Details of the Drug

General Information of Drug (ID: DM9F4LP)

• Drug Name: BIM-26226
• Synonyms: D-Pentafluorophenylalanyl-L-glutaminyl-L-tryptophyl-L-alanyl-L-valyl-D-alanyl-L-histidyl-L-leucine methyl ester; (D-Pentafluorophenylalanyl6,D-alanyl11)bombesin (6-13) methyl ester

Indication

Disease Entry	ICD 11	Status	REF
Solid tumour/cancer	2A00-2F9Z	Discontinued in Phase 1	[1]

• #Ro5 Violations (Lipinski): 4:
  Molecular Weight (mw); 1075.1
  Logarithm of the Partition Coefficient (xlogp); 2.5
  Rotatable Bond Count (rotbonds); 28
  Hydrogen Bond Donor Count (hbonddonor); 11
  Hydrogen Bond Acceptor Count (hbondacc); 17
• Chemical Identifiers:
  Formula: C49H63F5N12O10
  IUPAC Name: methyl (2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2R)-2-amino-3-(2,3,4,5,6-pentafluorophenyl)propanoyl]amino]-5-oxopentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methylpentanoate
  Canonical SMILES: C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@H](C)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CC(C)C)C(=O)OC)NC(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H](CC4=C(C(=C(C(=C4F)F)F)F)F)N
  InChI: InChI=1S/C49H63F5N12O10/c1-21(2)14-34(49(75)76-7)65-47(73)33(16-26-19-57-20-59-26)63-42(68)23(5)61-48(74)41(22(3)4)66-43(69)24(6)60-46(72)32(15-25-18-58-30-11-9-8-10-27(25)30)64-45(71)31(12-13-35(56)67)62-44(70)29(55)17-28-36(50)38(52)40(54)39(53)37(28)51/h8-11,18-24,29,31-34,41,58H,12-17,55H2,1-7H3,(H2,56,67)(H,57,59)(H,60,72)(H,61,74)(H,62,70)(H,63,68)(H,64,71)(H,65,73)(H,66,69)/t23-,24+,29-,31+,32+,33+,34+,41+/m1/s1
  InChIKey: ZCTCXFYZJYFGAQ-ZZXDJSGYSA-N
• Cross-matching ID:
  PubChem CID: 9833285
  TTD ID: D0Q8DM

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Gastrin-releasing peptide receptor (GRPR)	TTC1MVT	GRPR_HUMAN	Modulator	[2]

Molecular Expression Atlas of This Drug

• The Studied Disease: Solid tumour/cancer
• ICD Disease Classification: 2A00-2F9Z

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Gastrin-releasing peptide receptor (GRPR)	DTT	GRPR	6.26E-01	-0.29	-0.6

References

• [1] Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800004166)
• [2] Effect of the gastrin-releasing peptide antagonist BIM 26226 and lanreotide on an acinar pancreatic carcinoma. Eur J Pharmacol. 1998 Apr 17;347(1):77-86.