1)CC2C(=O)NC(C(=O)NC(C(=O)N(C(C(=O)NC<br />(C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2)<br />CC3=CNC4=CC=CC=C43)CC5=CC=CC=C5)CC6=CC=CC=C6)CCCCN)N)C(<br />=O)O)CO)C(C)O)C)CC7=CC=CC=C7)C(C)O
InChI
1S/C75H98N14O15S2/c1-43(2)78-38-50-30-28-49(29-31-50)35-58-70(98)88-63(44(3)91)72(100)85-60(36-48-23-13-8-14-24-48)74(102)89(5)64(45(4)92)73(101)86-61(40-90)71(99)87-62(75(103)104)42-106-105-41-53(77)65(93)80-55(27-17-18-32-76)66(94)81-56(33-46-19-9-6-10-20-46)67(95)82-57(34-47-21-11-7-12-22-47)68(96)84-59(69(97)83-58)37-51-39-79-54-26-16-15-25-52(51)54/h6-16,19-26,28-31,39,43-45,53,55-64,78-79,90-92H,17-18,27,32-38,40-42,76-77H2,1-5H3,(H,80,93)(H,81,94)(H,82,95)(H,83,97)(H,84,96)(H,85,100)(H,86,101)(H,87,99)(H,88,98)(H,103,104)/t44-,45-,53-,55-,56-,57+,58+,59+,60+,61+,62+,63-,64-/m1/s1
InChIKey
YZXQZTRDHNBZMS-YNBIXHCXSA-N
PubChem Compound ID
44388073
Target and Pathway
Target(s) Somatostatin receptor 1 Target Info Inhibitor [527384]
KEGG Pathway cAMP signaling pathway
Neuroactive ligand-receptor interaction
PANTHER Pathway Heterotrimeric G-protein signaling pathway-Gi alpha and Gs alpha mediated pathway
Heterotrimeric G-protein signaling pathway-Gq alpha and Go alpha mediated pathway
Reactome Peptide ligand-binding receptors
G alpha (i) signalling events
WikiPathways SIDS Susceptibility Pathways
GPCRs, Class A Rhodopsin-like
Peptide GPCRs
GPCR ligand binding
GPCR downstream signaling
References
Ref 527384J Med Chem. 2005 Jan 27;48(2):507-14.Somatostatin receptor 1 selective analogues: 2. N(alpha)-Methylated scan.
Ref 527384J Med Chem. 2005 Jan 27;48(2):507-14.Somatostatin receptor 1 selective analogues: 2. N(alpha)-Methylated scan.

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