Drug Information

Drug General Information
Drug ID
D0BE3D
Former ID
DNC004745
Drug Name
Des-AA1,2,5-[D-Trp8,IAmp9,Tyr11]Cbm-SRIF
Indication Discovery agent Investigative [527384]
Structure
Download
2D MOL

3D MOL
Formula
C74H97N15O15S2
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=CNC4=CC=CC=C43)CC5=CC=CC=C5)CC6=CC=CC=C6)CCCCN)N)C(=<br />O)N)CO)C(C)O)CC7=CC=C(C=C7)O)C(C)O
InChI
1S/C74H97N15O15S2/c1-41(2)78-36-48-24-22-46(23-25-48)33-57-70(100)88-62(42(3)91)73(103)85-58(34-47-26-28-50(93)29-27-47)71(101)89-63(43(4)92)74(104)86-60(38-90)72(102)87-61(64(77)94)40-106-105-39-52(76)65(95)80-54(21-13-14-30-75)66(96)81-55(31-44-15-7-5-8-16-44)67(97)82-56(32-45-17-9-6-10-18-45)68(98)84-59(69(99)83-57)35-49-37-79-53-20-12-11-19-51(49)53/h5-12,15-20,22-29,37,41-43,52,54-63,78-79,90-93H,13-14,21,30-36,38-40,75-76H2,1-4H3,(H2,77,94)(H,80,95)(H,81,96)(H,82,97)(H,83,99)(H,84,98)(H,85,103)(H,86,104)(H,87,102)(H,88,100)(H,89,101)/t42-,43-,52-,54-,55-,56+,57+,58+,59+,60+,61+,62-,63-/m1/s1
InChIKey
CLYXKNIFFVWQGI-HXVVHKOFSA-N
PubChem Compound ID
44388092
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.