BI 665915   

GtoPdb Ligand ID: 9716

Synonyms: BI-665915 | compound 69 [PMID: 25671290] [1]
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
Click here for structure editor
Physico-chemical Properties
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
SMILES / InChI / InChIKey
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)
InChI Key QGPXEIMWTKWHMH-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
IUPAC Name
2-[4-(3-{1-[4-(2-aminopyrimidin-5-yl)phenyl]-1-cyclopropylethyl}-1,2,4-oxadiazol-5-yl)-1H-pyrazol-1-yl]-N,N-dimethylacetamide
Synonyms
BI-665915 | compound 69 [PMID: 25671290] [1]
Database Links
GtoPdb PubChem SID 348353675
PubChem CID 66765019
Search Google for chemical match using the InChIKey QGPXEIMWTKWHMH-UHFFFAOYSA-N
Search Google for chemicals with the same backbone QGPXEIMWTKWHMH
Search UniChem for chemical match using the InChIKey QGPXEIMWTKWHMH-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone QGPXEIMWTKWHMH