NPASS Natural Product

Natural Product: NPC160932

Natural Product ID:	NPC160932
Common Name:	3-Bromo-4-(2,3-Dibromo-4,5-Dihydroxybenzyl)-5-Methoxymethylpyrocatecol
IUPAC Name:	3,4-dibromo-5-[[2-bromo-3,4-dihydroxy-6-(methoxymethyl)phenyl]methyl]benzene-1,2-diol
Synonyms:
Molecular Formula:	C15H13Br3O5
Standard InCHIKey:	IPYUYPHYIFALPM-UHFFFAOYSA-N
Standard InCHI:	InChI=1S/C15H13Br3O5/c1-23-5-7-4-10(20)14(21)12(17)8(7)2-6-3-9(19)15(22)13(18)11(6)16/h3-4,19-22H,2,5H2,1H3
Canonical SMILES:	COCc1cc(O)c(c(c1Cc1cc(O)c(c(c1Br)Br)O)Br)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
NPO4939	Odonthalia corymbifera	Species	Rhodomelaceae	Eukaryota				PMID[18053715]
NPO15063	Leathesia nana	Species	Chordariaceae	Eukaryota				PMID[15497936]

Biological Activity

Activity Type	# Activity
IC50	5
MIC	10
Others	2

Activity Type	# Activity
Cell Line	5
Individual Protein	2
Organism	10

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT79	Organism	Bacillus subtilis	Bacillus subtilis	MIC	=	25	ug/ml	12502310
NPT729	Organism	Micrococcus luteus	Micrococcus luteus	MIC	=	25	ug/ml	9917310
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MIC	=	25	ug/ml	24191659
NPT19	Organism	Escherichia coli	Escherichia coli	MIC	>	100	ug/ml	23031596
NPT20	Organism	Candida albicans	Candida albicans	MIC	=	25	ug/ml	19251412
NPT3173	Organism	Arthroderma benhamiae	Arthroderma benhamiae	MIC	=	25	ug/ml	21726069
NPT178	Individual Protein	Protein-tyrosine phosphatase 1B	Homo sapiens	Inhibition	=	51.89	%	19848432
NPT180	Cell Line	HCT-8	Homo sapiens	IC50	=	5900	nM	8289064
NPT87	Organism	Aspergillus fumigatus	Aspergillus fumigatus	MIC	=	25	ug/ml	23398362
NPT566	Organism	Salmonella typhimurium	Salmonella enterica subsp. enterica serovar Typhimurium	MIC	=	25	ug/ml	23268742
NPT547	Cell Line	BGC-823	Homo sapiens	IC50	=	18000	nM	20805391
NPT81	Cell Line	A549	Homo sapiens	IC50	=	5400	nM	20805391
NPT329	Organism	Trichophyton rubrum	Trichophyton rubrum	MIC	=	25	ug/ml	15104491
NPT766	Organism	Proteus vulgaris	Proteus vulgaris	MIC	=	25	ug/ml	DrugMatrix in vitro pharmacology data
NPT181	Cell Line	Bel-7402	Homo sapiens	IC50	=	7400	nM	20061160
NPT83	Cell Line	MCF7	Homo sapiens	IC50	=	4600	nM	23992864
NPT178	Individual Protein	Protein-tyrosine phosphatase 1B	Homo sapiens	Inhibition	=	25.3	%	17194832

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 NPC160932 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	323
0.1-0.2	1494
0.2-0.3	3897
0.3-0.4	10122
0.4-0.5	3221
0.5-0.6	7564
0.6-0.7	3874
0.7-0.8	352
0.8-0.85	15
0.85-0.9	15
0.9-0.95	10
0.95-1	2

Similarity Score	Similarity Level	Natural Product ID
0.985	High Similarity	NPC89341
0.9632	High Similarity	NPC109346
0.947	High Similarity	NPC163560
0.9398	High Similarity	NPC245386
0.9333	High Similarity	NPC156356
0.9313	High Similarity	NPC85049
0.9242	High Similarity	NPC160081
0.9242	High Similarity	NPC226493
0.9191	High Similarity	NPC168680
0.9167	High Similarity	NPC474614
0.9118	High Similarity	NPC224663
0.9051	High Similarity	NPC271942
0.8864	High Similarity	NPC220311
0.8797	High Similarity	NPC43706
0.8788	High Similarity	NPC137117
0.8779	High Similarity	NPC229213
0.8731	High Similarity	NPC474147
0.8731	High Similarity	NPC473708
0.8712	High Similarity	NPC473572
0.8712	High Similarity	NPC474169
0.8686	High Similarity	NPC300678
0.8686	High Similarity	NPC303011
0.8667	High Similarity	NPC150929
0.8636	High Similarity	NPC47790
0.8623	High Similarity	NPC244890
0.8519	High Similarity	NPC134219
0.8503	High Similarity	NPC7398
0.8473	Intermediate Similarity	NPC38483
0.8456	Intermediate Similarity	NPC13004
0.8429	Intermediate Similarity	NPC312155
0.8355	Intermediate Similarity	NPC475697
0.8289	Intermediate Similarity	NPC474535
0.8214	Intermediate Similarity	NPC43613
0.8207	Intermediate Similarity	NPC118794
0.8176	Intermediate Similarity	NPC88896
0.8162	Intermediate Similarity	NPC84606
0.8148	Intermediate Similarity	NPC136543
0.8134	Intermediate Similarity	NPC474146
0.8133	Intermediate Similarity	NPC152947
0.8106	Intermediate Similarity	NPC79844
0.8088	Intermediate Similarity	NPC219444
0.8043	Intermediate Similarity	NPC142776
0.7949	Intermediate Similarity	NPC38980
0.7941	Intermediate Similarity	NPC227976
0.7941	Intermediate Similarity	NPC470414
0.7817	Intermediate Similarity	NPC474536
0.7815	Intermediate Similarity	NPC113862
0.7744	Intermediate Similarity	NPC471485
0.7724	Intermediate Similarity	NPC471328
0.7667	Intermediate Similarity	NPC184632
0.763	Intermediate Similarity	NPC50782
0.7569	Intermediate Similarity	NPC105702
0.7552	Intermediate Similarity	NPC106511
0.7536	Intermediate Similarity	NPC117759
0.7518	Intermediate Similarity	NPC473451
0.75	Intermediate Similarity	NPC471495
0.7484	Intermediate Similarity	NPC473608
0.7465	Intermediate Similarity	NPC146355
0.7465	Intermediate Similarity	NPC131747
0.7465	Intermediate Similarity	NPC257682
0.7431	Intermediate Similarity	NPC118533
0.7431	Intermediate Similarity	NPC165045
0.7431	Intermediate Similarity	NPC5428
0.7413	Intermediate Similarity	NPC148627
0.7394	Intermediate Similarity	NPC84086
0.7394	Intermediate Similarity	NPC471693
0.7388	Intermediate Similarity	NPC473358
0.7388	Intermediate Similarity	NPC471487
0.7383	Intermediate Similarity	NPC199089
0.7379	Intermediate Similarity	NPC184733
0.7379	Intermediate Similarity	NPC11258
0.7379	Intermediate Similarity	NPC21867
0.7379	Intermediate Similarity	NPC282703
0.7379	Intermediate Similarity	NPC45774
0.7379	Intermediate Similarity	NPC129570
0.7379	Intermediate Similarity	NPC472968
0.7379	Intermediate Similarity	NPC128208
0.7372	Intermediate Similarity	NPC472893
0.7357	Intermediate Similarity	NPC472071
0.7353	Intermediate Similarity	NPC471488
0.7324	Intermediate Similarity	NPC85488
0.7315	Intermediate Similarity	NPC311256
0.7315	Intermediate Similarity	NPC471942
0.7313	Intermediate Similarity	NPC54543
0.7313	Intermediate Similarity	NPC473372
0.731	Intermediate Similarity	NPC21563
0.7308	Intermediate Similarity	NPC178097
0.7305	Intermediate Similarity	NPC471486
0.7299	Intermediate Similarity	NPC120280
0.7299	Intermediate Similarity	NPC94217
0.7286	Intermediate Similarity	NPC477803
0.7286	Intermediate Similarity	NPC181969
0.7286	Intermediate Similarity	NPC320987
0.7279	Intermediate Similarity	NPC153739
0.7279	Intermediate Similarity	NPC126836
0.7279	Intermediate Similarity	NPC241522
0.7279	Intermediate Similarity	NPC187998
0.7279	Intermediate Similarity	NPC174495
0.7279	Intermediate Similarity	NPC257582
0.7279	Intermediate Similarity	NPC42300
0.7279	Intermediate Similarity	NPC92164
0.7279	Intermediate Similarity	NPC242807
0.7279	Intermediate Similarity	NPC77040
0.7279	Intermediate Similarity	NPC143483
0.7279	Intermediate Similarity	NPC64201
0.7279	Intermediate Similarity	NPC145305
0.7273	Intermediate Similarity	NPC280704
0.7273	Intermediate Similarity	NPC136319
0.7266	Intermediate Similarity	NPC293619
0.726	Intermediate Similarity	NPC277458
0.726	Intermediate Similarity	NPC252307
0.726	Intermediate Similarity	NPC307050
0.726	Intermediate Similarity	NPC474178
0.726	Intermediate Similarity	NPC245826
0.7241	Intermediate Similarity	NPC58607
0.7241	Intermediate Similarity	NPC76451
0.7241	Intermediate Similarity	NPC178284
0.7241	Intermediate Similarity	NPC191037
0.7234	Intermediate Similarity	NPC227217
0.7234	Intermediate Similarity	NPC165133
0.7234	Intermediate Similarity	NPC232316
0.7234	Intermediate Similarity	NPC35071
0.7234	Intermediate Similarity	NPC242885
0.7234	Intermediate Similarity	NPC148615
0.7234	Intermediate Similarity	NPC56214
0.7234	Intermediate Similarity	NPC95614
0.7234	Intermediate Similarity	NPC177475
0.7234	Intermediate Similarity	NPC117780
0.723	Intermediate Similarity	NPC15543
0.723	Intermediate Similarity	NPC161557
0.723	Intermediate Similarity	NPC115207
0.723	Intermediate Similarity	NPC474017
0.723	Intermediate Similarity	NPC228346
0.723	Intermediate Similarity	NPC7171
0.723	Intermediate Similarity	NPC40432
0.723	Intermediate Similarity	NPC277804
0.723	Intermediate Similarity	NPC158079
0.723	Intermediate Similarity	NPC27843
0.723	Intermediate Similarity	NPC312341
0.7226	Intermediate Similarity	NPC33244
0.7222	Intermediate Similarity	NPC5796
0.7222	Intermediate Similarity	NPC206487
0.7219	Intermediate Similarity	NPC234952
0.7219	Intermediate Similarity	NPC133025
0.7214	Intermediate Similarity	NPC470626
0.7214	Intermediate Similarity	NPC255675
0.7211	Intermediate Similarity	NPC476968
0.7211	Intermediate Similarity	NPC170844
0.7211	Intermediate Similarity	NPC475875
0.72	Intermediate Similarity	NPC188378
0.72	Intermediate Similarity	NPC289258
0.72	Intermediate Similarity	NPC7515
0.72	Intermediate Similarity	NPC56764
0.72	Intermediate Similarity	NPC469659
0.72	Intermediate Similarity	NPC160697
0.72	Intermediate Similarity	NPC276026
0.72	Intermediate Similarity	NPC555
0.72	Intermediate Similarity	NPC206737
0.7197	Intermediate Similarity	NPC471511
0.7194	Intermediate Similarity	NPC221049
0.7192	Intermediate Similarity	NPC147821
0.7192	Intermediate Similarity	NPC319625
0.7192	Intermediate Similarity	NPC127587
0.7192	Intermediate Similarity	NPC163332
0.7192	Intermediate Similarity	NPC118787
0.7192	Intermediate Similarity	NPC41706
0.7192	Intermediate Similarity	NPC292056
0.7192	Intermediate Similarity	NPC183181
0.7192	Intermediate Similarity	NPC111247
0.7192	Intermediate Similarity	NPC266555
0.7188	Intermediate Similarity	NPC135103
0.7185	Intermediate Similarity	NPC254833
0.7185	Intermediate Similarity	NPC228343
0.7183	Intermediate Similarity	NPC207613
0.7181	Intermediate Similarity	NPC181049
0.7181	Intermediate Similarity	NPC14224
0.7181	Intermediate Similarity	NPC4940
0.7181	Intermediate Similarity	NPC204215
0.7181	Intermediate Similarity	NPC207400
0.7181	Intermediate Similarity	NPC161958
0.7181	Intermediate Similarity	NPC471505
0.7181	Intermediate Similarity	NPC228843
0.7181	Intermediate Similarity	NPC303144
0.7181	Intermediate Similarity	NPC59239
0.7181	Intermediate Similarity	NPC175067
0.7172	Intermediate Similarity	NPC298757
0.7172	Intermediate Similarity	NPC29008
0.7172	Intermediate Similarity	NPC266705
0.7172	Intermediate Similarity	NPC233410
0.7172	Intermediate Similarity	NPC117214
0.7172	Intermediate Similarity	NPC57490
0.7172	Intermediate Similarity	NPC116907
0.7172	Intermediate Similarity	NPC193544
0.7172	Intermediate Similarity	NPC251855
0.7172	Intermediate Similarity	NPC228771
0.7172	Intermediate Similarity	NPC9067
0.7172	Intermediate Similarity	NPC472093
0.7172	Intermediate Similarity	NPC203133
0.7172	Intermediate Similarity	NPC33654
0.7172	Intermediate Similarity	NPC17943

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC160932 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	340
0.1-0.2	1080
0.2-0.3	1932
0.3-0.4	3145
0.4-0.5	1574
0.5-0.6	932
0.6-0.7	154
0.7-0.8	4
0.8-0.85	0
0.85-0.9	0
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.7212	Intermediate Similarity	NPD4010	Discontinued
0.7211	Intermediate Similarity	NPD3027	Phase 3
0.7185	Intermediate Similarity	NPD3021	Approved
0.7185	Intermediate Similarity	NPD3022	Approved
0.6959	Remote Similarity	NPD1530	Clinical (unspecified phase)
0.6957	Remote Similarity	NPD228	Approved
0.6954	Remote Similarity	NPD1613	Approved
0.6954	Remote Similarity	NPD1612	Clinical (unspecified phase)
0.6913	Remote Similarity	NPD1529	Clinical (unspecified phase)
0.6903	Remote Similarity	NPD2029	Clinical (unspecified phase)
0.6815	Remote Similarity	NPD9244	Approved
0.6738	Remote Similarity	NPD5283	Phase 1
0.6732	Remote Similarity	NPD3620	Phase 2
0.6732	Remote Similarity	NPD3619	Clinical (unspecified phase)
0.6667	Remote Similarity	NPD3705	Approved
0.6647	Remote Similarity	NPD4288	Approved
0.6582	Remote Similarity	NPD7266	Discontinued
0.6577	Remote Similarity	NPD3600	Clinical (unspecified phase)
0.6577	Remote Similarity	NPD4379	Clinical (unspecified phase)
0.6519	Remote Similarity	NPD3020	Approved
0.6516	Remote Similarity	NPD1558	Phase 1
0.6516	Remote Similarity	NPD4060	Phase 1
0.6513	Remote Similarity	NPD2861	Phase 2
0.6503	Remote Similarity	NPD4160	Clinical (unspecified phase)
0.649	Remote Similarity	NPD3094	Phase 2
0.6474	Remote Similarity	NPD230	Phase 1
0.6443	Remote Similarity	NPD1610	Phase 2
0.6443	Remote Similarity	NPD3092	Approved
0.6419	Remote Similarity	NPD9381	Approved
0.6419	Remote Similarity	NPD9384	Approved
0.6418	Remote Similarity	NPD2859	Approved
0.6418	Remote Similarity	NPD2860	Approved
0.6408	Remote Similarity	NPD9280	Clinical (unspecified phase)
0.6398	Remote Similarity	NPD5698	Clinical (unspecified phase)
0.6379	Remote Similarity	NPD6688	Approved
0.6379	Remote Similarity	NPD6687	Approved
0.6364	Remote Similarity	NPD4908	Phase 1
0.6358	Remote Similarity	NPD9622	Approved
0.635	Remote Similarity	NPD1242	Phase 1
0.6343	Remote Similarity	NPD2934	Approved
0.6343	Remote Similarity	NPD2933	Approved
0.6337	Remote Similarity	NPD6234	Discontinued
0.633	Remote Similarity	NPD8095	Phase 1
0.6306	Remote Similarity	NPD3062	Approved
0.6306	Remote Similarity	NPD3059	Approved
0.6306	Remote Similarity	NPD3061	Approved
0.6284	Remote Similarity	NPD1548	Phase 1
0.6284	Remote Similarity	NPD3091	Approved
0.6282	Remote Similarity	NPD4907	Clinical (unspecified phase)
0.6258	Remote Similarity	NPD8166	Discontinued
0.625	Remote Similarity	NPD2983	Phase 2
0.625	Remote Similarity	NPD2982	Phase 2
0.6241	Remote Similarity	NPD968	Approved
0.6235	Remote Similarity	NPD37	Approved
0.6235	Remote Similarity	NPD1934	Approved
0.6234	Remote Similarity	NPD9620	Approved
0.6234	Remote Similarity	NPD9621	Approved
0.6234	Remote Similarity	NPD9619	Approved
0.6232	Remote Similarity	NPD289	Clinical (unspecified phase)
0.6226	Remote Similarity	NPD5314	Approved
0.6222	Remote Similarity	NPD1432	Clinical (unspecified phase)
0.622	Remote Similarity	NPD6190	Approved
0.6218	Remote Similarity	NPD4625	Phase 3
0.6209	Remote Similarity	NPD1283	Approved
0.6207	Remote Similarity	NPD9377	Approved
0.6207	Remote Similarity	NPD7635	Approved
0.6207	Remote Similarity	NPD9379	Approved
0.6205	Remote Similarity	NPD7422	Clinical (unspecified phase)
0.6199	Remote Similarity	NPD2393	Clinical (unspecified phase)
0.6196	Remote Similarity	NPD3060	Approved
0.6196	Remote Similarity	NPD6674	Discontinued
0.6194	Remote Similarity	NPD3018	Phase 2
0.619	Remote Similarity	NPD7157	Approved
0.6184	Remote Similarity	NPD2981	Phase 2
0.6178	Remote Similarity	NPD3764	Approved
0.6178	Remote Similarity	NPD2028	Clinical (unspecified phase)
0.6178	Remote Similarity	NPD5110	Phase 2
0.6178	Remote Similarity	NPD5111	Phase 2
0.6178	Remote Similarity	NPD5109	Approved
0.6169	Remote Similarity	NPD4339	Clinical (unspecified phase)
0.6168	Remote Similarity	NPD5261	Clinical (unspecified phase)
0.6164	Remote Similarity	NPD5735	Approved
0.6163	Remote Similarity	NPD2296	Approved
0.6154	Remote Similarity	NPD2684	Approved
0.6154	Remote Similarity	NPD4005	Discontinued
0.6145	Remote Similarity	NPD1511	Approved
0.6144	Remote Similarity	NPD1669	Approved
0.6133	Remote Similarity	NPD1651	Approved
0.6133	Remote Similarity	NPD1357	Approved
0.6131	Remote Similarity	NPD288	Approved
0.6129	Remote Similarity	NPD6917	Clinical (unspecified phase)
0.6129	Remote Similarity	NPD6584	Phase 3
0.6127	Remote Similarity	NPD4965	Approved
0.6127	Remote Similarity	NPD4967	Phase 2
0.6127	Remote Similarity	NPD4966	Approved
0.6121	Remote Similarity	NPD2677	Approved
0.6115	Remote Similarity	NPD1223	Clinical (unspecified phase)
0.6111	Remote Similarity	NPD4750	Phase 3
0.6107	Remote Similarity	NPD5536	Phase 2
0.6104	Remote Similarity	NPD6696	Suspended
0.6101	Remote Similarity	NPD2238	Phase 2
0.6101	Remote Similarity	NPD943	Approved
0.6096	Remote Similarity	NPD7843	Approved
0.6093	Remote Similarity	NPD5125	Phase 3
0.6093	Remote Similarity	NPD3095	Discontinued
0.6093	Remote Similarity	NPD5126	Approved
0.6093	Remote Similarity	NPD4626	Approved
0.609	Remote Similarity	NPD9494	Approved
0.6089	Remote Similarity	NPD7228	Approved
0.6084	Remote Similarity	NPD2342	Discontinued
0.6081	Remote Similarity	NPD709	Approved
0.6081	Remote Similarity	NPD6671	Approved
0.6078	Remote Similarity	NPD2230	Approved
0.6078	Remote Similarity	NPD2233	Approved
0.6078	Remote Similarity	NPD1840	Phase 2
0.6078	Remote Similarity	NPD1608	Approved
0.6078	Remote Similarity	NPD2232	Approved
0.6076	Remote Similarity	NPD597	Approved
0.6076	Remote Similarity	NPD598	Approved
0.6076	Remote Similarity	NPD601	Approved
0.6074	Remote Similarity	NPD1375	Discontinued
0.6071	Remote Similarity	NPD940	Approved
0.6071	Remote Similarity	NPD1512	Approved
0.6071	Remote Similarity	NPD846	Approved
0.6066	Remote Similarity	NPD3337	Discontinued
0.6065	Remote Similarity	NPD3053	Approved
0.6065	Remote Similarity	NPD3055	Approved
0.6062	Remote Similarity	NPD3657	Discovery
0.6058	Remote Similarity	NPD844	Approved
0.6048	Remote Similarity	NPD6143	Clinical (unspecified phase)
0.6039	Remote Similarity	NPD4749	Approved
0.6038	Remote Similarity	NPD1132	Approved
0.6038	Remote Similarity	NPD2674	Phase 3
0.6038	Remote Similarity	NPD1136	Approved
0.6038	Remote Similarity	NPD1130	Approved
0.6034	Remote Similarity	NPD4868	Clinical (unspecified phase)
0.6026	Remote Similarity	NPD4624	Approved
0.6026	Remote Similarity	NPD4093	Discontinued
0.6025	Remote Similarity	NPD817	Approved
0.6025	Remote Similarity	NPD823	Approved
0.6024	Remote Similarity	NPD5241	Discontinued
0.6024	Remote Similarity	NPD5307	Clinical (unspecified phase)
0.6013	Remote Similarity	NPD1281	Approved
0.6013	Remote Similarity	NPD7095	Approved
0.6012	Remote Similarity	NPD4123	Phase 3
0.6012	Remote Similarity	NPD1632	Clinical (unspecified phase)
0.6012	Remote Similarity	NPD2978	Approved
0.6012	Remote Similarity	NPD1465	Phase 2
0.6012	Remote Similarity	NPD2977	Approved
0.6012	Remote Similarity	NPD2801	Approved
0.6	Remote Similarity	NPD826	Approved
0.6	Remote Similarity	NPD1792	Phase 2
0.6	Remote Similarity	NPD825	Approved
0.6	Remote Similarity	NPD4236	Phase 3
0.6	Remote Similarity	NPD5310	Approved
0.6	Remote Similarity	NPD4237	Approved
0.6	Remote Similarity	NPD8651	Approved
0.6	Remote Similarity	NPD5311	Approved
0.5989	Remote Similarity	NPD4287	Approved
0.5988	Remote Similarity	NPD4538	Approved
0.5988	Remote Similarity	NPD4537	Clinical (unspecified phase)
0.5988	Remote Similarity	NPD4536	Approved
0.5987	Remote Similarity	NPD4059	Approved
0.5987	Remote Similarity	NPD3019	Approved
0.5987	Remote Similarity	NPD5736	Approved
0.5987	Remote Similarity	NPD2286	Discontinued
0.5987	Remote Similarity	NPD2932	Approved
0.5976	Remote Similarity	NPD5763	Approved
0.5976	Remote Similarity	NPD5762	Approved
0.5975	Remote Similarity	NPD6410	Clinical (unspecified phase)
0.5964	Remote Similarity	NPD4628	Phase 3
0.596	Remote Similarity	NPD9545	Approved
0.5955	Remote Similarity	NPD6232	Discontinued
0.5951	Remote Similarity	NPD1753	Discontinued
0.5951	Remote Similarity	NPD651	Clinical (unspecified phase)
0.5943	Remote Similarity	NPD3882	Suspended
0.5942	Remote Similarity	NPD1809	Phase 2
0.5939	Remote Similarity	NPD970	Clinical (unspecified phase)
0.5935	Remote Similarity	NPD6583	Phase 3
0.5935	Remote Similarity	NPD6582	Phase 2
0.5935	Remote Similarity	NPD5327	Phase 3
0.5924	Remote Similarity	NPD257	Approved
0.5924	Remote Similarity	NPD258	Approved
0.5921	Remote Similarity	NPD5691	Approved
0.5912	Remote Similarity	NPD9718	Approved
0.5909	Remote Similarity	NPD1611	Approved
0.5909	Remote Similarity	NPD1201	Approved
0.5909	Remote Similarity	NPD1091	Approved
0.5909	Remote Similarity	NPD111	Approved
0.5906	Remote Similarity	NPD497	Approved
0.5906	Remote Similarity	NPD1653	Approved
0.5901	Remote Similarity	NPD4140	Approved
0.5901	Remote Similarity	NPD2979	Phase 3
0.5899	Remote Similarity	NPD7199	Phase 2
0.5897	Remote Similarity	NPD9634	Clinical (unspecified phase)
0.589	Remote Similarity	NPD5451	Approved
0.5889	Remote Similarity	NPD6166	Phase 2
0.5889	Remote Similarity	NPD6167	Clinical (unspecified phase)
0.5889	Remote Similarity	NPD6168	Clinical (unspecified phase)
0.5882	Remote Similarity	NPD17	Approved

Structure

NPC160932 OpenBabel07101718322D 23 24 0 0 0 0 0 0 0 0999 V2000 2.5981 -2.5000 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 1.7321 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1962 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 -1.0000 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 3.4641 -1.0000 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 5.1962 -0.0000 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 3.4641 -0.0000 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 4.3301 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 -2.5000 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 0.5000 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 -1.5000 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0622 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 2 6 1 0 0 0 0 2 8 1 0 0 0 0 3 6 2 0 0 0 0 3 9 1 0 0 0 0 4 7 2 0 0 0 0 4 10 1 0 0 0 0 5 7 1 0 0 0 0 5 23 1 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 8 12 2 0 0 0 0 9 15 2 0 0 0 0 9 19 1 0 0 0 0 10 14 2 0 0 0 0 10 20 1 0 0 0 0 11 13 2 0 0 0 0 11 16 1 0 0 0 0 12 14 1 0 0 0 0 12 17 1 0 0 0 0 13 15 1 0 0 0 0 13 18 1 0 0 0 0 14 21 1 0 0 0 0 15 22 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	10324137
ChEMBL	CHEMBL252676
ZINC

Physicochemical Properties

Molecular Weight:	509.83
ALogP:	1.2412
MLogP:	2.23
XLogP:	2.925
# Rotatable Bonds:	12
Polar Surface Area:	90.15
# H-Bond Aceptor:	1
# H-Bond Donor:	4
# Rings:	2
# Heavy Atoms:	23

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