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5- amino- 1- ethyl- 6,8- difluoro- 4- oxo- 7- piperazin- 1- yl- 1,4- dihydroquinoline- 3- carboxylic acid

ChemBankID: 1347770

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Names:	5- amino- 1- ethyl- 6,8- difluoro- 4- oxo- 7- piperazin- 1- yl- 1,4- dihydroquinoline- 3- carboxylic acid (IUPAC)
SMILES:	CCn1cc(C(=O) O) c(=O) c2c(N) c(F) c(N3CCNCC3) c(F) c12
InChI:	1/C16H18F2N4O3/c1- 2- 21- 7- 8(16(24) 25) 15(23) 9- 12(19) 10(17) 14(11(18) 13(9) 21) 22- 5- 3- 20- 4- 6- 22/h7,20H,2- 6,19H2,1H3,(H,24,25)
Pubchem Substances:	47606444 11142691

Molecular Weight:	352.33592
Rotatable Bonds:	3
HBond Acceptors:	7
HBond Donors:	3
LogP by GhoseCrippen:	-1.952

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Sample Information

Source	Library	Plate	Well	Virtual ID	Pubchem Substance	Autofluorescence*
ChemBridge	CBDivE	43	P14	CBDivE_013754	11142691	Not Tested

* Autofluorescence testing is performed over a range of excitation wavelengths using the following methodology.

Screening Test Instances

Project Name	Assay Name	Assay Type	Plate	Well	Z-score	Composite Z-Score	Standard Hit
BH3-BclxLBindingAssay	raw{Pol(s)}(179.0036)	HTS (homogeneous)	179.0036.43.A	P14	42.6	42.6045	1.0
BH3-BclxLBindingAssay	raw{Pol(P)}(179.0035)	HTS (homogeneous)	179.0035.43.A	P14	34.04	34.0382	1.0
SulfurAssimilation	user{%Inh(CysC)}(130.0019)	HTS (microorganism)	130.0019.43.A	P14	2.8	2.8026	0.0
SulfurAssimilation	user{%Inh(BioB)}(130.0018)	HTS (microorganism)	130.0018.43.A	P14	1.86	1.8639	0.0
EOMAViability	raw{Lum()}(298.0511)	HTS (cell-based)	298.0511.43.B	P14	1.14	1.4215	0.0
EOMAViability	raw{Lum()}(298.0511)	HTS (cell-based)	298.0511.43.A	P14	0.87	1.4215	0.0
NeuDifferentialViability	user{Fold()}(115.0010)	HTS (homogeneous)	115.0010.43.D	P14	-0.205159473932054	1.0976	0.0
NeuDifferentialViability	user{Fold()}(115.0010)	HTS (homogeneous)	115.0010.43.C	P14	-0.0911795760337951	1.0976	0.0
NeuDifferentialViability	user{Fold()}(115.0010)	HTS (homogeneous)	115.0010.43.B	P14	2.62	1.0976	0.0
NeuDifferentialViability	user{Fold()}(115.0010)	HTS (homogeneous)	115.0010.43.A	P14	-0.13	1.0976	0.0
BH3-BclxLBindingAssay	user{Pol(mP)}(179.0037)	HTS (homogeneous)	179.0037.43.A	P14	1.0	1.0008	0.0
SulfurAssimilation	user{%Inh(CysH)}(130.0020)	HTS (homogeneous)	130.0020.43.A	P14	0.87	0.8738	0.0
EColiFilamentationGTPase2001	user{Fold()}(149.0032)	HTS (homogeneous)	149.0032.43.A	P14	0.78	0.7822	0.0
ProteasomeInhibition	user{%Inh(2h)}(134.0022)	HTS (homogeneous)	134.0022.43.A	P14	0.7	0.6983	0.0
TNFalphaNecrosis	user{Fold()}(180.0038)	HTS (cell-based)	180.0038.43.A	P14	0.67	0.6739	0.0
ERStressApoptosis	raw{Lum()}(107.0001)	HTS (cell-based)	107.0001.43.A	P14	0.5	0.4951	0.0
LipidTransfer	user{Fold(HDL)}(263.0151)	HTS (cell-based)	263.0151.43.B	P14	0.36	0.4941	0.0
LipidTransfer	user{Fold(HDL)}(263.0151)	HTS (cell-based)	263.0151.43.A	P14	0.34	0.4941	0.0
ERStressApoptosis	user{Fold()}(107.0002)	HTS (cell-based)	107.0002.43.A	P14	0.49	0.4912	0.0
EOMAViability	user{Fold()}(298.0513)	HTS (cell-based)	298.0513.43.B	P14	0.31	0.359	0.0
EOMAViability	user{Fold()}(298.0513)	HTS (cell-based)	298.0513.43.A	P14	0.2	0.359	0.0
LipidTransfer	user{Fold(Qnch)}(263.0153)	HTS (cell-based)	263.0153.43.B	P14	0.33	0.2818	0.0
LipidTransfer	user{Fold(Qnch)}(263.0153)	HTS (cell-based)	263.0153.43.A	P14	0.07	0.2818	0.0
MitosisCytoblotAssay	user{Fold()}(158.0033)	HTS (cell-based)	158.0033.43.A	P14	0.27	0.2744	0.0
BH3-BclxLBindingAssay	raw{Pol(mP)}(179.0034)	HTS (homogeneous)	179.0034.43.A	P14	0.25	0.2543	0.0
ActinPolymerization	raw{FI()}(144.0030)	HTS (homogeneous)	144.0030.43.A	P14	0.25	0.2458	0.0
ActinPolymerization	user{Fold()}(144.0031)	HTS (homogeneous)	144.0031.43.A	P14	0.23	0.2287	0.0
ProteasomeInhibition	user{%Inh(1h)}(134.0021)	HTS (homogeneous)	134.0021.43.A	P14	0.22	0.2249	0.0
PseudomonasCellWallSynthesis	user{%Inh()}(228.0126)	HTS (homogeneous)	228.0126.43.B	P14	0.35	0.224	0.0
PseudomonasCellWallSynthesis	user{%Inh()}(228.0126)	HTS (homogeneous)	228.0126.43.A	P14	-0.04	0.224	0.0
NeuDifferentialViability	raw{Lum()}(115.0006)	HTS (cell-based)	115.0006.43.B	P14	0.87	0.2164	0.0
NeuDifferentialViability	raw{Lum()}(115.0006)	HTS (cell-based)	115.0006.43.A	P14	-0.14	0.2164	0.0
CyclinReporterGeneCyclinB	user{Fold()}(218.0088)	HTS (homogeneous)	218.0088.43.A	P14	0.2	0.2006	0.0
CyclinReporterGeneCyclinB	user{Fold()}(218.0086)	HTS (homogeneous)	218.0086.43.A	P14	0.19	0.1935	0.0
AngiogeninRNAse	user{Fold()}(142.0029)	HTS (homogeneous)	142.0029.43.A	P14	0.1	0.0969	0.0
CyclinReporterGeneCyclinB	user{Fold()}(218.0087)	HTS (homogeneous)	218.0087.43.A	P14	0.05	0.0548	0.0
eIF4G-eIF4EBindingAssay	user{Fold()}(126.0017)	HTS (homogeneous)	126.0017.43.A	P14	-0.79	-0.792	0.0
eIF4G-eIF4EBindingAssay	raw{Pol(mP)}(126.0014)	HTS (homogeneous)	126.0014.43.A	P14	-0.78	-0.7785	0.0
ProteasomeInhibition	user{Fold(2h)}(134.0026)	HTS (homogeneous)	134.0026.43.A	P14	-0.7	-0.7002	0.0
ProteasomeInhibition	user{Act(2h)}(134.0024)	HTS (homogeneous)	134.0024.43.A	P14	-0.7	-0.6983	0.0
HistoneMethylationCytoblot	user{Z()}(210.0085)	HTS (cell-based)	210.0085.43.A	P14	-0.59	-0.5855	0.0
eIF4G-eIF4EBindingAssay	raw{Pol(P)}(126.0015)	HTS (homogeneous)	126.0015.43.A	P14	-0.45	-0.4506	0.0
HSVPolymeraseBindingAssay	raw{Pol(mP)}(280.0247)	HTS (homogeneous)	280.0247.43.A	P14	-0.39	-0.3912	0.0
eIF4G-eIF4EBindingAssay	raw{Pol(s)}(126.0016)	HTS (homogeneous)	126.0016.43.A	P14	-0.37	-0.3663	0.0
HSVPolymeraseBindingAssay	user{Fold()}(280.0250)	HTS (homogeneous)	280.0250.43.A	P14	-0.37	-0.3651	0.0
CyclinReporterGeneCdh1	user{Fold()}(219.0091)	HTS (homogeneous)	219.0091.43.A	P14	-0.27	-0.2655	0.0
ToxoplasmaInvasion	user{Fold()}(141.0027)	high-content screen	141.0027.43.A	P14	-0.26	-0.2583	0.0
PseudomonasCellWallSynthesis	raw{Abs()}(228.0124)	HTS (homogeneous)	228.0124.43.B	P14	-0.38	-0.2452	0.0
PseudomonasCellWallSynthesis	raw{Abs()}(228.0124)	HTS (homogeneous)	228.0124.43.A	P14	0.03	-0.2452	0.0
ProteasomeInhibition	user{Fold(1h)}(134.0025)	HTS (homogeneous)	134.0025.43.A	P14	-0.24	-0.2409	0.0
ProteasomeInhibition	user{Act(1h)}(134.0023)	HTS (homogeneous)	134.0023.43.A	P14	-0.22	-0.2249	0.0
HSVPolymeraseBindingAssay	raw{Pol(s)}(280.0249)	HTS (homogeneous)	280.0249.43.A	P14	-0.04	-0.0428	0.0
HSVPolymeraseBindingAssay	raw{Pol(P)}(280.0248)	HTS (homogeneous)	280.0248.43.A	P14	-0.04	-0.0414	0.0
ProteinDegradationAssay	user{Fold()}(297.0505)	HTS (cell-based)	297.0505.43.A	P14	-0.04	-0.0384	0.0
ProteinDegradationAssay	user{Fold()}(297.0506)	HTS (cell-based)	297.0506.43.B	P14	-0.12	-0.028	0.0
ProteinDegradationAssay	user{Fold()}(297.0506)	HTS (cell-based)	297.0506.43.A	P14	0.08	-0.028	0.0

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