Drug Information

Drug General Information
Drug ID
D0I9ME
Former ID
DNC004744
Drug Name
Des-AA1,2,5-[D-Trp8,(NalphaMe)IAmp9,Tyr11]SRIF
Indication Discovery agent Investigative [527384]
Structure
Download
2D MOL

3D MOL
Formula
C75H98N14O16S2
Canonical SMILES
CC(C)NCC1=CC=C(C=C1)CC2C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(<br />C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2C)<br />CC3=CNC4=CC=CC=C43)CC5=CC=CC=C5)CC6=CC=CC=C6)CCCCN)N)C(<br />=O)O)CO)C(C)O)CC7=CC=C(C=C7)O)C(C)O
InChI
1S/C75H98N14O16S2/c1-42(2)78-37-49-25-23-48(24-26-49)35-62-71(100)88-64(44(4)92)72(101)83-58(34-47-27-29-51(93)30-28-47)69(98)87-63(43(3)91)73(102)85-60(39-90)70(99)86-61(75(104)105)41-107-106-40-53(77)65(94)80-55(22-14-15-31-76)66(95)81-56(32-45-16-8-6-9-17-45)67(96)82-57(33-46-18-10-7-11-19-46)68(97)84-59(74(103)89(62)5)36-50-38-79-54-21-13-12-20-52(50)54/h6-13,16-21,23-30,38,42-44,53,55-64,78-79,90-93H,14-15,22,31-37,39-41,76-77H2,1-5H3,(H,80,94)(H,81,95)(H,82,96)(H,83,101)(H,84,97)(H,85,102)(H,86,99)(H,87,98)(H,88,100)(H,104,105)/t43-,44-,53-,55-,56-,57+,58+,59+,60+,61+,62+,63-,64-/m1/s1
InChIKey
HLFGUCDHVNBZCJ-SQPHWWHVSA-N
PubChem Compound ID
44388074
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.

If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.