Drug Information

Drug General Information
Drug ID
D0FY6N
Former ID
DNC004781
Drug Name
[N40,Pro1,Tyr4]BB
Indication Discovery agent Investigative [527364]
Structure
Download
2D MOL

3D MOL
Formula
C83H130N28O19S
Canonical SMILES
CC(C)CC(C(=O)NC(CCCSC)C(=O)N)NC(=O)C(CC1=CNC=N1)NC(=O)C<br />NC(=O)C(C(C)C)NC(=O)C(C)NC(=O)C(CC2=CNC3=CC=CC=C32)NC(=<br />O)C(CCC(=O)N)NC(=O)C(CC(=O)N)NC(=O)CNC(=O)C(CC4=CC=C(C=<br />C4)O)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCC(=O)N)NC(=O)C5CCCN5C<br />(=O)C(CNCCN)CNCCN
InChI
1S/C83H130N28O19S/c1-44(2)32-58(77(125)103-54(70(89)118)15-11-31-131-6)107-78(126)61(35-50-40-94-43-99-50)101-68(117)42-98-81(129)69(45(3)4)110-71(119)46(5)100-76(124)60(34-48-39-96-53-13-8-7-12-52(48)53)109-75(123)56(21-23-64(86)113)105-79(127)62(36-66(88)115)102-67(116)41-97-72(120)59(33-47-17-19-51(112)20-18-47)108-73(121)55(14-9-27-95-83(90)91)104-74(122)57(22-24-65(87)114)106-80(128)63-16-10-30-111(63)82(130)49(37-92-28-25-84)38-93-29-26-85/h7-8,12-13,17-20,39-40,43-46,49,54-63,69,92-93,96,112H,9-11,14-16,21-38,41-42,84-85H2,1-6H3,(H2,86,113)(H2,87,114)(H2,88,115)(H2,89,118)(H,94,99)(H,97,120)(H,98,129)(H,100,124)(H,101,117)(H,102,116)(H,103,125)(H,104,122)(H,105,127)(H,106,128)(H,107,126)(H,108,121)(H,109,123)(H,110,119)(H4,90,91,95)/t46-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63?,69-/m0/s1
InChIKey
WPAOEAXJLCSDBY-UKYQNQGLSA-N
PubChem Compound ID
44388196
Target and Pathway
Target(s) Gastrin-releasing peptide receptor Target Info Inhibitor [527364]
KEGG Pathway Calcium signaling pathway
Neuroactive ligand-receptor interaction
Reactome Peptide ligand-binding receptors
G alpha (q) signalling events
WikiPathways GPCRs, Class A Rhodopsin-like
Peptide GPCRs
GPCRs, Other
References
Ref 527364J Med Chem. 2005 Jan 13;48(1):100-10.Potent bombesin-like peptides for GRP-receptor targeting of tumors with 99mTc: a preclinical study.
Ref 527364J Med Chem. 2005 Jan 13;48(1):100-10.Potent bombesin-like peptides for GRP-receptor targeting of tumors with 99mTc: a preclinical study.

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