IBD Research Resource Center

BioID	bio3068
Name	TROFINETIDE
ChEMBL ID	CHEMBL197084
Molecular Formula	C13H21N3O6
Molecular Weight	315.33
Molecular Weight (Monoisotopic)	315.143
Type	Small molecule
Max Phase	Phase 4
Target ID	Tar12
Target Name	Toll-like receptor 9 (TLR9)
Synonyms	ACP-2566\|DAYBUE\|NNZ-2566\|TROFINETIDA\|TROFINETIDE
Smiles	C[C@@]1(C(=O)N[C@@H](CCC(=O)O)C(=O)O)CCCN1C(=O)CN
Inchi	InChI=1S/C13H21N3O6/c1-13(5-2-6-16(13)9(17)7-14)12(22)15-8(11(20)21)3-4-10(18)19/h8H,2-7,14H2,1H3,(H,15,22)(H,18,19)(H,20,21)/t8-,13-/m0/s1
Inchi Key	BUSXWGRAOZQTEY-SDBXPKJASA-N
Molecular Species	ACID
Targets	7.0
Bioactivities	23.0
Np Likeness Score	0.26
Records Key	['H-Gly-PMe-Glu-OH (4)', '7', '1', 'GPE', 'GPE (H-Gly-Pro-Glu-OH) (1)', 'TROFINETIDE', 'TROFINETIDE', 'GPE', 'trofinetide', 'trofinetide', 'trofinetide', 'Table 1, C1R12', 'trofinetide', 'trofinetide', 'TROFINETIDE', 'TROFINETIDE']
Records Name	['(S)-2-{[(S)-1-(2-Amino-acetyl)-2-methyl-pyrrolidine-2-carbonyl]-amino}-pentanedioic acid', 'H-Gly-PMe-Glu-OH', 'H-Gly-Pro-Glu-OH', 'Gly-Pro-Glu', '2-{[1-(2-Amino-acetyl)-pyrrolidine-2-carbonyl]-amino}-pentanedioic acid', 'TROFINETIDE', 'TROFINETIDE', 'Gly-L-Pro-L-Glu', 'trofinetide', 'trofinetide', 'trofinetide', 'Gly-Pro-Glu', 'trofinetide', 'trofinetide', 'TROFINETIDE', 'TROFINETIDE']
Withdrawn Flag	False
Orphan	0