BI 665915   Click here for help

GtoPdb Ligand ID: 9716

Synonyms: BI-665915 | compound 69 [PMID: 25671290] [1]
Immunopharmacology Ligand
Compound class: Synthetic organic
Comment: BI 665915 is a FLAP (5-lipoxygenase activating protein) inhibitor [1].
This ligand is one of the compounds available from Boehringer Ingelheim's opnMe molecular library.
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 8
Topological polar surface area 128.85
Molecular weight 458.22
XLogP 2.94
No. Lipinski's rules broken 0
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Canonical SMILES O=C(N(C)C)Cn1ncc(c1)c1onc(n1)C(c1ccc(cc1)c1cnc(nc1)N)(C1CC1)C
Isomeric SMILES O=C(N(C)C)Cn1ncc(c1)c1onc(n1)C(c1ccc(cc1)c1cnc(nc1)N)(C1CC1)C
InChI InChI=1S/C24H26N8O2/c1-24(19-8-9-19,18-6-4-15(5-7-18)16-10-26-23(25)27-11-16)22-29-21(34-30-22)17-12-28-32(13-17)14-20(33)31(2)3/h4-7,10-13,19H,8-9,14H2,1-3H3,(H2,25,26,27)
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
Synonyms Click here for help
BI-665915 | compound 69 [PMID: 25671290] [1]
Database Links Click here for help
GtoPdb PubChem SID 348353675
PubChem CID 66765019
Search Google for chemical match using the InChIKey QGPXEIMWTKWHMH-UHFFFAOYSA-N
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UniChem Compound Search for chemical match using the InChIKey QGPXEIMWTKWHMH-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey QGPXEIMWTKWHMH-UHFFFAOYSA-N