Drug Information

Drug General Information
Drug ID
D0R4IS
Former ID
DNC004729
Drug Name
Des-AA1,2,5-[(NalphaMe)Cys3,D-Nal8,IAmp9]SRIF
Indication Discovery agent Investigative [527384]
Structure
Download
2D MOL

3D MOL
Formula
C77H99N13O15S2
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)N2)C<br />C3=CC4=CC=CC=C4C=C3)CC5=CC=CC=C5)CC6=CC=CC=C6)CCCCN)NC)<br />C(=O)O)CO)C(C)O)CC7=CC=CC=C7)C(C)O
InChI
1S/C77H99N13O15S2/c1-45(2)80-41-52-30-28-51(29-31-52)39-59-71(98)89-65(46(3)92)75(102)86-60(38-50-23-13-8-14-24-50)72(99)90-66(47(4)93)76(103)87-62(42-91)73(100)88-64(77(104)105)44-107-106-43-63(79-5)74(101)81-56(27-17-18-34-78)67(94)82-57(36-48-19-9-6-10-20-48)68(95)83-58(37-49-21-11-7-12-22-49)69(96)85-61(70(97)84-59)40-53-32-33-54-25-15-16-26-55(54)35-53/h6-16,19-26,28-33,35,45-47,56-66,79-80,91-93H,17-18,27,34,36-44,78H2,1-5H3,(H,81,101)(H,82,94)(H,83,95)(H,84,97)(H,85,96)(H,86,102)(H,87,103)(H,88,100)(H,89,98)(H,90,99)(H,104,105)/t46-,47-,56-,57-,58+,59+,60+,61+,62+,63-,64+,65-,66-/m1/s1
InChIKey
ZXYYWYGCHOCUCC-TWURSWGVSA-N
PubChem Compound ID
44388131
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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