LANOPEPDEN


Synonyms	GSK-1322322B GSK1322322 GSK1322322B Gsk-1322322 Gsk-322 Lanopepden
Status
Molecule Category	UNKNOWN
UNII	12M6KFD07E
EPA CompTox	DTXSID00151006


Active Pharmaceutical Ingredients Bioactive chemicals	Exact Similarity SubStructure	Threshold (%) >= 70

Structure


InChI Key	SWHNZGMQMGFQGW-MSOLQXFVSA-N
Smiles	Cc1nc(NNC(=O)[C@H](CC2CCCC2)CN(O)C=O)c(F)c(N2CCN3CCOC[C@@H]3C2)n1
InChI	InChI=1S/C22H34FN7O4/c1-15-24-20(19(23)21(25-15)29-7-6-28-8-9-34-13-18(28)12-29)26-27-22(32)17(11-30(33)14-31)10-16-4-2-3-5-16/h14,16-18,33H,2-13H2,1H3,(H,27,32)(H,24,25,26)/t17-,18+/m1/s1

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C22H34FN7O4
Molecular Weight	479.56
AlogP	0.93
Hydrogen Bond Acceptor	9.0
Hydrogen Bond Donor	3.0
Number of Rotational Bond	9.0
Polar Surface Area	123.16
Molecular species	NEUTRAL
Aromatic Rings	1.0
Heavy Atoms	34.0

Assay Description	Organism	Bioactivity
Inhibition of Staphylococcus aureus PDF by absorbance detection assay	Staphylococcus aureus	12.0 nM
Inhibition of Haemophilus influenzae PDF by absorbance detection assay	Haemophilus influenzae	3.0 nM
Inhibition of Streptococcus pneumoniae PDF by absorbance detection assay	Streptococcus pneumoniae	3.0 nM

Cross References

Resources	Reference
ChEMBL	CHEMBL3301608
DrugBank	DB11912
FDA SRS	12M6KFD07E
PubChem	52918384
SureChEMBL	SCHEMBL1189985

CONTENTS


PREMIER has received funding from the Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information this manuscript contains. Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

PREMIER has received funding from the Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information this manuscript contains.

Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).