NPASS Natural Product

Natural Product: NPC38996

Natural Product ID:	NPC38996
Common Name:	Endiandrin B
IUPAC Name:	4-[(1R,2S,3R,4S)-2-(4-hydroxy-3-methoxyphenyl)-3,4-dimethylcyclobutyl]-2-methoxyphenol
Synonyms:	Endiandrin B
Molecular Formula:	C20H24O4
Standard InCHIKey:	QDBUCXMBHJMGCN-JARDSOJUSA-N
Standard InCHI:	InChI=1S/C20H24O4/c1-11-12(2)20(14-6-8-16(22)18(10-14)24-4)19(11)13-5-7-15(21)17(9-13)23-3/h5-12,19-22H,1-4H3/t11-,12+,19-,20+
Canonical SMILES:	COc1cc(ccc1O)[C@@H]1[C@@H](C)[C@H]([C@@H]1c1ccc(c(c1)OC)O)C
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
NPO18777	Endiandra anthropophagorum	Species	Lauraceae	Eukaryota		Australian rainforest		PMID[19138858]

Biological Activity

Activity Type	# Activity
Ki	6
Others	9

Activity Type	# Activity
Cell Line	1
Individual Protein	6
Others	8

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT2	Others	Unspecified		Ratio Ki	=	15.1		17461599
NPT3157	Individual Protein	Carbonic anhydrase 2	Cryptococcus neoformans var. grubii	Ki	=	950	nM	17524651
NPT1148	Individual Protein	Carbonic anhydrase	Candida albicans (strain SC5314 / ATCC MYA-2876) (Yeast)	Ki	=	700	nM	20146479
NPT947	Individual Protein	Carbonic anhydrase I	Homo sapiens	Ki	=	354000	nM	21721525
NPT2	Others	Unspecified		Ratio Ki	=	505.7		PubChem BioAssay data set
NPT3156	Individual Protein	Uncharacterized protein Rv1284/MT1322	Mycobacterium tuberculosis	Ki	=	800	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Ratio Ki	=	17.3		11975486
NPT2	Others	Unspecified		Ratio Ki	=	13.6		26970663
NPT2	Others	Unspecified		Ratio Ki	=	372.6		10075754
NPT2	Others	Unspecified		Ratio Ki	=	12.7		19331379
NPT233	Individual Protein	Carbonic anhydrase II	Homo sapiens	Ki	=	12100	nM	9677265
NPT2	Others	Unspecified		Ratio Ki	=	442.5		12027740
NPT3155	Individual Protein	PROBABLE TRANSMEMBRANE CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE)	Mycobacterium tuberculosis	Ki	=	890	nM	21215647
NPT81	Cell Line	A549	Homo sapiens	Inhibition	=	75	%	20923180
NPT2	Others	Unspecified		Ratio Ki	=	397.8		18180352

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 NPC38996 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	226
0.1-0.2	1148
0.2-0.3	2359
0.3-0.4	8353
0.4-0.5	5143
0.5-0.6	3165
0.6-0.7	6568
0.7-0.8	2995
0.8-0.85	568
0.85-0.9	280
0.9-0.95	71
0.95-1	13

Similarity Score	Similarity Level	Natural Product ID
1.0	High Similarity	NPC160380
0.9825	High Similarity	NPC95614
0.9825	High Similarity	NPC56214
0.9825	High Similarity	NPC117780
0.9825	High Similarity	NPC232316
0.9825	High Similarity	NPC227217
0.9825	High Similarity	NPC242885
0.9825	High Similarity	NPC165133
0.9737	High Similarity	NPC310338
0.9737	High Similarity	NPC281298
0.9649	High Similarity	NPC470626
0.9573	High Similarity	NPC85488
0.9561	High Similarity	NPC293619
0.9492	High Similarity	NPC280704
0.9492	High Similarity	NPC31344
0.9492	High Similarity	NPC317769
0.9402	High Similarity	NPC207613
0.9386	High Similarity	NPC475815
0.9386	High Similarity	NPC473264
0.9333	High Similarity	NPC228771
0.9333	High Similarity	NPC29008
0.9333	High Similarity	NPC148627
0.9333	High Similarity	NPC9067
0.9333	High Similarity	NPC266705
0.9322	High Similarity	NPC343720
0.9322	High Similarity	NPC113865
0.9322	High Similarity	NPC184651
0.9322	High Similarity	NPC470212
0.9322	High Similarity	NPC473853
0.9322	High Similarity	NPC54872
0.9322	High Similarity	NPC312675
0.9322	High Similarity	NPC324571
0.9322	High Similarity	NPC262156
0.931	High Similarity	NPC474040
0.9256	High Similarity	NPC274356
0.9211	High Similarity	NPC165106
0.918	High Similarity	NPC118533
0.918	High Similarity	NPC165045
0.918	High Similarity	NPC127587
0.918	High Similarity	NPC5428
0.9167	High Similarity	NPC471693
0.9106	High Similarity	NPC21867
0.9106	High Similarity	NPC45774
0.9106	High Similarity	NPC277458
0.9106	High Similarity	NPC128208
0.9106	High Similarity	NPC11258
0.9106	High Similarity	NPC129570
0.9106	High Similarity	NPC307050
0.9106	High Similarity	NPC282703
0.9106	High Similarity	NPC184733
0.9098	High Similarity	NPC76451
0.9083	High Similarity	NPC30462
0.9068	High Similarity	NPC24474
0.9068	High Similarity	NPC311595
0.906	High Similarity	NPC164386
0.906	High Similarity	NPC86947
0.9052	High Similarity	NPC47194
0.9035	High Similarity	NPC173746
0.9035	High Similarity	NPC8547
0.9035	High Similarity	NPC257124
0.9035	High Similarity	NPC156840
0.9032	High Similarity	NPC475875
0.9024	High Similarity	NPC106511
0.9024	High Similarity	NPC21563
0.9016	High Similarity	NPC251855
0.9016	High Similarity	NPC117214
0.9016	High Similarity	NPC233410
0.9016	High Similarity	NPC193544
0.9016	High Similarity	NPC475169
0.9016	High Similarity	NPC17943
0.9016	High Similarity	NPC472093
0.9016	High Similarity	NPC53305
0.9016	High Similarity	NPC57490
0.9016	High Similarity	NPC208950
0.9016	High Similarity	NPC116907
0.9016	High Similarity	NPC203133
0.9016	High Similarity	NPC221077
0.9016	High Similarity	NPC257589
0.9016	High Similarity	NPC298757
0.9008	High Similarity	NPC228922
0.9008	High Similarity	NPC197757
0.9008	High Similarity	NPC249788
0.9	High Similarity	NPC290451
0.9	High Similarity	NPC127389
0.8983	High Similarity	NPC474214
0.8974	High Similarity	NPC81067
0.8974	High Similarity	NPC9341
0.896	High Similarity	NPC242807
0.896	High Similarity	NPC257582
0.896	High Similarity	NPC42300
0.896	High Similarity	NPC181079
0.896	High Similarity	NPC275950
0.896	High Similarity	NPC241522
0.896	High Similarity	NPC64201
0.896	High Similarity	NPC153739
0.896	High Similarity	NPC77040
0.896	High Similarity	NPC174495
0.896	High Similarity	NPC173308
0.896	High Similarity	NPC187998
0.896	High Similarity	NPC92164
0.896	High Similarity	NPC145305
0.8943	High Similarity	NPC92207
0.8943	High Similarity	NPC127937
0.8943	High Similarity	NPC304630
0.8943	High Similarity	NPC17837
0.8926	High Similarity	NPC41562
0.8917	High Similarity	NPC109083
0.8917	High Similarity	NPC189844
0.8917	High Similarity	NPC14007
0.8917	High Similarity	NPC269843
0.8917	High Similarity	NPC60962
0.8917	High Similarity	NPC224814
0.8908	High Similarity	NPC474320
0.8889	High Similarity	NPC232275
0.8889	High Similarity	NPC228346
0.8889	High Similarity	NPC115207
0.8889	High Similarity	NPC158079
0.8889	High Similarity	NPC277804
0.8889	High Similarity	NPC40432
0.8889	High Similarity	NPC476345
0.8889	High Similarity	NPC7171
0.8889	High Similarity	NPC474017
0.8889	High Similarity	NPC27843
0.8889	High Similarity	NPC161557
0.8871	High Similarity	NPC293054
0.8871	High Similarity	NPC236791
0.8871	High Similarity	NPC169474
0.8871	High Similarity	NPC82679
0.8871	High Similarity	NPC282000
0.8871	High Similarity	NPC324112
0.8871	High Similarity	NPC74817
0.8871	High Similarity	NPC246620
0.8871	High Similarity	NPC124452
0.8871	High Similarity	NPC159968
0.8862	High Similarity	NPC194519
0.886	High Similarity	NPC254833
0.886	High Similarity	NPC228343
0.886	High Similarity	NPC36108
0.886	High Similarity	NPC246358
0.886	High Similarity	NPC233731
0.886	High Similarity	NPC7097
0.8852	High Similarity	NPC282496
0.8852	High Similarity	NPC233526
0.8852	High Similarity	NPC136319
0.8843	High Similarity	NPC476343
0.8819	High Similarity	NPC207400
0.8819	High Similarity	NPC106739
0.8819	High Similarity	NPC471505
0.8819	High Similarity	NPC227002
0.8819	High Similarity	NPC6451
0.8819	High Similarity	NPC181049
0.881	High Similarity	NPC126836
0.881	High Similarity	NPC143483
0.88	High Similarity	NPC154866
0.88	High Similarity	NPC206615
0.88	High Similarity	NPC474178
0.88	High Similarity	NPC245826
0.88	High Similarity	NPC226661
0.88	High Similarity	NPC186843
0.88	High Similarity	NPC472968
0.88	High Similarity	NPC470213
0.88	High Similarity	NPC98631
0.88	High Similarity	NPC252307
0.88	High Similarity	NPC470084
0.879	High Similarity	NPC191037
0.879	High Similarity	NPC120225
0.879	High Similarity	NPC90128
0.879	High Similarity	NPC214406
0.879	High Similarity	NPC78974
0.879	High Similarity	NPC18924
0.879	High Similarity	NPC28730
0.879	High Similarity	NPC103823
0.879	High Similarity	NPC58607
0.879	High Similarity	NPC213552
0.879	High Similarity	NPC44748
0.879	High Similarity	NPC303680
0.879	High Similarity	NPC223136
0.879	High Similarity	NPC178284
0.879	High Similarity	NPC84076
0.878	High Similarity	NPC5796
0.878	High Similarity	NPC114901
0.878	High Similarity	NPC293701
0.878	High Similarity	NPC206487
0.878	High Similarity	NPC48990
0.8772	High Similarity	NPC75440
0.8772	High Similarity	NPC201959
0.877	High Similarity	NPC262253
0.877	High Similarity	NPC473411
0.877	High Similarity	NPC71579
0.875	High Similarity	NPC169973
0.875	High Similarity	NPC158331
0.874	High Similarity	NPC12275
0.874	High Similarity	NPC474356
0.874	High Similarity	NPC45715
0.873	High Similarity	NPC304622
0.873	High Similarity	NPC476968
0.873	High Similarity	NPC170844
0.873	High Similarity	NPC212015
0.872	High Similarity	NPC252131
0.872	High Similarity	NPC111247

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC38996 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	239
0.1-0.2	939
0.2-0.3	1274
0.3-0.4	2616
0.4-0.5	2028
0.5-0.6	1083
0.6-0.7	779
0.7-0.8	189
0.8-0.85	8
0.85-0.9	4
0.9-0.95	2
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.9211	High Similarity	NPD5283	Phase 1
0.9035	High Similarity	NPD228	Approved
0.886	High Similarity	NPD3022	Approved
0.886	High Similarity	NPD3021	Approved
0.873	High Similarity	NPD3027	Phase 3
0.8699	High Similarity	NPD4379	Clinical (unspecified phase)
0.8385	Intermediate Similarity	NPD3620	Phase 2
0.8385	Intermediate Similarity	NPD3619	Clinical (unspecified phase)
0.8254	Intermediate Similarity	NPD3600	Clinical (unspecified phase)
0.813	Intermediate Similarity	NPD5536	Phase 2
0.8106	Intermediate Similarity	NPD4060	Phase 1
0.8077	Intermediate Similarity	NPD1529	Clinical (unspecified phase)
0.807	Intermediate Similarity	NPD3020	Approved
0.8	Intermediate Similarity	NPD1530	Clinical (unspecified phase)
0.7983	Intermediate Similarity	NPD2684	Approved
0.797	Intermediate Similarity	NPD1613	Approved
0.797	Intermediate Similarity	NPD1612	Clinical (unspecified phase)
0.7967	Intermediate Similarity	NPD7157	Approved
0.7955	Intermediate Similarity	NPD5109	Approved
0.7955	Intermediate Similarity	NPD5111	Phase 2
0.7955	Intermediate Similarity	NPD5110	Phase 2
0.7895	Intermediate Similarity	NPD2674	Phase 3
0.7869	Intermediate Similarity	NPD7843	Approved
0.7857	Intermediate Similarity	NPD1357	Approved
0.7836	Intermediate Similarity	NPD1558	Phase 1
0.7829	Intermediate Similarity	NPD2982	Phase 2
0.7829	Intermediate Similarity	NPD2983	Phase 2
0.782	Intermediate Similarity	NPD3144	Approved
0.782	Intermediate Similarity	NPD3145	Approved
0.7807	Intermediate Similarity	NPD2859	Approved
0.7807	Intermediate Similarity	NPD2860	Approved
0.7752	Intermediate Similarity	NPD2981	Phase 2
0.7744	Intermediate Similarity	NPD7095	Approved
0.7727	Intermediate Similarity	NPD2861	Phase 2
0.7727	Intermediate Similarity	NPD3018	Phase 2
0.7719	Intermediate Similarity	NPD2933	Approved
0.7719	Intermediate Similarity	NPD9296	Approved
0.7719	Intermediate Similarity	NPD2934	Approved
0.768	Intermediate Similarity	NPD6671	Approved
0.7674	Intermediate Similarity	NPD3705	Approved
0.7669	Intermediate Similarity	NPD4908	Phase 1
0.7664	Intermediate Similarity	NPD6896	Approved
0.7664	Intermediate Similarity	NPD6895	Approved
0.7656	Intermediate Similarity	NPD2668	Approved
0.7656	Intermediate Similarity	NPD2667	Approved
0.7652	Intermediate Similarity	NPD6584	Phase 3
0.7643	Intermediate Similarity	NPD3060	Approved
0.7623	Intermediate Similarity	NPD5451	Approved
0.7615	Intermediate Similarity	NPD2232	Approved
0.7615	Intermediate Similarity	NPD2233	Approved
0.7615	Intermediate Similarity	NPD2230	Approved
0.7594	Intermediate Similarity	NPD9494	Approved
0.7589	Intermediate Similarity	NPD4110	Phase 3
0.7589	Intermediate Similarity	NPD4109	Clinical (unspecified phase)
0.7589	Intermediate Similarity	NPD6331	Phase 2
0.7556	Intermediate Similarity	NPD4907	Clinical (unspecified phase)
0.7538	Intermediate Similarity	NPD1610	Phase 2
0.7537	Intermediate Similarity	NPD5752	Clinical (unspecified phase)
0.7521	Intermediate Similarity	NPD968	Approved
0.7519	Intermediate Similarity	NPD5846	Approved
0.7519	Intermediate Similarity	NPD6516	Phase 2
0.7519	Intermediate Similarity	NPD4624	Approved
0.7519	Intermediate Similarity	NPD4626	Approved
0.7518	Intermediate Similarity	NPD3657	Discovery
0.7518	Intermediate Similarity	NPD6355	Discontinued
0.75	Intermediate Similarity	NPD1283	Approved
0.75	Intermediate Similarity	NPD2922	Phase 1
0.7482	Intermediate Similarity	NPD6029	Clinical (unspecified phase)
0.7482	Intermediate Similarity	NPD6028	Clinical (unspecified phase)
0.7462	Intermediate Similarity	NPD3847	Discontinued
0.7442	Intermediate Similarity	NPD1651	Approved
0.744	Intermediate Similarity	NPD5535	Approved
0.7431	Intermediate Similarity	NPD6143	Clinical (unspecified phase)
0.7429	Intermediate Similarity	NPD2161	Phase 2
0.7426	Intermediate Similarity	NPD5718	Phase 2
0.7424	Intermediate Similarity	NPD1669	Approved
0.7424	Intermediate Similarity	NPD6582	Phase 2
0.7424	Intermediate Similarity	NPD6583	Phase 3
0.7414	Intermediate Similarity	NPD1432	Clinical (unspecified phase)
0.7413	Intermediate Similarity	NPD5241	Discontinued
0.7394	Intermediate Similarity	NPD5177	Phase 3
0.7394	Intermediate Similarity	NPD4162	Approved
0.7391	Intermediate Similarity	NPD5735	Approved
0.7388	Intermediate Similarity	NPD6917	Clinical (unspecified phase)
0.7324	Intermediate Similarity	NPD4664	Clinical (unspecified phase)
0.7319	Intermediate Similarity	NPD5837	Clinical (unspecified phase)
0.7317	Intermediate Similarity	NPD290	Approved
0.7299	Intermediate Similarity	NPD6798	Discontinued
0.7293	Intermediate Similarity	NPD4749	Approved
0.7293	Intermediate Similarity	NPD5327	Phase 3
0.7288	Intermediate Similarity	NPD288	Approved
0.7273	Intermediate Similarity	NPD6674	Discontinued
0.7273	Intermediate Similarity	NPD1281	Approved
0.7273	Intermediate Similarity	NPD3092	Approved
0.7273	Intermediate Similarity	NPD4237	Approved
0.7273	Intermediate Similarity	NPD4236	Phase 3
0.7267	Intermediate Similarity	NPD1934	Approved
0.7266	Intermediate Similarity	NPD709	Approved
0.726	Intermediate Similarity	NPD1754	Clinical (unspecified phase)
0.7255	Intermediate Similarity	NPD6234	Discontinued
0.7254	Intermediate Similarity	NPD2029	Clinical (unspecified phase)
0.7254	Intermediate Similarity	NPD7266	Discontinued
0.7246	Intermediate Similarity	NPD1726	Clinical (unspecified phase)
0.7241	Intermediate Similarity	NPD7124	Phase 2
0.7239	Intermediate Similarity	NPD8651	Approved
0.7231	Intermediate Similarity	NPD3091	Approved
0.7231	Intermediate Similarity	NPD1548	Phase 1
0.7226	Intermediate Similarity	NPD4625	Phase 3
0.7222	Intermediate Similarity	NPD8166	Discontinued
0.7222	Intermediate Similarity	NPD6658	Clinical (unspecified phase)
0.7219	Intermediate Similarity	NPD2978	Approved
0.7219	Intermediate Similarity	NPD2801	Approved
0.7219	Intermediate Similarity	NPD2977	Approved
0.7218	Intermediate Similarity	NPD1608	Approved
0.7218	Intermediate Similarity	NPD2235	Phase 2
0.7218	Intermediate Similarity	NPD2231	Phase 2
0.7214	Intermediate Similarity	NPD4097	Suspended
0.7211	Intermediate Similarity	NPD5261	Clinical (unspecified phase)
0.7203	Intermediate Similarity	NPD2808	Discontinued
0.7203	Intermediate Similarity	NPD844	Approved
0.7194	Intermediate Similarity	NPD4140	Approved
0.7194	Intermediate Similarity	NPD2238	Phase 2
0.719	Intermediate Similarity	NPD291	Approved
0.7185	Intermediate Similarity	NPD3094	Phase 2
0.7185	Intermediate Similarity	NPD3055	Approved
0.7185	Intermediate Similarity	NPD3053	Approved
0.7183	Intermediate Similarity	NPD2935	Discontinued
0.7177	Intermediate Similarity	NPD1358	Approved
0.7176	Intermediate Similarity	NPD5585	Approved
0.7176	Intermediate Similarity	NPD5691	Approved
0.7174	Intermediate Similarity	NPD2028	Clinical (unspecified phase)
0.7172	Intermediate Similarity	NPD5307	Clinical (unspecified phase)
0.7165	Intermediate Similarity	NPD9377	Approved
0.7165	Intermediate Similarity	NPD7635	Approved
0.7165	Intermediate Similarity	NPD821	Approved
0.7165	Intermediate Similarity	NPD9379	Approved
0.7163	Intermediate Similarity	NPD4537	Clinical (unspecified phase)
0.7163	Intermediate Similarity	NPD4538	Approved
0.7163	Intermediate Similarity	NPD4536	Approved
0.7153	Intermediate Similarity	NPD5698	Clinical (unspecified phase)
0.7152	Intermediate Similarity	NPD37	Approved
0.7143	Intermediate Similarity	NPD4123	Phase 3
0.7133	Intermediate Similarity	NPD1375	Discontinued
0.7133	Intermediate Similarity	NPD5762	Approved
0.7133	Intermediate Similarity	NPD5763	Approved
0.7133	Intermediate Similarity	NPD3540	Phase 1
0.7133	Intermediate Similarity	NPD7028	Phase 2
0.7132	Intermediate Similarity	NPD6387	Discontinued
0.7124	Intermediate Similarity	NPD3882	Suspended
0.7122	Intermediate Similarity	NPD6233	Phase 2
0.7122	Intermediate Similarity	NPD4062	Phase 3
0.7113	Intermediate Similarity	NPD4108	Discontinued
0.7111	Intermediate Similarity	NPD5311	Approved
0.7111	Intermediate Similarity	NPD5310	Approved
0.7109	Intermediate Similarity	NPD2234	Approved
0.7109	Intermediate Similarity	NPD2228	Approved
0.7109	Intermediate Similarity	NPD2229	Approved
0.7107	Intermediate Similarity	NPD1242	Phase 1
0.7107	Intermediate Similarity	NPD289	Clinical (unspecified phase)
0.7105	Intermediate Similarity	NPD2393	Clinical (unspecified phase)
0.7103	Intermediate Similarity	NPD4628	Phase 3
0.7101	Intermediate Similarity	NPD2669	Clinical (unspecified phase)
0.7097	Intermediate Similarity	NPD3134	Approved
0.7095	Intermediate Similarity	NPD7527	Clinical (unspecified phase)
0.7095	Intermediate Similarity	NPD52	Approved
0.7095	Intermediate Similarity	NPD7526	Approved
0.7092	Intermediate Similarity	NPD6353	Approved
0.7092	Intermediate Similarity	NPD6653	Approved
0.7092	Intermediate Similarity	NPD4579	Clinical (unspecified phase)
0.7083	Intermediate Similarity	NPD7037	Approved
0.7078	Intermediate Similarity	NPD7833	Phase 2
0.7078	Intermediate Similarity	NPD7832	Clinical (unspecified phase)
0.7078	Intermediate Similarity	NPD7831	Phase 2
0.7077	Intermediate Similarity	NPD3596	Phase 2
0.7075	Intermediate Similarity	NPD7041	Phase 2
0.7075	Intermediate Similarity	NPD4357	Discontinued
0.7075	Intermediate Similarity	NPD7040	Clinical (unspecified phase)
0.7071	Intermediate Similarity	NPD2979	Phase 3
0.7068	Intermediate Similarity	NPD3496	Discontinued
0.7067	Intermediate Similarity	NPD4005	Discontinued
0.7063	Intermediate Similarity	NPD4750	Phase 3
0.7063	Intermediate Similarity	NPD1792	Phase 2
0.7063	Intermediate Similarity	NPD2438	Suspended
0.7063	Intermediate Similarity	NPD3539	Phase 1
0.7059	Intermediate Similarity	NPD2797	Approved
0.7059	Intermediate Similarity	NPD987	Approved
0.7055	Intermediate Similarity	NPD5084	Clinical (unspecified phase)
0.705	Intermediate Similarity	NPD6410	Clinical (unspecified phase)
0.7045	Intermediate Similarity	NPD4093	Discontinued
0.7042	Intermediate Similarity	NPD6111	Discontinued
0.7037	Intermediate Similarity	NPD3685	Discontinued
0.7037	Intermediate Similarity	NPD3676	Clinical (unspecified phase)
0.7034	Intermediate Similarity	NPD845	Approved
0.7031	Intermediate Similarity	NPD1138	Approved
0.7027	Intermediate Similarity	NPD4584	Approved
0.702	Intermediate Similarity	NPD6875	Approved
0.702	Intermediate Similarity	NPD6876	Approved
0.7015	Intermediate Similarity	NPD1535	Discovery
0.7013	Intermediate Similarity	NPD4965	Approved
0.7013	Intermediate Similarity	NPD4967	Phase 2

Structure

NPC38996 OpenBabel07101718292D 24 26 0 0 1 0 0 0 0 0999 V2000 1.7071 -0.7071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7071 -0.7071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0532 2.6037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0694 4.6049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4483 2.6730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6730 1.4483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1554 3.3801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3801 2.1554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6730 1.4483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4483 2.6730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0000 -0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7071 1.7071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7071 1.7071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1213 3.1213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1213 3.1213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3801 2.1554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1554 3.3801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 1.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0000 1.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8284 3.8284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8284 3.8284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3461 1.8966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8966 4.3461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3 23 1 0 0 0 0 4 24 1 0 0 0 0 5 7 2 0 0 0 0 5 13 1 0 0 0 0 6 8 2 0 0 0 0 6 14 1 0 0 0 0 7 15 1 0 0 0 0 8 16 1 0 0 0 0 9 13 2 0 0 0 0 9 17 1 0 0 0 0 10 14 2 0 0 0 0 10 18 1 0 0 0 0 11 1 1 1 0 0 0 11 12 1 0 0 0 0 11 19 1 0 0 0 0 12 2 1 1 0 0 0 12 20 1 0 0 0 0 15 17 2 0 0 0 0 15 21 1 0 0 0 0 16 18 2 0 0 0 0 16 22 1 0 0 0 0 17 23 1 0 0 0 0 18 24 1 0 0 0 0 19 13 1 6 0 0 0 19 20 1 0 0 0 0 20 14 1 6 0 0 0 M END $$$$

External Identifiers

PubChem CID	25242508
ChEMBL	CHEMBL517222
ZINC

Physicochemical Properties

Molecular Weight:	328.17
ALogP:	-1.0192
MLogP:	3.22
XLogP:	4.776
# Rotatable Bonds:	10
Polar Surface Area:	58.92
# H-Bond Aceptor:	0
# H-Bond Donor:	2
# Rings:	3
# Heavy Atoms:	24

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