NPASS Natural Product

Natural Product: NPC318183

Natural Product ID:	NPC318183
Common Name:	Difloxacin
IUPAC Name:	6-fluoro-1-(4-fluorophenyl)-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid
Synonyms:	Difloxacin
Molecular Formula:	C21H19F2N3O3
Standard InCHIKey:	NOCJXYPHIIZEHN-UHFFFAOYSA-N
Standard InCHI:	InChI=1S/C21H19F2N3O3/c1-24-6-8-25(9-7-24)19-11-18-15(10-17(19)23)20(27)16(21(28)29)12-26(18)14-4-2-13(22)3-5-14/h2-5,10-12H,6-9H2,1H3,(H,28,29)
Canonical SMILES:	CN1CCN(CC1)c1cc2c(cc1F)c(=O)c(cn2c1ccc(cc1)F)C(=O)O
First Find Year:
Max Developmental Stage:
Synthetic Gene Cluster:	;

Species Source

Organism ID	Organism Name	Taxonomy Level	Family	SuperKingdom	Isolation Part	Collection Location	Collection Time	Reference
NPO30193	Mycoplasma genitalium	Species	Mycoplasmataceae	Bacteria				PMID[22817898]

Biological Activity

Activity Type	# Activity
ED50	2
MIC	89
Potency	7

Activity Type	# Activity
Individual Protein	4
Organism	91
Others	2
Protein-Protein Interaction	1

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT19	Organism	Escherichia coli	Escherichia coli	MIC	=	0.05	ug/ml	2834557
NPT19	Organism	Escherichia coli	Escherichia coli	MIC	=	0.4	ug/ml	2834557
NPT173	Organism	Klebsiella pneumoniae	Klebsiella pneumoniae	MIC	=	0.4	ug/ml	2834557
NPT2894	Organism	Providencia rettgeri	Providencia rettgeri	MIC	=	1.6	ug/ml	2834557
NPT1033	Organism	Enterobacter cloacae	Enterobacter cloacae	MIC	=	0.8	ug/ml	2834557
NPT18	Organism	Pseudomonas aeruginosa	Pseudomonas aeruginosa	MIC	=	0.8	ug/ml	2834557
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MIC	=	1.6	ug/ml	2834557
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MIC	=	0.4	ug/ml	2834557
NPT175	Organism	Enterococcus faecalis	Enterococcus faecalis	MIC	=	3.1	ug/ml	2834557
NPT1118	Organism	Streptococcus pneumoniae	Streptococcus pneumoniae	MIC	=	1.6	ug/ml	2834557
NPT1228	Organism	Streptococcus pyogenes	Streptococcus pyogenes	MIC	=	1.6	ug/ml	2834557
NPT3496	Organism	Enterobacter	Enterobacter	MIC	=	0.4	ug/ml	2834557
NPT19	Organism	Escherichia coli	Escherichia coli	MIC	=	0.39	ug/ml	1404228
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MIC	=	0.195	ug/ml	1404228
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MIC	=	0.2	ug/ml	3820222
NPT17	Organism	Staphylococcus epidermidis	Staphylococcus epidermidis	MIC	=	0.39	ug/ml	3820222
NPT1531	Organism	Enterococcus faecium	Enterococcus faecium	MIC	=	1.56	ug/ml	3820222
NPT1228	Organism	Streptococcus pyogenes	Streptococcus pyogenes	MIC	=	1.56	ug/ml	3820222
NPT19	Organism	Escherichia coli	Escherichia coli	MIC	=	0.2	ug/ml	3820222
NPT720	Organism	Enterobacter aerogenes	Enterobacter aerogenes	MIC	=	0.78	ug/ml	3820222
NPT173	Organism	Klebsiella pneumoniae	Klebsiella pneumoniae	MIC	=	0.1	ug/ml	3820222
NPT18	Organism	Pseudomonas aeruginosa	Pseudomonas aeruginosa	MIC	=	0.78	ug/ml	3820222
NPT18	Organism	Pseudomonas aeruginosa	Pseudomonas aeruginosa	MIC	=	1.56	ug/ml	3820222
NPT1207	Organism	Acinetobacter	Acinetobacter	MIC	=	0.78	ug/ml	3820222
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MIC	=	0.25	ug/ml	2709374
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MIC	=	4	ug/ml	2709374
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MIC	=	0.2	ug/ml	3934382
NPT17	Organism	Staphylococcus epidermidis	Staphylococcus epidermidis	MIC	=	0.39	ug/ml	3934382
NPT1531	Organism	Enterococcus faecium	Enterococcus faecium	MIC	=	1.56	ug/ml	3934382
NPT1228	Organism	Streptococcus pyogenes	Streptococcus pyogenes	MIC	=	1.56	ug/ml	3934382
NPT19	Organism	Escherichia coli	Escherichia coli	MIC	=	0.2	ug/ml	3934382
NPT720	Organism	Enterobacter aerogenes	Enterobacter aerogenes	MIC	=	0.78	ug/ml	3934382
NPT173	Organism	Klebsiella pneumoniae	Klebsiella pneumoniae	MIC	=	0.1	ug/ml	3934382
NPT18	Organism	Pseudomonas aeruginosa	Pseudomonas aeruginosa	MIC	=	1.56	ug/ml	3934382
NPT1207	Organism	Acinetobacter	Acinetobacter	MIC	=	0.2	ug/ml	3934382
NPT32	Organism	Mus musculus	Mus musculus	ED50	=	1.6	mg/kg	3934382
NPT32	Organism	Mus musculus	Mus musculus	ED50	=	3.1	mg/kg	3934382
NPT566	Organism	Salmonella typhimurium	Salmonella enterica subsp. enterica serovar Typhimurium	MIC	=	0.25	ug/ml	17043131
NPT566	Organism	Salmonella typhimurium	Salmonella enterica subsp. enterica serovar Typhimurium	MIC	<	0.015	ug/ml	17043131
NPT566	Organism	Salmonella typhimurium	Salmonella enterica subsp. enterica serovar Typhimurium	MIC	=	4	ug/ml	17043131
NPT566	Organism	Salmonella typhimurium	Salmonella enterica subsp. enterica serovar Typhimurium	MIC	>	16	ug/ml	17043131
NPT566	Organism	Salmonella typhimurium	Salmonella enterica subsp. enterica serovar Typhimurium	MIC	=	2	ug/ml	17043131
NPT566	Organism	Salmonella typhimurium	Salmonella enterica subsp. enterica serovar Typhimurium	MIC	=	0.5	ug/ml	17043131
NPT566	Organism	Salmonella typhimurium	Salmonella enterica subsp. enterica serovar Typhimurium	MIC	=	1	ug/ml	17043131
NPT566	Organism	Salmonella typhimurium	Salmonella enterica subsp. enterica serovar Typhimurium	MIC	=	16	ug/ml	17043131
NPT566	Organism	Salmonella typhimurium	Salmonella enterica subsp. enterica serovar Typhimurium	MIC	=	0.03	ug/ml	17043131
NPT566	Organism	Salmonella typhimurium	Salmonella enterica subsp. enterica serovar Typhimurium	MIC	=	0.06	ug/ml	17043131
NPT197	Protein-Protein Interaction	Menin/Histone-lysine N-methyltransferase MLL	Homo sapiens	Potency	=	31622.8	nM	PubChem BioAssay data set
NPT483	Individual Protein	Prelamin-A/C	Homo sapiens	Potency	=	17782.8	nM	PubChem BioAssay data set
NPT1038	Individual Protein	Histone-lysine N-methyltransferase MLL	Homo sapiens	Potency	=	39810.7	nM	PubChem BioAssay data set
NPT443	Individual Protein	Histone acetyltransferase GCN5	Homo sapiens	Potency		28183.8	nM	PubChem BioAssay data set
NPT5	Individual Protein	Histone-lysine N-methyltransferase, H3 lysine-9 specific 3	Homo sapiens	Potency		3981.1	nM	PubChem BioAssay data set
NPT6	Organism	Plasmodium falciparum	Plasmodium falciparum	Potency		6745.6	nM	PubChem BioAssay data set
NPT6	Organism	Plasmodium falciparum	Plasmodium falciparum	Potency		13459.1	nM	PubChem BioAssay data set
NPT19	Organism	Escherichia coli	Escherichia coli	MIC	=	5	ug/ml	23320609
NPT2	Others	Unspecified		MIC	=	20	ug/ml	23320609
NPT3163	Organism	Acinetobacter calcoaceticus	Acinetobacter calcoaceticus	MIC	=	5	ug/ml	23320609

Similar Natural Products in NPASS

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules. Tc lies between [0, 1] where '1' indicates the highest similarity. What is Tanimoto coefficient

● The left chart: Distribution of similarity level between NPC318183 and all remaining natural products in the NPASS database.
● The right table: Most similar natural products (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	199
0.1-0.2	1285
0.2-0.3	5524
0.3-0.4	11221
0.4-0.5	10165
0.5-0.6	2057
0.6-0.7	404
0.7-0.8	33
0.8-0.85	0
0.85-0.9	0
0.9-0.95	1
0.95-1	0

Similarity Score	Similarity Level	Natural Product ID
0.9012	High Similarity	NPC292265
0.7966	Intermediate Similarity	NPC316141
0.7654	Intermediate Similarity	NPC470317
0.7604	Intermediate Similarity	NPC329567
0.7604	Intermediate Similarity	NPC330683
0.7405	Intermediate Similarity	NPC313293
0.7358	Intermediate Similarity	NPC314098
0.7341	Intermediate Similarity	NPC36495
0.7338	Intermediate Similarity	NPC257490
0.7337	Intermediate Similarity	NPC144691
0.7314	Intermediate Similarity	NPC204867
0.7299	Intermediate Similarity	NPC27904
0.7261	Intermediate Similarity	NPC472244
0.7261	Intermediate Similarity	NPC470343
0.7208	Intermediate Similarity	NPC291962
0.7208	Intermediate Similarity	NPC177684
0.7161	Intermediate Similarity	NPC161956
0.7161	Intermediate Similarity	NPC258531
0.7161	Intermediate Similarity	NPC112373
0.7159	Intermediate Similarity	NPC293458
0.7151	Intermediate Similarity	NPC472118
0.7097	Intermediate Similarity	NPC226143
0.7088	Intermediate Similarity	NPC471743
0.7068	Intermediate Similarity	NPC202812
0.7043	Intermediate Similarity	NPC285923
0.7043	Intermediate Similarity	NPC471742
0.7037	Intermediate Similarity	NPC316746
0.7033	Intermediate Similarity	NPC470548
0.7021	Intermediate Similarity	NPC473815
0.7006	Intermediate Similarity	NPC474058
0.7006	Intermediate Similarity	NPC472243
0.7	Intermediate Similarity	NPC223595
0.7	Intermediate Similarity	NPC224970
0.7	Intermediate Similarity	NPC167724
0.6995	Remote Similarity	NPC475607
0.6994	Remote Similarity	NPC154602
0.6989	Remote Similarity	NPC61013
0.6989	Remote Similarity	NPC123241
0.6975	Remote Similarity	NPC314431
0.6962	Remote Similarity	NPC39818
0.6959	Remote Similarity	NPC478039
0.6957	Remote Similarity	NPC474081
0.6949	Remote Similarity	NPC193410
0.6944	Remote Similarity	NPC472114
0.6944	Remote Similarity	NPC472115
0.6941	Remote Similarity	NPC314186
0.694	Remote Similarity	NPC475594
0.6919	Remote Similarity	NPC474041
0.6914	Remote Similarity	NPC150863
0.691	Remote Similarity	NPC248117
0.6909	Remote Similarity	NPC253476
0.6889	Remote Similarity	NPC471130
0.6882	Remote Similarity	NPC298320
0.6872	Remote Similarity	NPC472117
0.6872	Remote Similarity	NPC88970
0.6871	Remote Similarity	NPC280807
0.6871	Remote Similarity	NPC194562
0.6871	Remote Similarity	NPC472245
0.6864	Remote Similarity	NPC471164
0.6862	Remote Similarity	NPC97584
0.6857	Remote Similarity	NPC285381
0.6855	Remote Similarity	NPC268534
0.6835	Remote Similarity	NPC179605
0.6835	Remote Similarity	NPC279385
0.6828	Remote Similarity	NPC475761
0.6828	Remote Similarity	NPC99043
0.6828	Remote Similarity	NPC218594
0.6824	Remote Similarity	NPC472241
0.6818	Remote Similarity	NPC478076
0.6816	Remote Similarity	NPC225319
0.6811	Remote Similarity	NPC476441
0.6805	Remote Similarity	NPC242933
0.6792	Remote Similarity	NPC103292
0.6778	Remote Similarity	NPC476231
0.6778	Remote Similarity	NPC99632
0.6778	Remote Similarity	NPC282339
0.6769	Remote Similarity	NPC470787
0.6769	Remote Similarity	NPC472539
0.6769	Remote Similarity	NPC472540
0.6766	Remote Similarity	NPC300299
0.6765	Remote Similarity	NPC471574
0.6765	Remote Similarity	NPC43477
0.6758	Remote Similarity	NPC182131
0.674	Remote Similarity	NPC189116
0.6737	Remote Similarity	NPC52262
0.6735	Remote Similarity	NPC472541
0.6735	Remote Similarity	NPC472542
0.6705	Remote Similarity	NPC472242
0.6702	Remote Similarity	NPC475685
0.6686	Remote Similarity	NPC237649
0.6686	Remote Similarity	NPC300596
0.6684	Remote Similarity	NPC472116
0.6667	Remote Similarity	NPC329338
0.6667	Remote Similarity	NPC314648
0.6667	Remote Similarity	NPC469726
0.6648	Remote Similarity	NPC113056
0.6648	Remote Similarity	NPC138293
0.6647	Remote Similarity	NPC83214
0.6647	Remote Similarity	NPC136002
0.6646	Remote Similarity	NPC58827
0.6646	Remote Similarity	NPC72473
0.6646	Remote Similarity	NPC307437
0.6632	Remote Similarity	NPC243058
0.6631	Remote Similarity	NPC264482
0.6631	Remote Similarity	NPC203202
0.6626	Remote Similarity	NPC205946
0.6613	Remote Similarity	NPC476425
0.6612	Remote Similarity	NPC299582
0.661	Remote Similarity	NPC243756
0.6598	Remote Similarity	NPC5630
0.6597	Remote Similarity	NPC203635
0.6596	Remote Similarity	NPC14849
0.6596	Remote Similarity	NPC186669
0.6593	Remote Similarity	NPC199737
0.6592	Remote Similarity	NPC473297
0.6576	Remote Similarity	NPC279527
0.6576	Remote Similarity	NPC214960
0.6573	Remote Similarity	NPC117032
0.6567	Remote Similarity	NPC15987
0.6564	Remote Similarity	NPC203628
0.6561	Remote Similarity	NPC6974
0.6559	Remote Similarity	NPC355
0.6552	Remote Similarity	NPC313345
0.6552	Remote Similarity	NPC314855
0.6552	Remote Similarity	NPC315638
0.6552	Remote Similarity	NPC313796
0.6538	Remote Similarity	NPC93653
0.6531	Remote Similarity	NPC114039
0.6531	Remote Similarity	NPC206109
0.6528	Remote Similarity	NPC150308
0.6528	Remote Similarity	NPC90415
0.6522	Remote Similarity	NPC52059
0.6522	Remote Similarity	NPC470069
0.652	Remote Similarity	NPC315545
0.652	Remote Similarity	NPC314297
0.6519	Remote Similarity	NPC211525
0.6519	Remote Similarity	NPC153694
0.6519	Remote Similarity	NPC113946
0.6517	Remote Similarity	NPC471944
0.6515	Remote Similarity	NPC303214
0.6512	Remote Similarity	NPC207554
0.6506	Remote Similarity	NPC209389
0.6503	Remote Similarity	NPC253667
0.6503	Remote Similarity	NPC35510
0.6495	Remote Similarity	NPC14994
0.6495	Remote Similarity	NPC115588
0.6494	Remote Similarity	NPC478040
0.6492	Remote Similarity	NPC476428
0.649	Remote Similarity	NPC250448
0.6489	Remote Similarity	NPC328611
0.6484	Remote Similarity	NPC154478
0.6482	Remote Similarity	NPC471199
0.648	Remote Similarity	NPC1820
0.648	Remote Similarity	NPC122106
0.6474	Remote Similarity	NPC147298
0.6474	Remote Similarity	NPC182057
0.6474	Remote Similarity	NPC2823
0.6474	Remote Similarity	NPC131450
0.6474	Remote Similarity	NPC475094
0.6471	Remote Similarity	NPC173295
0.6465	Remote Similarity	NPC221687
0.6465	Remote Similarity	NPC220151
0.6465	Remote Similarity	NPC19692
0.6464	Remote Similarity	NPC84317
0.6458	Remote Similarity	NPC159963
0.6453	Remote Similarity	NPC295548
0.6453	Remote Similarity	NPC319645
0.645	Remote Similarity	NPC474916
0.6439	Remote Similarity	NPC478075
0.6436	Remote Similarity	NPC214626
0.6436	Remote Similarity	NPC177261
0.6436	Remote Similarity	NPC139085
0.6436	Remote Similarity	NPC251212
0.6432	Remote Similarity	NPC170333
0.6432	Remote Similarity	NPC97100
0.6432	Remote Similarity	NPC473375
0.6432	Remote Similarity	NPC472106
0.6429	Remote Similarity	NPC471196
0.6429	Remote Similarity	NPC471195
0.6425	Remote Similarity	NPC314223
0.6425	Remote Similarity	NPC314834
0.6422	Remote Similarity	NPC133156
0.6422	Remote Similarity	NPC313112
0.6422	Remote Similarity	NPC329833
0.6422	Remote Similarity	NPC301292
0.6421	Remote Similarity	NPC219848
0.642	Remote Similarity	NPC150323
0.6418	Remote Similarity	NPC106118
0.6416	Remote Similarity	NPC130251
0.6416	Remote Similarity	NPC315051
0.6413	Remote Similarity	NPC472101
0.6413	Remote Similarity	NPC472120
0.6412	Remote Similarity	NPC316104
0.6412	Remote Similarity	NPC162417
0.6411	Remote Similarity	NPC471741
0.641	Remote Similarity	NPC472323
0.64	Remote Similarity	NPC308197
0.6398	Remote Similarity	NPC278887
0.6396	Remote Similarity	NPC151171
0.6395	Remote Similarity	NPC122553

Similar Clinical/Approved Drugs

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.

● The left chart: Distribution of similarity level between NPC318183 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	150
0.1-0.2	559
0.2-0.3	912
0.3-0.4	1428
0.4-0.5	3417
0.5-0.6	2198
0.6-0.7	411
0.7-0.8	60
0.8-0.85	5
0.85-0.9	10
0.9-0.95	7
0.95-1	4

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.9625	High Similarity	NPD4330	Approved
0.9625	High Similarity	NPD4329	Approved
0.9623	High Similarity	NPD3792	Approved
0.9545	High Similarity	NPD2506	Approved
0.9481	High Similarity	NPD2427	Approved
0.9321	High Similarity	NPD3782	Discontinued
0.9245	High Similarity	NPD2037	Approved
0.9125	High Similarity	NPD2455	Approved
0.9125	High Similarity	NPD2454	Approved
0.9012	High Similarity	NPD2431	Approved
0.9012	High Similarity	NPD2432	Approved
0.8963	High Similarity	NPD2083	Clinical (unspecified phase)
0.8957	High Similarity	NPD3377	Discontinued
0.8834	High Similarity	NPD3376	Clinical (unspecified phase)
0.8773	High Similarity	NPD3468	Approved
0.875	High Similarity	NPD3471	Approved
0.875	High Similarity	NPD3470	Approved
0.8675	High Similarity	NPD3423	Phase 2
0.8675	High Similarity	NPD3422	Phase 3
0.8659	High Similarity	NPD2404	Discontinued
0.8563	High Similarity	NPD5504	Discontinued
0.8412	Intermediate Similarity	NPD2869	Clinical (unspecified phase)
0.8249	Intermediate Similarity	NPD4370	Phase 3
0.8182	Intermediate Similarity	NPD5860	Discontinued
0.8081	Intermediate Similarity	NPD3978	Clinical (unspecified phase)
0.8045	Intermediate Similarity	NPD3884	Discontinued
0.7966	Intermediate Similarity	NPD3414	Approved
0.7966	Intermediate Similarity	NPD2397	Discontinued
0.7966	Intermediate Similarity	NPD3413	Approved
0.7927	Intermediate Similarity	NPD3805	Clinical (unspecified phase)
0.7861	Intermediate Similarity	NPD7205	Discontinued
0.7845	Intermediate Similarity	NPD3304	Phase 2
0.7826	Intermediate Similarity	NPD3828	Approved
0.7796	Intermediate Similarity	NPD6805	Discontinued
0.7778	Intermediate Similarity	NPD6260	Discontinued
0.7772	Intermediate Similarity	NPD2307	Discontinued
0.766	Intermediate Similarity	NPD3314	Discontinued
0.7644	Intermediate Similarity	NPD6518	Discontinued
0.7604	Intermediate Similarity	NPD2907	Approved
0.7604	Intermediate Similarity	NPD2906	Approved
0.7554	Intermediate Similarity	NPD2336	Approved
0.7539	Intermediate Similarity	NPD4456	Clinical (unspecified phase)
0.7538	Intermediate Similarity	NPD3783	Clinical (unspecified phase)
0.7526	Intermediate Similarity	NPD3372	Discontinued
0.7515	Intermediate Similarity	NPD6017	Discontinued
0.7513	Intermediate Similarity	NPD3472	Approved
0.7513	Intermediate Similarity	NPD4022	Approved
0.7513	Intermediate Similarity	NPD4082	Approved
0.7484	Intermediate Similarity	NPD1527	Phase 2
0.7381	Intermediate Similarity	NPD4942	Approved
0.7371	Intermediate Similarity	NPD4596	Phase 1
0.736	Intermediate Similarity	NPD4494	Approved
0.736	Intermediate Similarity	NPD4492	Approved
0.7353	Intermediate Similarity	NPD7186	Phase 3
0.733	Intermediate Similarity	NPD6199	Discontinued
0.7322	Intermediate Similarity	NPD4412	Phase 2
0.7278	Intermediate Similarity	NPD4888	Discontinued
0.7245	Intermediate Similarity	NPD7232	Discontinued
0.7245	Intermediate Similarity	NPD4882	Clinical (unspecified phase)
0.7241	Intermediate Similarity	NPD33	Approved
0.7241	Intermediate Similarity	NPD4393	Approved
0.7214	Intermediate Similarity	NPD3940	Clinical (unspecified phase)
0.7186	Intermediate Similarity	NPD3888	Discontinued
0.7179	Intermediate Similarity	NPD2723	Phase 3
0.715	Intermediate Similarity	NPD4455	Discontinued
0.7143	Intermediate Similarity	NPD5918	Discontinued
0.7136	Intermediate Similarity	NPD4493	Discontinued
0.7126	Intermediate Similarity	NPD6566	Discontinued
0.7126	Intermediate Similarity	NPD1189	Approved
0.7101	Intermediate Similarity	NPD5932	Phase 3
0.7101	Intermediate Similarity	NPD5931	Phase 3
0.7101	Intermediate Similarity	NPD5933	Phase 3
0.7095	Intermediate Similarity	NPD7664	Discontinued
0.7085	Intermediate Similarity	NPD3893	Discontinued
0.7079	Intermediate Similarity	NPD7167	Discontinued
0.7077	Intermediate Similarity	NPD3773	Approved
0.7077	Intermediate Similarity	NPD3774	Approved
0.7077	Intermediate Similarity	NPD3775	Approved
0.7071	Intermediate Similarity	NPD6486	Approved
0.7071	Intermediate Similarity	NPD6487	Approved
0.7056	Intermediate Similarity	NPD7560	Approved
0.7048	Intermediate Similarity	NPD7552	Discontinued
0.7043	Intermediate Similarity	NPD721	Approved
0.7035	Intermediate Similarity	NPD5748	Phase 2
0.7033	Intermediate Similarity	NPD7449	Clinical (unspecified phase)
0.7017	Intermediate Similarity	NPD1165	Clinical (unspecified phase)
0.6982	Remote Similarity	NPD2820	Phase 3
0.6982	Remote Similarity	NPD1625	Approved
0.6977	Remote Similarity	NPD4161	Discontinued
0.697	Remote Similarity	NPD2791	Discontinued
0.6951	Remote Similarity	NPD441	Approved
0.6951	Remote Similarity	NPD2950	Approved
0.6951	Remote Similarity	NPD2949	Approved
0.6951	Remote Similarity	NPD6740	Clinical (unspecified phase)
0.6948	Remote Similarity	NPD7551	Clinical (unspecified phase)
0.6948	Remote Similarity	NPD7550	Clinical (unspecified phase)
0.694	Remote Similarity	NPD5466	Approved
0.6923	Remote Similarity	NPD2365	Approved
0.6893	Remote Similarity	NPD5496	Approved
0.6886	Remote Similarity	NPD2670	Approved
0.6882	Remote Similarity	NPD4430	Phase 2
0.6879	Remote Similarity	NPD4939	Clinical (unspecified phase)
0.6875	Remote Similarity	NPD5937	Approved
0.6862	Remote Similarity	NPD5923	Phase 1
0.6852	Remote Similarity	NPD7677	Discontinued
0.6845	Remote Similarity	NPD6655	Clinical (unspecified phase)
0.6829	Remote Similarity	NPD486	Clinical (unspecified phase)
0.6816	Remote Similarity	NPD5992	Approved
0.6815	Remote Similarity	NPD1668	Clinical (unspecified phase)
0.6806	Remote Similarity	NPD1657	Approved
0.6796	Remote Similarity	NPD7591	Clinical (unspecified phase)
0.6791	Remote Similarity	NPD5445	Approved
0.6776	Remote Similarity	NPD7795	Phase 2
0.6765	Remote Similarity	NPD4461	Discontinued
0.6753	Remote Similarity	NPD2004	Clinical (unspecified phase)
0.6746	Remote Similarity	NPD1626	Approved
0.6743	Remote Similarity	NPD2737	Clinical (unspecified phase)
0.674	Remote Similarity	NPD2288	Clinical (unspecified phase)
0.6739	Remote Similarity	NPD5727	Clinical (unspecified phase)
0.6735	Remote Similarity	NPD7572	Phase 2
0.6725	Remote Similarity	NPD6768	Approved
0.6724	Remote Similarity	NPD1802	Approved
0.6724	Remote Similarity	NPD1801	Approved
0.6707	Remote Similarity	NPD4549	Discontinued
0.6701	Remote Similarity	NPD2947	Clinical (unspecified phase)
0.6701	Remote Similarity	NPD8146	Phase 2
0.6685	Remote Similarity	NPD4045	Phase 2
0.6685	Remote Similarity	NPD4042	Phase 2
0.6684	Remote Similarity	NPD3755	Clinical (unspecified phase)
0.6684	Remote Similarity	NPD8241	Phase 2
0.6667	Remote Similarity	NPD2331	Discontinued
0.6667	Remote Similarity	NPD4351	Clinical (unspecified phase)
0.6667	Remote Similarity	NPD3434	Clinical (unspecified phase)
0.6667	Remote Similarity	NPD3625	Discontinued
0.6649	Remote Similarity	NPD5042	Phase 1
0.6648	Remote Similarity	NPD2836	Approved
0.6647	Remote Similarity	NPD1541	Approved
0.6647	Remote Similarity	NPD3170	Approved
0.6634	Remote Similarity	NPD1945	Phase 1
0.663	Remote Similarity	NPD4311	Approved
0.6629	Remote Similarity	NPD7088	Discontinued
0.6619	Remote Similarity	NPD5433	Clinical (unspecified phase)
0.6613	Remote Similarity	NPD7854	Phase 2
0.6613	Remote Similarity	NPD5997	Discontinued
0.6611	Remote Similarity	NPD5659	Approved
0.6611	Remote Similarity	NPD5660	Approved
0.6611	Remote Similarity	NPD6019	Approved
0.6611	Remote Similarity	NPD6018	Approved
0.661	Remote Similarity	NPD1230	Approved
0.6605	Remote Similarity	NPD1360	Approved
0.6596	Remote Similarity	NPD4092	Approved
0.6591	Remote Similarity	NPD7528	Approved
0.659	Remote Similarity	NPD5024	Approved
0.6588	Remote Similarity	NPD6342	Discontinued
0.6587	Remote Similarity	NPD1920	Approved
0.6587	Remote Similarity	NPD1919	Approved
0.6584	Remote Similarity	NPD6987	Phase 1
0.658	Remote Similarity	NPD4515	Suspended
0.6576	Remote Similarity	NPD4645	Clinical (unspecified phase)
0.6573	Remote Similarity	NPD3248	Phase 1
0.6552	Remote Similarity	NPD4046	Approved
0.6552	Remote Similarity	NPD4894	Discontinued
0.6552	Remote Similarity	NPD3481	Approved
0.6552	Remote Similarity	NPD4043	Approved
0.655	Remote Similarity	NPD7254	Discontinued
0.6548	Remote Similarity	NPD5975	Clinical (unspecified phase)
0.6543	Remote Similarity	NPD4775	Clinical (unspecified phase)
0.6543	Remote Similarity	NPD4091	Approved
0.6536	Remote Similarity	NPD3229	Phase 2
0.6536	Remote Similarity	NPD2360	Approved
0.6536	Remote Similarity	NPD5086	Approved
0.6532	Remote Similarity	NPD3482	Approved
0.6532	Remote Similarity	NPD6512	Approved
0.6532	Remote Similarity	NPD6513	Approved
0.6524	Remote Similarity	NPD1574	Approved
0.6524	Remote Similarity	NPD6320	Approved
0.6522	Remote Similarity	NPD5430	Discontinued
0.6517	Remote Similarity	NPD5982	Phase 2
0.6517	Remote Similarity	NPD3277	Phase 3
0.6509	Remote Similarity	NPD5185	Approved
0.6509	Remote Similarity	NPD5182	Approved
0.6509	Remote Similarity	NPD5184	Approved
0.6508	Remote Similarity	NPD3793	Phase 3
0.6502	Remote Similarity	NPD5901	Discontinued
0.65	Remote Similarity	NPD3425	Discontinued
0.6494	Remote Similarity	NPD4464	Clinical (unspecified phase)
0.6491	Remote Similarity	NPD6358	Phase 2
0.6489	Remote Similarity	NPD3522	Approved
0.648	Remote Similarity	NPD5592	Clinical (unspecified phase)
0.6474	Remote Similarity	NPD3999	Approved
0.6474	Remote Similarity	NPD3998	Approved
0.6474	Remote Similarity	NPD2010	Phase 3
0.6474	Remote Similarity	NPD5398	Clinical (unspecified phase)
0.6474	Remote Similarity	NPD3997	Approved
0.6471	Remote Similarity	NPD3776	Discontinued
0.6471	Remote Similarity	NPD1913	Phase 1
0.6468	Remote Similarity	NPD2911	Approved
0.6468	Remote Similarity	NPD2912	Approved
0.6467	Remote Similarity	NPD2918	Clinical (unspecified phase)
0.6467	Remote Similarity	NPD7734	Approved

Structure

CID318183 OpenBabel06191716142D 29 32 0 0 0 0 0 0 0 0999 V2000 -6.0622 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1962 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3301 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3301 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4641 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5981 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5981 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -4.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.4641 2.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -5.1962 -1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4641 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 24 1 0 0 0 0 2 4 1 0 0 0 0 2 13 2 0 0 0 0 3 5 2 0 0 0 0 3 13 1 0 0 0 0 4 14 2 0 0 0 0 5 14 1 0 0 0 0 6 8 1 0 0 0 0 6 24 1 0 0 0 0 7 9 1 0 0 0 0 7 24 1 0 0 0 0 8 25 1 0 0 0 0 9 25 1 0 0 0 0 10 15 2 0 0 0 0 10 17 1 0 0 0 0 11 18 2 0 0 0 0 11 19 1 0 0 0 0 12 16 2 0 0 0 0 12 26 1 0 0 0 0 13 22 1 0 0 0 0 14 26 1 0 0 0 0 15 18 1 0 0 0 0 15 20 1 0 0 0 0 16 20 1 0 0 0 0 16 21 1 0 0 0 0 17 19 2 0 0 0 0 17 23 1 0 0 0 0 18 26 1 0 0 0 0 19 25 1 0 0 0 0 20 27 2 0 0 0 0 21 28 2 0 0 0 0 21 29 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	56206;40473223
ChEMBL	CHEMBL6259
ZINC

Physicochemical Properties

Molecular Weight:	399.14
ALogP:	0.3953
MLogP:	2.89
XLogP:	3.975
# Rotatable Bonds:	7
Polar Surface Area:	64.09
# H-Bond Aceptor:	6
# H-Bond Donor:	1
# Rings:	4
# Heavy Atoms:	29

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