Bombesin

DRACPC ID  DRACPC0078

Active Ingredients   Bombesin

Description  A tetradecapeptide originally obtained from the skins of toads Bombina bombina and B. variegata. It is also an endogenous neurotransmitter in many animals including mammals. Bombesin affects vascular and other smooth muscle, gastric secretion, and renal circulation and function.

Synonyms  Bombesin

Type  Small Molecule

Disease  Prostate Cancer

Classification

  

Peptide and derivative

Structure Information


Molecular Formula  C71H110N24O18S

Molecular Weight  1619.9

Active Sequence  XQRLGNQWAVGHLM

Sequence Length  14

Modification  X=Pyr, N-terminal NH2

Structure

 

Show IUPAC/InChI/SMILES

IUPAC Name  (2S)-2-[(2S)-2-{2-[(2S)-2-[(2S)-5-carbamimidamido-2-[(2S)-4-carbamoyl-2-{[(2S)-5-oxopyrrolidin-2-yl]formamido}butanamido]pentanamido]-4-methylpentanamido]acetamido}-3-carbamoylpropanamido]-N-[(1S)-1-{[(1S)-1-{[(1S)-1-[({[(1S)-1-{[(1S)-1-{[(1S)-1-carbamoyl-3-(methylsulfanyl)propyl]carbamoyl}-3-methylbutyl]carbamoyl}-2-(1H-imidazol-4-yl)ethyl]carbamoyl}methyl)carbamoyl]-2-methylpropyl]carbamoyl}ethyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]pentanediamide

InChI  InChI=1S/C71H110N24O18S/c1-34(2)24-47(92-62(105)43(14-11-22-79-71(76)77)89-64(107)45(15-18-52(72)96)90-63(106)44-17-20-55(99)85-44)61(104)81-31-56(100)87-51(28-54(74)98)69(112)91-46(16-19-53(73)97)65(108)94-49(26-38-29-80-41-13-10-9-12-40(38)41)66(109)84-37(7)60(103)95-58(36(5)6)70(113)82-32-57(101)86-50(27-39-30-78-33-83-39)68(111)93-48(25-35(3)4)67(110)88-42(59(75)102)21-23-114-8/h9-10,12-13,29-30,33-37,42-51,58,80H,11,14-28,31-32H2,1-8H3,(H2,72,96)(H2,73,97)(H2,74,98)(H2,75,102)(H,78,83)(H,81,104)(H,82,113)(H,84,109)(H,85,99)(H,86,101)(H,87,100)(H,88,110)(H,89,107)(H,90,106)(H,91,112)(H,92,105)(H,93,111)(H,94,108)(H,95,103)(H4,76,77,79)/t37-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,58-/m0/s1

InChI_Key QXZBMSIDSOZZHK-DOPDSADYSA-N

SMILES  NC(CC[C@H](NC([C@@H](NC(CNC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](N1)CCC1=O)=O)CCC(N)=O)=O)CCCNC(N)=N)=O)CC(C)C)=O)=O)CC(N)=O)=O)C(N[C@H](C(N[C@@H](C)C(N[C@H](C(NCC(N[C@@H](CC2=CN=CN2)C(N[C@H](C(N[C@H](C(N)=O)CCSC)=O)CC(C)C)=O)=O)=O)C(C)C)=O)=O)CC3=CNC4=CC=CC=C43)=O)=O

External Codes


PubChem CID  16201612

DrugBank Accession Number  DB11724

NCI Thesaurus Code  C315  

UNII  PX9AZU7QPK   GSRS

CAS  31362-50-2 



Drug approval


Drug indication
    Investigated for use/treatment in Prostate Cancer.

    The drug is not approved.

ClinicalTrials.gov Identifier Title Condition or disease Phase Purpose
NCT02440308 68Ga-DOTA-Bombesin PET/MRI in the Evaluation of Patients With Prostate Cancer: A Feasibility Study Prostate Carcinoma Phase 2 Diagnostic
NCT03724253 Phase II Study of Preliminary Diagnostic Performance of [68Ga]-NeoBOMB1 in Adult Patients With Malignancies Known to Overexpress Gastrin Releasing Peptide Receptor (GRPR) Breast Cancer; Prostate Cancer; Colorectal Cancer; Non Small Cell Lung Cancer; Small Cell Lung Cancer Phase 2 Diagnostic

    More clinical information is obtained from ClinicalTrials.gov.





DRACP is developed by Dr.Zheng's team.