Bq-123
2-[(3R,6R,9S,12R,15S)-6-(1H-indol-3-ylmethyl)-9-(2-methylpropyl)-2,5,8,11,14-pentaoxo-12-propan-2-yl-1,4,7,10,13-pentazabicyclo[13.3.0]octadecan-3-yl]acetic acid
Molecular Identity
Bq-123
2-[(3R,6R,9S,12R,15S)-6-(1H-indol-3-ylmethyl)-9-(2-methylpropyl)-2,5,8,11,14-pentaoxo-12-propan-2-yl-1,4,7,10,13-pentazabicyclo[13.3.0]octadecan-3-yl]acetic acid
PubChem CID: 443289
BQ 123 is a cyclic peptide.
2D Structure
Properties
C31H42N6O7
Molecular Formula
610.70
Molecular Weight
g/mol
610.3115
Exact Mass
Da
2.2
XLogP
Drug-like (Lipinski: < 5)
190
TPSA
May have limited oral absorption
6
H-Bond Donors
7
H-Bond Acceptors
1110
Complexity
SMILES
Canonical SMILES
SMILES: CC(C)CC1C(=O)NC(C(=O)NC(C(=O)N2CCCC2C(=O)NC(C(=O)N1)C(C)C)CC(=O)O)CC3=CNC4=CC=CC=C43Isomeric SMILES
SMILES: CC(C)C[C@H]1C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](C(=O)N1)C(C)C)CC(=O)O)CC3=CNC4=CC=CC=C43Synonyms(20)
BQ-123136553-81-6BQ123Cyclo(D-trp-D-asp-pro-D-val-leu)BQ 123cyclo(Trp-Asp-Pro-Val-Leu)S2A8YZM151DTXSID70929476cyclo[D-Trp-D-Asp-Pro-D-Val-Leu]2-((3R,6R,9S,12R,15S)-6-(1H-indol-3-ylmethyl)-9-isobutyl-12-isopropyl-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentazabicyclo(13.3.0)octadecan-3-yl)acetic acid2-[(3R,6R,9S,12R,15S)-6-(1H-indol-3-ylmethyl)-9-isobutyl-12-isopropyl-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentazabicyclo[13.3.0]octadecan-3-yl]acetic acidRefChem:121190DTXCID4013582242-((3S,6R,9S,12R,15S)-6-(1H-indol-3-ylmethyl)-9-(2-methylpropyl)-2,5,8,11,14-pentaoxo-12-propan-2-yl-1,4,7,10,13-pentazabicyclo(13.3.0)octadecan-3-yl)acetic acid2-((3R,6S,9R,12R,17aS)-9-((1H-indol-3-yl)methyl)-6-isobutyl-3-isopropyl-1,4,7,10,13-pentaoxohexadecahydro-1H-pyrrolo[1,2-a][1,4,7,10,13]pentaazacyclopentadecin-12-yl)acetic acid
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Bq-123
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