Molecule

cyclo(phe-phe)

AlkaPlorer ID: AK015339

Synonym: 'cyclo(Phe-Phe)'

IUPAC Name: (3S,6S)-3,6-dibenzylpiperazine-2,5-dione

Structure

SMILES: O=C1N[C@@H](CC2=CC=CC=C2)C(=O)N[C@H]1CC1=CC=CC=C1

InChI: InChI=1S/C18H18N2O2/c21-17-15(11-13-7-3-1-4-8-13)19-18(22)16(20-17)12-14-9-5-2-6-10-14/h1-10,15-16H,11-12H2,(H,19,22)(H,20,21)/t15-,16-/m0/s1

InChIKey: JUAPMRSLDANLAS-HOTGVXAUSA-N

Reference

Inhibition of Biofilm and Virulence Factors of Candida albicans by Partially Purified Secondary Metabolites of Streptomyces chrestomyceticus Strain ADP4

PubChem CID: 76116

CAS: 2862-51-3

LOTUS: LTS0193097

SuperNatural Ⅲ: SN0175229-01

NPASS: NPC311242

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Reticulitermes virginicus	Reticulitermes	Rhinotermitidae	Blattodea	Insecta	Arthropoda	Metazoa	Eukaryota
Fleroya rubrostipulata	Fleroya	Rubiaceae	Gentianales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Euphorbia peplus	Euphorbia	Euphorbiaceae	Malpighiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Epicoccum nigrum	Epicoccum	Didymellaceae	Pleosporales	Dothideomycetes	Ascomycota	Fungi	Eukaryota
Cremastosperma microcarpum	Cremastosperma	Annonaceae	Magnoliales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 294.354

TPSA？: 58.2

MolLogP？: 1.4549999999999992

Number of H-Donors: 2

Number of H-Acceptors: 2

RingCount: 3

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Escherichia coli	Escherichia coli	MIC	192.0	ug.mL-1	10.1016/j.bmc.2018.11.042
Fusobacterium nucleatum	Fusobacterium nucleatum	Inhibition	nan	%	10.1016/j.bmc.2018.11.042
Homo sapiens	A2780	Inhibition	nan	%	10.1021/np1000895
Homo sapiens	A549	Inhibition	nan	%	10.1021/np1000895
Homo sapiens	Bel-7402	Inhibition	nan	%	10.1021/np1000895
Homo sapiens	BGC-823	Inhibition	nan	%	10.1021/np1000895
Homo sapiens	Calpain 1	Inhibition	0.0	%	10.1016/j.bmcl.2005.04.031
Homo sapiens	HCT-116	Inhibition	nan	%	10.1021/np1000895
Homo sapiens	HCT-8	Inhibition	nan	%	10.1021/np1000895
Limosilactobacillus fermentum	Limosilactobacillus fermentum	Inhibition	nan	%	10.1016/j.bmc.2018.11.042
Listeria monocytogenes	Listeria monocytogenes	MIC	192.0	ug.mL-1	10.1016/j.bmc.2018.11.042
Mycobacterium tuberculosis	Cytochrome P450	Activity	0.0	%	10.1021/acs.jmedchem.9b01199
Mycobacterium tuberculosis	Cytochrome P450	Activity	3.0	%	10.1021/acs.jmedchem.9b01199
Mycobacterium tuberculosis	Cytochrome P450	Kd	2400.0	nM	10.1021/acs.jmedchem.9b01199
Mycobacterium tuberculosis	Cytochrome P450	Stability	nan	%	10.1021/acs.jmedchem.9b01199
Mycobacterium tuberculosis	Mycobacterium tuberculosis	MIC	100000.0	nM	10.1021/acs.jmedchem.9b01199
Plasmodium berghei	Plasmodium berghei	Activity	84.33	%	10.1016/j.bmcl.2012.09.094
Plasmodium berghei	Plasmodium berghei	IC50	2540.0	nM	10.1016/j.bmcl.2012.09.094
Porphyromonas gingivalis	Porphyromonas gingivalis	Inhibition	nan	%	10.1016/j.bmc.2018.11.042
Pseudomonas aeruginosa	Pseudomonas aeruginosa	MIC	192.0	ug.mL-1	10.1016/j.bmc.2018.11.042
Staphylococcus aureus	Staphylococcus aureus	MIC	192.0	ug.mL-1	10.1016/j.bmc.2018.11.042
Streptococcus mutans	Streptococcus mutans	GI	nan	None	10.1016/j.bmc.2018.11.042
Streptococcus mutans	Streptococcus mutans	Inhibition	nan	%	10.1016/j.bmc.2018.11.042
None	ADMET	Log Phep	3.0	None	10.1021/jm00076a002
None	No relevant target	LogP	1.59	None	10.1021/jm00076a002
None	No relevant target	LogP	2.86	None	10.1021/jm00076a002