NPASS Natural Product

Natural Product: NPC135103

Natural Product ID:	NPC135103
Common Name:	2',5',6',5,6-Pentabromo-3',4',3,4-Tetramethoxybenzophenone
IUPAC Name:	(2,3-dibromo-4,5-dimethoxyphenyl)-(2,3,6-tribromo-4,5-dimethoxyphenyl)methanone
Synonyms:
Molecular Formula:	C17H13Br5O5
Standard InCHIKey:	GXRNTNZGKHIUAC-UHFFFAOYSA-N
Standard InCHI:	InChI=1S/C17H13Br5O5/c1-24-7-5-6(9(18)12(21)15(7)25-2)14(23)8-10(19)13(22)17(27-4)16(26-3)11(8)20/h5H,1-4H3
Canonical SMILES:	COc1c(OC)cc(c(c1Br)Br)C(=O)c1c(Br)c(Br)c(c(c1Br)OC)OC
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
NPO21509	Laurencia similis	Species	Rhodomelaceae	Eukaryota				PMID[20961755]

Biological Activity

Activity Type	# Activity
IC50	2
Others	2

Activity Type	# Activity
Individual Protein	4

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT178	Individual Protein	Protein-tyrosine phosphatase 1B	Homo sapiens	IC50	=	2.66	ug/ml	18177008
NPT178	Individual Protein	Protein-tyrosine phosphatase 1B	Homo sapiens	Inhibition	=	50.63	%	8350093
NPT178	Individual Protein	Protein-tyrosine phosphatase 1B	Homo sapiens	Inhibition	=	69.81	%	22533850
NPT178	Individual Protein	Protein-tyrosine phosphatase 1B	Homo sapiens	IC50	=	3260	nM	8759163

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 NPC135103 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	422
0.1-0.2	1754
0.2-0.3	5143
0.3-0.4	9101
0.4-0.5	2752
0.5-0.6	7597
0.6-0.7	4008
0.7-0.8	109
0.8-0.85	3
0.85-0.9	0
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Natural Product ID
0.8323	Intermediate Similarity	NPC473608
0.8302	Intermediate Similarity	NPC474535
0.825	Intermediate Similarity	NPC475697
0.7871	Intermediate Similarity	NPC250597
0.7799	Intermediate Similarity	NPC178097
0.7635	Intermediate Similarity	NPC30216
0.7603	Intermediate Similarity	NPC225245
0.7595	Intermediate Similarity	NPC184632
0.7568	Intermediate Similarity	NPC474691
0.7548	Intermediate Similarity	NPC95485
0.7548	Intermediate Similarity	NPC88065
0.7548	Intermediate Similarity	NPC199089
0.7548	Intermediate Similarity	NPC89504
0.7546	Intermediate Similarity	NPC470710
0.75	Intermediate Similarity	NPC105702
0.75	Intermediate Similarity	NPC177967
0.75	Intermediate Similarity	NPC471237
0.7468	Intermediate Similarity	NPC153453
0.7452	Intermediate Similarity	NPC271942
0.7452	Intermediate Similarity	NPC471236
0.7452	Intermediate Similarity	NPC197766
0.7451	Intermediate Similarity	NPC66905
0.7405	Intermediate Similarity	NPC470962
0.7403	Intermediate Similarity	NPC110800
0.7368	Intermediate Similarity	NPC13004
0.7358	Intermediate Similarity	NPC223336
0.7355	Intermediate Similarity	NPC474135
0.7255	Intermediate Similarity	NPC286683
0.7255	Intermediate Similarity	NPC32163
0.7255	Intermediate Similarity	NPC16651
0.7248	Intermediate Similarity	NPC295317
0.7237	Intermediate Similarity	NPC220311
0.7233	Intermediate Similarity	NPC168680
0.7222	Intermediate Similarity	NPC176030
0.7222	Intermediate Similarity	NPC86455
0.7222	Intermediate Similarity	NPC137920
0.7222	Intermediate Similarity	NPC229218
0.7222	Intermediate Similarity	NPC125134
0.7222	Intermediate Similarity	NPC169214
0.7222	Intermediate Similarity	NPC141817
0.7222	Intermediate Similarity	NPC192597
0.7219	Intermediate Similarity	NPC84606
0.7211	Intermediate Similarity	NPC469954
0.7205	Intermediate Similarity	NPC28398
0.7205	Intermediate Similarity	NPC89341
0.7197	Intermediate Similarity	NPC471328
0.719	Intermediate Similarity	NPC154275
0.7188	Intermediate Similarity	NPC160932
0.7188	Intermediate Similarity	NPC44573
0.7178	Intermediate Similarity	NPC50954
0.7178	Intermediate Similarity	NPC239608
0.7178	Intermediate Similarity	NPC270848
0.7178	Intermediate Similarity	NPC46880
0.7178	Intermediate Similarity	NPC122599
0.7178	Intermediate Similarity	NPC46161
0.7178	Intermediate Similarity	NPC272868
0.7171	Intermediate Similarity	NPC236265
0.7162	Intermediate Similarity	NPC71186
0.7161	Intermediate Similarity	NPC304622
0.716	Intermediate Similarity	NPC147137
0.7152	Intermediate Similarity	NPC219444
0.7152	Intermediate Similarity	NPC245386
0.7152	Intermediate Similarity	NPC116562
0.7143	Intermediate Similarity	NPC123722
0.7143	Intermediate Similarity	NPC151167
0.7143	Intermediate Similarity	NPC123228
0.7143	Intermediate Similarity	NPC5018
0.7143	Intermediate Similarity	NPC276466
0.7134	Intermediate Similarity	NPC207732
0.7134	Intermediate Similarity	NPC50763
0.7134	Intermediate Similarity	NPC303011
0.7134	Intermediate Similarity	NPC182842
0.7124	Intermediate Similarity	NPC473626
0.7124	Intermediate Similarity	NPC142776
0.7117	Intermediate Similarity	NPC185607
0.7117	Intermediate Similarity	NPC312256
0.7117	Intermediate Similarity	NPC28326
0.7097	Intermediate Similarity	NPC214553
0.7095	Intermediate Similarity	NPC185738
0.7091	Intermediate Similarity	NPC213482
0.7091	Intermediate Similarity	NPC30890
0.7078	Intermediate Similarity	NPC303680
0.7078	Intermediate Similarity	NPC177925
0.7078	Intermediate Similarity	NPC84076
0.7078	Intermediate Similarity	NPC90128
0.7078	Intermediate Similarity	NPC179777
0.7073	Intermediate Similarity	NPC109346
0.7073	Intermediate Similarity	NPC476054
0.7063	Intermediate Similarity	NPC77955
0.7055	Intermediate Similarity	NPC58229
0.7055	Intermediate Similarity	NPC110419
0.7048	Intermediate Similarity	NPC24257
0.7048	Intermediate Similarity	NPC153620
0.7048	Intermediate Similarity	NPC195919
0.7048	Intermediate Similarity	NPC216314
0.7048	Intermediate Similarity	NPC120924
0.7044	Intermediate Similarity	NPC144662
0.703	Intermediate Similarity	NPC472836
0.703	Intermediate Similarity	NPC142165
0.703	Intermediate Similarity	NPC275278
0.703	Intermediate Similarity	NPC327052
0.7027	Intermediate Similarity	NPC264379
0.7013	Intermediate Similarity	NPC257589
0.7013	Intermediate Similarity	NPC53305
0.7006	Intermediate Similarity	NPC299010
0.7006	Intermediate Similarity	NPC11449
0.7006	Intermediate Similarity	NPC470566
0.7006	Intermediate Similarity	NPC285776
0.7	Intermediate Similarity	NPC139519
0.7	Intermediate Similarity	NPC208760
0.7	Intermediate Similarity	NPC143649
0.7	Intermediate Similarity	NPC294870
0.6994	Remote Similarity	NPC326065
0.6988	Remote Similarity	NPC73416
0.6988	Remote Similarity	NPC157133
0.6988	Remote Similarity	NPC136278
0.6988	Remote Similarity	NPC160777
0.6988	Remote Similarity	NPC471590
0.6988	Remote Similarity	NPC224687
0.6987	Remote Similarity	NPC304747
0.6977	Remote Similarity	NPC305490
0.6975	Remote Similarity	NPC284409
0.6975	Remote Similarity	NPC81137
0.697	Remote Similarity	NPC473090
0.697	Remote Similarity	NPC119663
0.697	Remote Similarity	NPC254659
0.6968	Remote Similarity	NPC127937
0.6968	Remote Similarity	NPC92207
0.6966	Remote Similarity	NPC470567
0.6964	Remote Similarity	NPC152947
0.6964	Remote Similarity	NPC10304
0.6964	Remote Similarity	NPC474903
0.6964	Remote Similarity	NPC63256
0.6957	Remote Similarity	NPC324929
0.6946	Remote Similarity	NPC165389
0.6946	Remote Similarity	NPC231013
0.6946	Remote Similarity	NPC12377
0.6943	Remote Similarity	NPC85049
0.6933	Remote Similarity	NPC474784
0.6928	Remote Similarity	NPC113089
0.6928	Remote Similarity	NPC308006
0.6928	Remote Similarity	NPC105213
0.6928	Remote Similarity	NPC293201
0.6928	Remote Similarity	NPC229787
0.6923	Remote Similarity	NPC200060
0.6923	Remote Similarity	NPC139293
0.6923	Remote Similarity	NPC117237
0.6923	Remote Similarity	NPC195763
0.6923	Remote Similarity	NPC40290
0.6923	Remote Similarity	NPC69430
0.6923	Remote Similarity	NPC333691
0.6923	Remote Similarity	NPC203719
0.6923	Remote Similarity	NPC223807
0.6923	Remote Similarity	NPC264289
0.6923	Remote Similarity	NPC264550
0.6923	Remote Similarity	NPC142876
0.6918	Remote Similarity	NPC23332
0.6918	Remote Similarity	NPC111888
0.6913	Remote Similarity	NPC268317
0.6909	Remote Similarity	NPC29536
0.6908	Remote Similarity	NPC471877
0.6905	Remote Similarity	NPC58373
0.6905	Remote Similarity	NPC93034
0.6905	Remote Similarity	NPC119660
0.6905	Remote Similarity	NPC294972
0.6905	Remote Similarity	NPC474999
0.6905	Remote Similarity	NPC205522
0.6905	Remote Similarity	NPC470511
0.6899	Remote Similarity	NPC226493
0.6899	Remote Similarity	NPC160081
0.6899	Remote Similarity	NPC172673
0.6894	Remote Similarity	NPC204592
0.6892	Remote Similarity	NPC221301
0.6886	Remote Similarity	NPC9370
0.6886	Remote Similarity	NPC113862
0.6886	Remote Similarity	NPC165512
0.6886	Remote Similarity	NPC287495
0.6886	Remote Similarity	NPC296575
0.6883	Remote Similarity	NPC164778
0.6883	Remote Similarity	NPC257976
0.6883	Remote Similarity	NPC4181
0.6883	Remote Similarity	NPC242372
0.6882	Remote Similarity	NPC62354
0.6882	Remote Similarity	NPC239363
0.6882	Remote Similarity	NPC472279
0.6882	Remote Similarity	NPC156953
0.6879	Remote Similarity	NPC226661
0.6875	Remote Similarity	NPC159418
0.6875	Remote Similarity	NPC283823
0.6875	Remote Similarity	NPC327410
0.6875	Remote Similarity	NPC163560
0.6875	Remote Similarity	NPC288743
0.6871	Remote Similarity	NPC325625
0.6867	Remote Similarity	NPC287722
0.6867	Remote Similarity	NPC70853
0.6867	Remote Similarity	NPC9966
0.6867	Remote Similarity	NPC280001
0.6864	Remote Similarity	NPC139364
0.6864	Remote Similarity	NPC183236
0.6864	Remote Similarity	NPC476058

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC135103 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	431
0.1-0.2	1147
0.2-0.3	1971
0.3-0.4	3048
0.4-0.5	1649
0.5-0.6	797
0.6-0.7	116
0.7-0.8	2
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
0.7321	Intermediate Similarity	NPD2296	Approved
0.7095	Intermediate Similarity	NPD5536	Phase 2
0.6928	Remote Similarity	NPD3972	Approved
0.6923	Remote Similarity	NPD9494	Approved
0.6919	Remote Similarity	NPD4288	Approved
0.6905	Remote Similarity	NPD6980	Clinical (unspecified phase)
0.6805	Remote Similarity	NPD5586	Clinical (unspecified phase)
0.6774	Remote Similarity	NPD4379	Clinical (unspecified phase)
0.6731	Remote Similarity	NPD1876	Approved
0.6711	Remote Similarity	NPD5283	Phase 1
0.6684	Remote Similarity	NPD4287	Approved
0.6647	Remote Similarity	NPD6386	Approved
0.6647	Remote Similarity	NPD6385	Approved
0.6629	Remote Similarity	NPD5977	Approved
0.6629	Remote Similarity	NPD5978	Approved
0.6627	Remote Similarity	NPD6143	Clinical (unspecified phase)
0.6609	Remote Similarity	NPD1934	Approved
0.6591	Remote Similarity	NPD3882	Suspended
0.6576	Remote Similarity	NPD1298	Discontinued
0.6573	Remote Similarity	NPD5494	Approved
0.6571	Remote Similarity	NPD2801	Approved
0.6526	Remote Similarity	NPD3269	Clinical (unspecified phase)
0.649	Remote Similarity	NPD1241	Discontinued
0.6467	Remote Similarity	NPD2355	Clinical (unspecified phase)
0.6467	Remote Similarity	NPD2353	Approved
0.6464	Remote Similarity	NPD3926	Phase 2
0.6463	Remote Similarity	NPD1933	Approved
0.6457	Remote Similarity	NPD6873	Phase 2
0.6452	Remote Similarity	NPD1651	Approved
0.645	Remote Similarity	NPD4628	Phase 3
0.6441	Remote Similarity	NPD3817	Phase 2
0.6412	Remote Similarity	NPD3887	Approved
0.6407	Remote Similarity	NPD2935	Discontinued
0.6407	Remote Similarity	NPD2796	Approved
0.6404	Remote Similarity	NPD4868	Clinical (unspecified phase)
0.6402	Remote Similarity	NPD1240	Approved
0.6384	Remote Similarity	NPD2393	Clinical (unspecified phase)
0.6374	Remote Similarity	NPD5242	Approved
0.6369	Remote Similarity	NPD2344	Approved
0.6364	Remote Similarity	NPD447	Suspended
0.6354	Remote Similarity	NPD1247	Approved
0.6347	Remote Similarity	NPD1510	Phase 2
0.6347	Remote Similarity	NPD2799	Discontinued
0.6337	Remote Similarity	NPD1511	Approved
0.6335	Remote Similarity	NPD2798	Approved
0.6333	Remote Similarity	NPD919	Approved
0.6329	Remote Similarity	NPD1281	Approved
0.6329	Remote Similarity	NPD1547	Clinical (unspecified phase)
0.6325	Remote Similarity	NPD1607	Approved
0.6319	Remote Similarity	NPD6232	Discontinued
0.6319	Remote Similarity	NPD4010	Discontinued
0.6316	Remote Similarity	NPD2354	Approved
0.6306	Remote Similarity	NPD17	Approved
0.6304	Remote Similarity	NPD7473	Discontinued
0.6303	Remote Similarity	NPD943	Approved
0.6294	Remote Similarity	NPD7421	Clinical (unspecified phase)
0.6292	Remote Similarity	NPD1465	Phase 2
0.6272	Remote Similarity	NPD1471	Phase 3
0.627	Remote Similarity	NPD3818	Discontinued
0.6265	Remote Similarity	NPD230	Phase 1
0.6264	Remote Similarity	NPD1512	Approved
0.6257	Remote Similarity	NPD5353	Approved
0.625	Remote Similarity	NPD6166	Phase 2
0.625	Remote Similarity	NPD6167	Clinical (unspecified phase)
0.625	Remote Similarity	NPD6168	Clinical (unspecified phase)
0.625	Remote Similarity	NPD7458	Discontinued
0.6243	Remote Similarity	NPD6799	Approved
0.6229	Remote Similarity	NPD6662	Clinical (unspecified phase)
0.6221	Remote Similarity	NPD2309	Approved
0.6215	Remote Similarity	NPD6876	Approved
0.6215	Remote Similarity	NPD6875	Approved
0.6211	Remote Similarity	NPD1283	Approved
0.6205	Remote Similarity	NPD3140	Approved
0.6205	Remote Similarity	NPD3142	Approved
0.6196	Remote Similarity	NPD6688	Approved
0.6196	Remote Similarity	NPD6687	Approved
0.6188	Remote Similarity	NPD1608	Approved
0.6182	Remote Similarity	NPD2313	Discontinued
0.6176	Remote Similarity	NPD2346	Discontinued
0.6168	Remote Similarity	NPD1899	Clinical (unspecified phase)
0.6163	Remote Similarity	NPD4109	Clinical (unspecified phase)
0.6163	Remote Similarity	NPD4110	Phase 3
0.6159	Remote Similarity	NPD6832	Phase 2
0.6154	Remote Similarity	NPD3748	Approved
0.615	Remote Similarity	NPD5844	Phase 1
0.6144	Remote Similarity	NPD228	Approved
0.614	Remote Similarity	NPD1549	Phase 2
0.6124	Remote Similarity	NPD7028	Phase 2
0.6124	Remote Similarity	NPD4380	Phase 2
0.6124	Remote Similarity	NPD6599	Discontinued
0.6118	Remote Similarity	NPD2438	Suspended
0.6117	Remote Similarity	NPD7074	Phase 3
0.6114	Remote Similarity	NPD4378	Clinical (unspecified phase)
0.6111	Remote Similarity	NPD7096	Clinical (unspecified phase)
0.6111	Remote Similarity	NPD7819	Suspended
0.6108	Remote Similarity	NPD4307	Phase 2
0.6108	Remote Similarity	NPD2979	Phase 3
0.6089	Remote Similarity	NPD7110	Phase 1
0.6089	Remote Similarity	NPD7109	Clinical (unspecified phase)
0.6085	Remote Similarity	NPD7993	Clinical (unspecified phase)
0.6082	Remote Similarity	NPD1552	Clinical (unspecified phase)
0.6082	Remote Similarity	NPD1550	Clinical (unspecified phase)
0.6074	Remote Similarity	NPD3266	Approved
0.6074	Remote Similarity	NPD3267	Approved
0.6067	Remote Similarity	NPD824	Approved
0.6064	Remote Similarity	NPD7054	Approved
0.6056	Remote Similarity	NPD6801	Discontinued
0.6047	Remote Similarity	NPD970	Clinical (unspecified phase)
0.6045	Remote Similarity	NPD920	Approved
0.6034	Remote Similarity	NPD1337	Clinical (unspecified phase)
0.6032	Remote Similarity	NPD7472	Approved
0.6024	Remote Similarity	NPD3027	Phase 3
0.6023	Remote Similarity	NPD3688	Clinical (unspecified phase)
0.6023	Remote Similarity	NPD3146	Approved
0.6022	Remote Similarity	NPD1006	Clinical (unspecified phase)
0.6012	Remote Similarity	NPD1243	Approved
0.6011	Remote Similarity	NPD7075	Discontinued
0.6	Remote Similarity	NPD2821	Approved
0.5989	Remote Similarity	NPD6273	Approved
0.5988	Remote Similarity	NPD5111	Phase 2
0.5988	Remote Similarity	NPD5109	Approved
0.5988	Remote Similarity	NPD2981	Phase 2
0.5988	Remote Similarity	NPD5110	Phase 2
0.5988	Remote Similarity	NPD2343	Clinical (unspecified phase)
0.5988	Remote Similarity	NPD6798	Discontinued
0.5988	Remote Similarity	NPD3764	Approved
0.5987	Remote Similarity	NPD1358	Approved
0.5978	Remote Similarity	NPD3226	Approved
0.5978	Remote Similarity	NPD3455	Phase 2
0.5977	Remote Similarity	NPD3750	Approved
0.5977	Remote Similarity	NPD7003	Approved
0.5976	Remote Similarity	NPD6355	Discontinued
0.5975	Remote Similarity	NPD9545	Approved
0.5969	Remote Similarity	NPD7685	Pre-registration
0.5967	Remote Similarity	NPD6280	Approved
0.5967	Remote Similarity	NPD37	Approved
0.5967	Remote Similarity	NPD6279	Approved
0.5966	Remote Similarity	NPD4357	Discontinued
0.5965	Remote Similarity	NPD4308	Phase 3
0.5963	Remote Similarity	NPD3847	Discontinued
0.5951	Remote Similarity	NPD2982	Phase 2
0.5951	Remote Similarity	NPD2983	Phase 2
0.5943	Remote Similarity	NPD6190	Approved
0.5938	Remote Similarity	NPD9268	Approved
0.5938	Remote Similarity	NPD4338	Clinical (unspecified phase)
0.5938	Remote Similarity	NPD7808	Phase 3
0.5935	Remote Similarity	NPD1609	Clinical (unspecified phase)
0.5932	Remote Similarity	NPD7410	Clinical (unspecified phase)
0.593	Remote Similarity	NPD2531	Phase 2
0.5928	Remote Similarity	NPD8055	Clinical (unspecified phase)
0.5928	Remote Similarity	NPD7095	Approved
0.5926	Remote Similarity	NPD3705	Approved
0.5924	Remote Similarity	NPD4381	Clinical (unspecified phase)
0.592	Remote Similarity	NPD8095	Phase 1
0.5918	Remote Similarity	NPD8397	Clinical (unspecified phase)
0.5916	Remote Similarity	NPD6797	Phase 2
0.5912	Remote Similarity	NPD7411	Suspended
0.5904	Remote Similarity	NPD3018	Phase 2
0.5899	Remote Similarity	NPD5049	Phase 3
0.5897	Remote Similarity	NPD5535	Approved
0.5894	Remote Similarity	NPD9244	Approved
0.5893	Remote Similarity	NPD6859	Clinical (unspecified phase)
0.5893	Remote Similarity	NPD3268	Approved
0.589	Remote Similarity	NPD9269	Phase 2
0.5889	Remote Similarity	NPD2651	Approved
0.5889	Remote Similarity	NPD2649	Approved
0.5886	Remote Similarity	NPD8166	Discontinued
0.5885	Remote Similarity	NPD7251	Discontinued
0.5879	Remote Similarity	NPD1203	Approved
0.5875	Remote Similarity	NPD1894	Discontinued
0.5872	Remote Similarity	NPD1509	Clinical (unspecified phase)
0.587	Remote Similarity	NPD4966	Approved
0.587	Remote Similarity	NPD4965	Approved
0.587	Remote Similarity	NPD4967	Phase 2
0.5868	Remote Similarity	NPD5752	Clinical (unspecified phase)
0.5866	Remote Similarity	NPD3639	Approved
0.5866	Remote Similarity	NPD3641	Approved
0.5866	Remote Similarity	NPD3640	Phase 3
0.5858	Remote Similarity	NPD8032	Phase 2
0.5858	Remote Similarity	NPD4870	Approved
0.5858	Remote Similarity	NPD6233	Phase 2
0.5858	Remote Similarity	NPD4062	Phase 3
0.5843	Remote Similarity	NPD642	Clinical (unspecified phase)
0.5843	Remote Similarity	NPD4662	Approved
0.5843	Remote Similarity	NPD4661	Approved
0.5842	Remote Similarity	NPD2163	Approved
0.5839	Remote Similarity	NPD5691	Approved
0.5839	Remote Similarity	NPD5585	Approved
0.5829	Remote Similarity	NPD2654	Approved
0.5829	Remote Similarity	NPD6959	Discontinued
0.5829	Remote Similarity	NPD7199	Phase 2
0.5829	Remote Similarity	NPD8127	Discontinued
0.5829	Remote Similarity	NPD2800	Approved
0.5819	Remote Similarity	NPD643	Clinical (unspecified phase)
0.5818	Remote Similarity	NPD2922	Phase 1
0.5817	Remote Similarity	NPD3134	Approved
0.5815	Remote Similarity	NPD8443	Clinical (unspecified phase)
0.5815	Remote Similarity	NPD5402	Approved
0.5814	Remote Similarity	NPD6896	Approved
0.5814	Remote Similarity	NPD6895	Approved

Structure

NPC135103 OpenBabel07101718202D 27 28 0 0 0 0 0 0 0 0999 V2000 3.4641 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9282 0.0000 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 -0.0000 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 3.4641 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 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 0.8660 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 0.0000 1.0000 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 5.1962 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 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 2.5000 0.0000 Br 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 6.0622 1.5000 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 2.5981 2.5000 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 6.0622 -0.5000 0.0000 O 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 -0.8660 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 24 1 0 0 0 0 2 25 1 0 0 0 0 3 26 1 0 0 0 0 4 27 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 6 9 1 0 0 0 0 6 14 1 0 0 0 0 7 15 2 0 0 0 0 7 24 1 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 8 14 1 0 0 0 0 9 12 2 0 0 0 0 9 18 1 0 0 0 0 10 13 1 0 0 0 0 10 19 1 0 0 0 0 11 16 2 0 0 0 0 11 20 1 0 0 0 0 12 15 1 0 0 0 0 12 21 1 0 0 0 0 13 17 2 0 0 0 0 13 22 1 0 0 0 0 14 23 2 0 0 0 0 15 25 1 0 0 0 0 16 17 1 0 0 0 0 16 26 1 0 0 0 0 17 27 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	50908843
ChEMBL	CHEMBL1290156
ZINC

Physicochemical Properties

Molecular Weight:	691.67
ALogP:	3.973
MLogP:	2.23
XLogP:	4.805
# Rotatable Bonds:	15
Polar Surface Area:	53.99
# H-Bond Aceptor:	1
# H-Bond Donor:	0
# Rings:	2
# Heavy Atoms:	27

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