NPASS Natural Product

Natural Product: NPC167908

Natural Product ID:	NPC167908
Common Name:	Dendridine A
IUPAC Name:	3-(2-aminoethyl)-4-[3-(2-aminoethyl)-5-bromo-7-hydroxy-1H-indol-4-yl]-5-bromo-1H-indol-7-ol
Synonyms:
Molecular Formula:	C20H20Br2N4O2
Standard InCHIKey:	WOFRPUHHIHPQGR-UHFFFAOYSA-N
Standard InCHI:	InChI=1S/C20H20Br2N4O2/c21-11-5-13(27)19-15(9(1-3-23)7-25-19)17(11)18-12(22)6-14(28)20-16(18)10(2-4-24)8-26-20/h5-8,25-28H,1-4,23-24H2
Canonical SMILES:	NCCc1c[nH]c2c1c(c(Br)cc2O)c1c(Br)cc(c2c1c(CCN)c[nH]2)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
NPO32461	Dictyodendrilla	Genus	Dictyodendrillidae	Eukaryota				PMID[16124778]

Biological Activity

Activity Type	# Activity
MIC	4

Activity Type	# Activity
Cell Line	1
Organism	3

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT79	Organism	Bacillus subtilis	Bacillus subtilis	MIC	=	8.3	ug/ml	23999046
NPT729	Organism	Micrococcus luteus	Micrococcus luteus	MIC	=	4.2	ug/ml	10.1016/j.cropro.2009.01.011
NPT85	Organism	Filobasidiella neoformans	Cryptococcus neoformans	MIC	=	8.3	ug/ml	10.1016/j.cropro.2009.01.011
NPT137	Cell Line	L1210	Mus musculus	MIC	=	32.5	ug/ml	10.1016/j.cropro.2009.01.011

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 NPC167908 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	546
0.1-0.2	4220
0.2-0.3	8966
0.3-0.4	11385
0.4-0.5	3489
0.5-0.6	1403
0.6-0.7	757
0.7-0.8	118
0.8-0.85	5
0.85-0.9	0
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Natural Product ID
0.8357	Intermediate Similarity	NPC477609
0.8169	Intermediate Similarity	NPC477610
0.81	Intermediate Similarity	NPC477608
0.8077	Intermediate Similarity	NPC475746
0.8037	Intermediate Similarity	NPC470501
0.7937	Intermediate Similarity	NPC477607
0.7919	Intermediate Similarity	NPC470503
0.7864	Intermediate Similarity	NPC99666
0.7828	Intermediate Similarity	NPC470502
0.7778	Intermediate Similarity	NPC117980
0.7762	Intermediate Similarity	NPC192315
0.7725	Intermediate Similarity	NPC476167
0.7682	Intermediate Similarity	NPC142901
0.7628	Intermediate Similarity	NPC470505
0.7547	Intermediate Similarity	NPC77555
0.7524	Intermediate Similarity	NPC324149
0.75	Intermediate Similarity	NPC475774
0.75	Intermediate Similarity	NPC222018
0.7488	Intermediate Similarity	NPC314002
0.7476	Intermediate Similarity	NPC220765
0.7465	Intermediate Similarity	NPC470500
0.7455	Intermediate Similarity	NPC5145
0.7452	Intermediate Similarity	NPC171171
0.744	Intermediate Similarity	NPC204717
0.7426	Intermediate Similarity	NPC470504
0.7422	Intermediate Similarity	NPC292958
0.7416	Intermediate Similarity	NPC46580
0.7407	Intermediate Similarity	NPC475935
0.7407	Intermediate Similarity	NPC52909
0.7407	Intermediate Similarity	NPC94211
0.7403	Intermediate Similarity	NPC476451
0.7387	Intermediate Similarity	NPC128084
0.7373	Intermediate Similarity	NPC470678
0.7371	Intermediate Similarity	NPC279189
0.7361	Intermediate Similarity	NPC23420
0.7361	Intermediate Similarity	NPC205254
0.7361	Intermediate Similarity	NPC303820
0.7361	Intermediate Similarity	NPC106771
0.735	Intermediate Similarity	NPC162002
0.7336	Intermediate Similarity	NPC245348
0.733	Intermediate Similarity	NPC80596
0.7306	Intermediate Similarity	NPC475070
0.7304	Intermediate Similarity	NPC60006
0.7297	Intermediate Similarity	NPC199667
0.7289	Intermediate Similarity	NPC470799
0.7289	Intermediate Similarity	NPC8022
0.7285	Intermediate Similarity	NPC477111
0.7282	Intermediate Similarity	NPC184964
0.7273	Intermediate Similarity	NPC477113
0.7257	Intermediate Similarity	NPC304926
0.7257	Intermediate Similarity	NPC476041
0.7255	Intermediate Similarity	NPC252590
0.7252	Intermediate Similarity	NPC473181
0.7246	Intermediate Similarity	NPC26641
0.7229	Intermediate Similarity	NPC202503
0.7225	Intermediate Similarity	NPC264285
0.7222	Intermediate Similarity	NPC200553
0.7222	Intermediate Similarity	NPC156704
0.7206	Intermediate Similarity	NPC314940
0.7206	Intermediate Similarity	NPC473764
0.72	Intermediate Similarity	NPC266931
0.7198	Intermediate Similarity	NPC473185
0.7198	Intermediate Similarity	NPC59269
0.7195	Intermediate Similarity	NPC476124
0.7185	Intermediate Similarity	NPC477861
0.7162	Intermediate Similarity	NPC276657
0.7162	Intermediate Similarity	NPC132642
0.7161	Intermediate Similarity	NPC174489
0.7149	Intermediate Similarity	NPC471891
0.7143	Intermediate Similarity	NPC130570
0.7137	Intermediate Similarity	NPC326363
0.713	Intermediate Similarity	NPC18348
0.7125	Intermediate Similarity	NPC473312
0.7124	Intermediate Similarity	NPC6215
0.7123	Intermediate Similarity	NPC315491
0.7123	Intermediate Similarity	NPC45459
0.7118	Intermediate Similarity	NPC473179
0.7115	Intermediate Similarity	NPC96890
0.7111	Intermediate Similarity	NPC246518
0.7105	Intermediate Similarity	NPC293151
0.7105	Intermediate Similarity	NPC477114
0.7104	Intermediate Similarity	NPC245816
0.7104	Intermediate Similarity	NPC476138
0.7089	Intermediate Similarity	NPC325976
0.7083	Intermediate Similarity	NPC307963
0.7081	Intermediate Similarity	NPC42979
0.708	Intermediate Similarity	NPC26679
0.708	Intermediate Similarity	NPC94157
0.708	Intermediate Similarity	NPC473180
0.7076	Intermediate Similarity	NPC101543
0.7076	Intermediate Similarity	NPC469554
0.7075	Intermediate Similarity	NPC15102
0.7069	Intermediate Similarity	NPC211416
0.7067	Intermediate Similarity	NPC11464
0.7067	Intermediate Similarity	NPC224764
0.7064	Intermediate Similarity	NPC153042
0.7061	Intermediate Similarity	NPC74969
0.7061	Intermediate Similarity	NPC170114
0.7061	Intermediate Similarity	NPC477110
0.7059	Intermediate Similarity	NPC473761
0.7056	Intermediate Similarity	NPC128751
0.7056	Intermediate Similarity	NPC246700
0.7051	Intermediate Similarity	NPC326634
0.7046	Intermediate Similarity	NPC473182
0.7042	Intermediate Similarity	NPC37152
0.704	Intermediate Similarity	NPC476121
0.704	Intermediate Similarity	NPC175602
0.7035	Intermediate Similarity	NPC208284
0.7031	Intermediate Similarity	NPC314552
0.703	Intermediate Similarity	NPC92796
0.703	Intermediate Similarity	NPC135141
0.7029	Intermediate Similarity	NPC15801
0.7026	Intermediate Similarity	NPC16352
0.7023	Intermediate Similarity	NPC106833
0.7023	Intermediate Similarity	NPC469497
0.7022	Intermediate Similarity	NPC185782
0.7018	Intermediate Similarity	NPC242209
0.7018	Intermediate Similarity	NPC470549
0.7017	Intermediate Similarity	NPC97902
0.7017	Intermediate Similarity	NPC33064
0.7004	Intermediate Similarity	NPC294620
0.7004	Intermediate Similarity	NPC110182
0.7	Intermediate Similarity	NPC11408
0.6986	Remote Similarity	NPC262898
0.6983	Remote Similarity	NPC473317
0.6977	Remote Similarity	NPC32771
0.6971	Remote Similarity	NPC477611
0.6968	Remote Similarity	NPC213308
0.6959	Remote Similarity	NPC473342
0.6959	Remote Similarity	NPC477167
0.6959	Remote Similarity	NPC477166
0.6959	Remote Similarity	NPC304187
0.6958	Remote Similarity	NPC473183
0.6947	Remote Similarity	NPC61038
0.6947	Remote Similarity	NPC476116
0.6947	Remote Similarity	NPC209769
0.6946	Remote Similarity	NPC473184
0.6944	Remote Similarity	NPC76748
0.6942	Remote Similarity	NPC217554
0.6942	Remote Similarity	NPC109447
0.6941	Remote Similarity	NPC179701
0.6941	Remote Similarity	NPC251090
0.6936	Remote Similarity	NPC214142
0.6936	Remote Similarity	NPC319232
0.6936	Remote Similarity	NPC24370
0.693	Remote Similarity	NPC207020
0.693	Remote Similarity	NPC316981
0.6923	Remote Similarity	NPC51388
0.692	Remote Similarity	NPC285558
0.6919	Remote Similarity	NPC72980
0.6912	Remote Similarity	NPC92111
0.6912	Remote Similarity	NPC131718
0.6908	Remote Similarity	NPC63751
0.6907	Remote Similarity	NPC118559
0.6907	Remote Similarity	NPC124920
0.6907	Remote Similarity	NPC261251
0.6907	Remote Similarity	NPC304307
0.6907	Remote Similarity	NPC34580
0.6901	Remote Similarity	NPC48938
0.69	Remote Similarity	NPC476287
0.6898	Remote Similarity	NPC296527
0.6898	Remote Similarity	NPC321708
0.6897	Remote Similarity	NPC193267
0.6897	Remote Similarity	NPC255110
0.6897	Remote Similarity	NPC213530
0.6894	Remote Similarity	NPC125597
0.6878	Remote Similarity	NPC100547
0.6878	Remote Similarity	NPC253580
0.6875	Remote Similarity	NPC245055
0.6864	Remote Similarity	NPC132631
0.6864	Remote Similarity	NPC103687
0.6862	Remote Similarity	NPC207686
0.6862	Remote Similarity	NPC63031
0.686	Remote Similarity	NPC41679
0.6857	Remote Similarity	NPC284141
0.6854	Remote Similarity	NPC474798
0.6849	Remote Similarity	NPC95240
0.6849	Remote Similarity	NPC322135
0.6849	Remote Similarity	NPC329541
0.6849	Remote Similarity	NPC223409
0.6847	Remote Similarity	NPC128823
0.6846	Remote Similarity	NPC295228
0.6846	Remote Similarity	NPC272549
0.684	Remote Similarity	NPC88363
0.6837	Remote Similarity	NPC94943
0.6835	Remote Similarity	NPC470126
0.6826	Remote Similarity	NPC207866
0.682	Remote Similarity	NPC14288
0.6816	Remote Similarity	NPC19872
0.6812	Remote Similarity	NPC82370
0.681	Remote Similarity	NPC27041
0.681	Remote Similarity	NPC247980
0.681	Remote Similarity	NPC313791
0.6807	Remote Similarity	NPC314954
0.6803	Remote Similarity	NPC81175
0.68	Remote Similarity	NPC223427
0.6793	Remote Similarity	NPC214980
0.6792	Remote Similarity	NPC54803
0.6792	Remote Similarity	NPC321592
0.6791	Remote Similarity	NPC190007

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC167908 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	300
0.1-0.2	791
0.2-0.3	998
0.3-0.4	2133
0.4-0.5	2952
0.5-0.6	1567
0.6-0.7	397
0.7-0.8	23
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
0.7799	Intermediate Similarity	NPD7948	Phase 1
0.7571	Intermediate Similarity	NPD5575	Clinical (unspecified phase)
0.7456	Intermediate Similarity	NPD7603	Discontinued
0.7395	Intermediate Similarity	NPD2175	Phase 3
0.7395	Intermediate Similarity	NPD2176	Approved
0.7395	Intermediate Similarity	NPD2177	Approved
0.7366	Intermediate Similarity	NPD5612	Discontinued
0.7327	Intermediate Similarity	NPD4511	Phase 1
0.7265	Intermediate Similarity	NPD5936	Approved
0.7265	Intermediate Similarity	NPD5939	Approved
0.724	Intermediate Similarity	NPD6290	Phase 2
0.7225	Intermediate Similarity	NPD8405	Clinical (unspecified phase)
0.7156	Intermediate Similarity	NPD6344	Clinical (unspecified phase)
0.7149	Intermediate Similarity	NPD8109	Clinical (unspecified phase)
0.7129	Intermediate Similarity	NPD6595	Phase 3
0.7123	Intermediate Similarity	NPD484	Approved
0.7111	Intermediate Similarity	NPD4502	Phase 2
0.7083	Intermediate Similarity	NPD1038	Approved
0.7059	Intermediate Similarity	NPD6975	Discontinued
0.7039	Intermediate Similarity	NPD7586	Clinical (unspecified phase)
0.7031	Intermediate Similarity	NPD5164	Discontinued
0.7019	Intermediate Similarity	NPD9690	Approved
0.7019	Intermediate Similarity	NPD5065	Approved
0.6987	Remote Similarity	NPD6803	Clinical (unspecified phase)
0.6952	Remote Similarity	NPD6203	Clinical (unspecified phase)
0.6927	Remote Similarity	NPD1304	Clinical (unspecified phase)
0.6923	Remote Similarity	NPD8395	Approved
0.6923	Remote Similarity	NPD8396	Approved
0.6917	Remote Similarity	NPD4454	Phase 2
0.6916	Remote Similarity	NPD6610	Clinical (unspecified phase)
0.6912	Remote Similarity	NPD9705	Discontinued
0.6912	Remote Similarity	NPD112	Approved
0.69	Remote Similarity	NPD2616	Phase 3
0.69	Remote Similarity	NPD2615	Phase 3
0.6894	Remote Similarity	NPD4890	Phase 2
0.6862	Remote Similarity	NPD3746	Discontinued
0.6847	Remote Similarity	NPD3825	Phase 3
0.6833	Remote Similarity	NPD5040	Clinical (unspecified phase)
0.6792	Remote Similarity	NPD6159	Phase 2
0.6783	Remote Similarity	NPD3330	Phase 1
0.6782	Remote Similarity	NPD9706	Clinical (unspecified phase)
0.6774	Remote Similarity	NPD8431	Approved
0.6773	Remote Similarity	NPD9695	Approved
0.6773	Remote Similarity	NPD802	Phase 2
0.6763	Remote Similarity	NPD7558	Phase 2
0.6739	Remote Similarity	NPD5067	Phase 2
0.6739	Remote Similarity	NPD5066	Phase 2
0.6714	Remote Similarity	NPD4184	Clinical (unspecified phase)
0.6696	Remote Similarity	NPD3814	Phase 1
0.6691	Remote Similarity	NPD8349	Phase 1
0.6681	Remote Similarity	NPD7671	Approved
0.6681	Remote Similarity	NPD7672	Approved
0.6667	Remote Similarity	NPD7470	Discontinued
0.6667	Remote Similarity	NPD7823	Clinical (unspecified phase)
0.6667	Remote Similarity	NPD1856	Discontinued
0.6667	Remote Similarity	NPD5069	Clinical (unspecified phase)
0.6652	Remote Similarity	NPD2125	Clinical (unspecified phase)
0.6652	Remote Similarity	NPD6991	Approved
0.6639	Remote Similarity	NPD3006	Discontinued
0.6635	Remote Similarity	NPD1325	Approved
0.6635	Remote Similarity	NPD1326	Approved
0.6609	Remote Similarity	NPD2187	Approved
0.6609	Remote Similarity	NPD2189	Approved
0.6605	Remote Similarity	NPD4079	Approved
0.6605	Remote Similarity	NPD4076	Approved
0.6577	Remote Similarity	NPD9689	Approved
0.6567	Remote Similarity	NPD8093	Discontinued
0.6565	Remote Similarity	NPD7453	Approved
0.6565	Remote Similarity	NPD7222	Phase 2
0.6565	Remote Similarity	NPD7452	Approved
0.6562	Remote Similarity	NPD6449	Clinical (unspecified phase)
0.6558	Remote Similarity	NPD3505	Approved
0.6558	Remote Similarity	NPD3506	Approved
0.6549	Remote Similarity	NPD4548	Discontinued
0.6545	Remote Similarity	NPD6141	Clinical (unspecified phase)
0.6544	Remote Similarity	NPD7414	Clinical (unspecified phase)
0.654	Remote Similarity	NPD424	Approved
0.654	Remote Similarity	NPD425	Approved
0.6538	Remote Similarity	NPD1322	Clinical (unspecified phase)
0.6538	Remote Similarity	NPD604	Clinical (unspecified phase)
0.6529	Remote Similarity	NPD5559	Phase 2
0.6525	Remote Similarity	NPD6456	Discontinued
0.6522	Remote Similarity	NPD8403	Phase 1
0.6516	Remote Similarity	NPD8110	Clinical (unspecified phase)
0.6514	Remote Similarity	NPD5522	Clinical (unspecified phase)
0.6513	Remote Similarity	NPD6242	Discontinued
0.6502	Remote Similarity	NPD3404	Approved
0.6498	Remote Similarity	NPD8464	Clinical (unspecified phase)
0.6494	Remote Similarity	NPD6838	Clinical (unspecified phase)
0.6494	Remote Similarity	NPD1392	Approved
0.6486	Remote Similarity	NPD1213	Phase 3
0.6483	Remote Similarity	NPD5287	Discontinued
0.6478	Remote Similarity	NPD5901	Discontinued
0.6478	Remote Similarity	NPD5426	Phase 3
0.6475	Remote Similarity	NPD8106	Phase 2
0.6471	Remote Similarity	NPD2383	Phase 1
0.6471	Remote Similarity	NPD534	Phase 2
0.6471	Remote Similarity	NPD537	Phase 2
0.6463	Remote Similarity	NPD3928	Approved
0.6463	Remote Similarity	NPD3931	Approved
0.645	Remote Similarity	NPD3003	Approved
0.6444	Remote Similarity	NPD3324	Clinical (unspecified phase)
0.6441	Remote Similarity	NPD6140	Clinical (unspecified phase)
0.6438	Remote Similarity	NPD5728	Clinical (unspecified phase)
0.6432	Remote Similarity	NPD2781	Approved
0.6429	Remote Similarity	NPD9398	Clinical (unspecified phase)
0.6429	Remote Similarity	NPD6569	Phase 2
0.6429	Remote Similarity	NPD4429	Discontinued
0.6415	Remote Similarity	NPD2782	Approved
0.6415	Remote Similarity	NPD2780	Approved
0.6414	Remote Similarity	NPD5191	Clinical (unspecified phase)
0.6414	Remote Similarity	NPD7112	Discontinued
0.6407	Remote Similarity	NPD4795	Phase 2
0.6404	Remote Similarity	NPD9688	Approved
0.6404	Remote Similarity	NPD9687	Approved
0.6402	Remote Similarity	NPD3763	Approved
0.64	Remote Similarity	NPD3872	Phase 3
0.6398	Remote Similarity	NPD8094	Discontinued
0.6396	Remote Similarity	NPD3486	Clinical (unspecified phase)
0.6395	Remote Similarity	NPD5658	Approved
0.6395	Remote Similarity	NPD7947	Clinical (unspecified phase)
0.6392	Remote Similarity	NPD6503	Clinical (unspecified phase)
0.6389	Remote Similarity	NPD482	Approved
0.6379	Remote Similarity	NPD4862	Clinical (unspecified phase)
0.6364	Remote Similarity	NPD2094	Phase 2
0.6364	Remote Similarity	NPD4886	Phase 2
0.6364	Remote Similarity	NPD2095	Phase 2
0.6364	Remote Similarity	NPD2092	Phase 2
0.6359	Remote Similarity	NPD749	Clinical (unspecified phase)
0.6356	Remote Similarity	NPD3924	Approved
0.6356	Remote Similarity	NPD3922	Approved
0.6356	Remote Similarity	NPD3923	Approved
0.6356	Remote Similarity	NPD3921	Approved
0.6356	Remote Similarity	NPD6494	Phase 2
0.6353	Remote Similarity	NPD3809	Discontinued
0.6352	Remote Similarity	NPD3930	Clinical (unspecified phase)
0.6352	Remote Similarity	NPD4845	Discontinued
0.6352	Remote Similarity	NPD8493	Clinical (unspecified phase)
0.6351	Remote Similarity	NPD706	Phase 1
0.6349	Remote Similarity	NPD7726	Phase 1
0.6345	Remote Similarity	NPD4344	Clinical (unspecified phase)
0.6345	Remote Similarity	NPD4343	Phase 1
0.6336	Remote Similarity	NPD32	Approved
0.6336	Remote Similarity	NPD4033	Approved
0.6336	Remote Similarity	NPD4037	Approved
0.6336	Remote Similarity	NPD4122	Approved
0.6336	Remote Similarity	NPD4035	Approved
0.6336	Remote Similarity	NPD4036	Approved
0.6336	Remote Similarity	NPD4039	Approved
0.6336	Remote Similarity	NPD4034	Approved
0.6336	Remote Similarity	NPD4038	Approved
0.6336	Remote Similarity	NPD31	Approved
0.6335	Remote Similarity	NPD2091	Phase 2
0.6335	Remote Similarity	NPD2096	Phase 2
0.6333	Remote Similarity	NPD3402	Phase 1
0.6332	Remote Similarity	NPD7621	Clinical (unspecified phase)
0.6332	Remote Similarity	NPD4118	Clinical (unspecified phase)
0.633	Remote Similarity	NPD2144	Approved
0.6329	Remote Similarity	NPD4463	Approved
0.6329	Remote Similarity	NPD4462	Approved
0.6323	Remote Similarity	NPD3961	Discontinued
0.6314	Remote Similarity	NPD8013	Clinical (unspecified phase)
0.6313	Remote Similarity	NPD4128	Approved
0.6312	Remote Similarity	NPD8284	Discontinued
0.6309	Remote Similarity	NPD3932	Clinical (unspecified phase)
0.6309	Remote Similarity	NPD7001	Phase 3
0.6307	Remote Similarity	NPD7678	Clinical (unspecified phase)
0.6306	Remote Similarity	NPD7424	Clinical (unspecified phase)
0.6305	Remote Similarity	NPD5891	Approved
0.6304	Remote Similarity	NPD1739	Approved
0.6304	Remote Similarity	NPD1740	Approved
0.6303	Remote Similarity	NPD5903	Approved
0.6303	Remote Similarity	NPD5902	Approved
0.6301	Remote Similarity	NPD7567	Approved
0.6301	Remote Similarity	NPD5022	Discontinued
0.63	Remote Similarity	NPD6491	Clinical (unspecified phase)
0.6293	Remote Similarity	NPD8244	Phase 2
0.6291	Remote Similarity	NPD5140	Approved
0.6291	Remote Similarity	NPD5138	Approved
0.6287	Remote Similarity	NPD2794	Discontinued
0.6287	Remote Similarity	NPD8458	Clinical (unspecified phase)
0.6284	Remote Similarity	NPD6531	Approved
0.6284	Remote Similarity	NPD6530	Approved
0.6283	Remote Similarity	NPD996	Phase 2
0.6283	Remote Similarity	NPD994	Phase 2
0.6282	Remote Similarity	NPD796	Phase 2
0.6281	Remote Similarity	NPD4881	Clinical (unspecified phase)
0.628	Remote Similarity	NPD4374	Clinical (unspecified phase)
0.628	Remote Similarity	NPD1183	Approved
0.6276	Remote Similarity	NPD2763	Phase 2
0.6276	Remote Similarity	NPD6643	Discontinued
0.6273	Remote Similarity	NPD6452	Discontinued
0.6271	Remote Similarity	NPD7809	Clinical (unspecified phase)
0.627	Remote Similarity	NPD6976	Clinical (unspecified phase)
0.6267	Remote Similarity	NPD6281	Approved
0.6267	Remote Similarity	NPD5117	Phase 2
0.6266	Remote Similarity	NPD3875	Discontinued
0.6266	Remote Similarity	NPD3514	Clinical (unspecified phase)
0.6262	Remote Similarity	NPD925	Approved
0.6262	Remote Similarity	NPD926	Approved

Structure

NPC167908 OpenBabel07101718292D 28 31 0 0 0 0 0 0 0 0999 V2000 -4.4679 1.8313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0057 -1.5037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7673 2.7527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7063 -2.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9147 -1.7737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5589 2.1013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0796 1.2127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3940 -0.8850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1161 1.1114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3575 -0.7837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0758 -1.2893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3978 1.6170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7537 -1.2893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7199 1.6170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9147 0.1638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5589 0.1638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0758 -0.3205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3978 0.6482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7537 -0.3205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7199 0.6482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2368 -1.7737 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -3.2368 2.1013 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -4.1191 3.4726 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7587 -2.6264 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.4736 0.3277 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 -6.5927 -1.7737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1190 2.1013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 9 1 0 0 0 0 2 4 1 0 0 0 0 2 10 1 0 0 0 0 3 23 1 0 0 0 0 4 24 1 0 0 0 0 5 11 2 0 0 0 0 5 13 1 0 0 0 0 6 12 2 0 0 0 0 6 14 1 0 0 0 0 7 9 2 0 0 0 0 7 25 1 0 0 0 0 8 10 2 0 0 0 0 8 26 1 0 0 0 0 9 15 1 0 0 0 0 10 16 1 0 0 0 0 11 17 1 0 0 0 0 11 21 1 0 0 0 0 12 18 1 0 0 0 0 12 22 1 0 0 0 0 13 19 2 0 0 0 0 13 27 1 0 0 0 0 14 20 2 0 0 0 0 14 28 1 0 0 0 0 15 17 2 0 0 0 0 15 19 1 0 0 0 0 16 18 2 0 0 0 0 16 20 1 0 0 0 0 17 18 1 0 0 0 0 19 25 1 0 0 0 0 20 26 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	11591550
ChEMBL	CHEMBL470239
ZINC

Physicochemical Properties

Molecular Weight:	506.00
ALogP:	-0.9492
MLogP:	2.78
XLogP:	1.988
# Rotatable Bonds:	11
Polar Surface Area:	124.08
# H-Bond Aceptor:	4
# H-Bond Donor:	6
# Rings:	4
# Heavy Atoms:	28

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