Drug Information

Drug General Information
Drug ID
D0H6LR
Former ID
DNC008679
Drug Name
PTR-3046
Indication Discovery agent Investigative [529856]
Structure
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2D MOL

3D MOL
Formula
C59H77N11O10
Canonical SMILES
CC(C)C1C(=O)N(CCCC(=O)NCCNC(C(=O)NC(C(=O)NC(C(=O)NC(C(=<br />O)N1)CCCCN)CC2=CNC3=CC=CC=C32)CC4=CC=C(C=C4)O)CC5=CC=CC<br />=C5)C(CC6=CC=CC=C6)C(=O)NC(C(C)O)C(=O)N
InChI
1S/C59H77N11O10/c1-36(2)51-59(80)70(49(33-39-17-8-5-9-18-39)58(79)69-52(37(3)71)53(61)74)30-14-22-50(73)63-29-28-62-46(31-38-15-6-4-7-16-38)55(76)66-47(32-40-23-25-42(72)26-24-40)56(77)67-48(34-41-35-64-44-20-11-10-19-43(41)44)57(78)65-45(54(75)68-51)21-12-13-27-60/h4-11,15-20,23-26,35-37,45-49,51-52,62,64,71-72H,12-14,21-22,27-34,60H2,1-3H3,(H2,61,74)(H,63,73)(H,65,78)(H,66,76)(H,67,77)(H,68,75)(H,69,79)/t37-,45+,46+,47+,48-,49+,51+,52+/m1/s1
InChIKey
LRUHWPFUOBQIRY-OHMZANSPSA-N
PubChem Compound ID
9833348
Target and Pathway
Target(s) Somatostatin receptor type 5 Target Info Inhibitor [529856]
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 GPCRs, Class A Rhodopsin-like
Peptide GPCRs
GPCR ligand binding
GPCR downstream signaling
References
Ref 529856J Med Chem. 2009 Jan 8;52(1):95-104.Highly potent 4-amino-indolo[2,3-c]azepin-3-one-containing somatostatin mimetics with a range of sst receptor selectivities.
Ref 529856J Med Chem. 2009 Jan 8;52(1):95-104.Highly potent 4-amino-indolo[2,3-c]azepin-3-one-containing somatostatin mimetics with a range of sst receptor selectivities.

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