NPASS Natural Product

Natural Product: NPC474130

Natural Product ID:	NPC474130
Common Name:	Sargachromanol F
IUPAC Name:	(2R)-2-[(3E,7E,10R)-10-hydroxy-9-methoxy-4,8,12-trimethyltrideca-3,7,11-trienyl]-2,8-dimethyl-3,4-dihydrochromen-6-ol
Synonyms:	Sargachromanol F
Molecular Formula:	C28H42O4
Standard InCHIKey:	HIGHTOPFNURUCC-OPOQHEMHSA-N
Standard InCHI:	InChI=1S/C28H42O4/c1-19(2)16-25(30)27(31-7)21(4)12-8-10-20(3)11-9-14-28(6)15-13-23-18-24(29)17-22(5)26(23)32-28/h11-12,16-18,25,27,29-30H,8-10,13-15H2,1-7H3/b20-11+,21-12+/t25-,27?,28-/m1/s1
Canonical SMILES:	COC([C@@H](C=C(C)C)O)/C(=C/CC/C(=C/CC[C@]1(C)CCc2c(O1)c(C)cc(c2)O)/C)/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
NPO11479	Sargassum siliquastrum	Species	Sargassaceae	Eukaryota				PMID[15921416]
NPO11479	Sargassum siliquastrum	Species	Sargassaceae	Eukaryota				PMID[21377877]

Biological Activity

Activity Type	# Activity
IC50	2
MIC	6
Others	1

Activity Type	# Activity
Individual Protein	1
Organism	6
Others	2

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT566	Organism	Salmonella typhimurium	Salmonella enterica subsp. enterica serovar Typhimurium	MIC	>	100	ug/ml	PubChem BioAssay data set
NPT766	Organism	Proteus vulgaris	Proteus vulgaris	MIC	>	100	ug/ml	15979874
NPT1087	Individual Protein	Isocitrate lyase	Candida albicans	IC50	>	200	ug/ml	DrugMatrix in vitro pharmacology data
NPT2	Others	Unspecified		IC50	=	6000	nM	DrugMatrix in vivo data: Pathology
NPT79	Organism	Bacillus subtilis	Bacillus subtilis	MIC	>	100	ug/ml	18077363
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MIC	>	100	ug/ml	25646964
NPT1	Others	Radical scavenging activity		Activity	=	88.2	%	12502328
NPT729	Organism	Micrococcus luteus	Micrococcus luteus	MIC	>	100	ug/ml	2691635
NPT19	Organism	Escherichia coli	Escherichia coli	MIC	>	100	ug/ml	23795891

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 NPC474130 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	223
0.1-0.2	970
0.2-0.3	2267
0.3-0.4	6098
0.4-0.5	7688
0.5-0.6	2968
0.6-0.7	7355
0.7-0.8	3026
0.8-0.85	257
0.85-0.9	26
0.9-0.95	7
0.95-1	4

Similarity Score	Similarity Level	Natural Product ID
0.9914	High Similarity	NPC46586
0.9914	High Similarity	NPC204535
0.9655	High Similarity	NPC232295
0.9569	High Similarity	NPC32152
0.9487	High Similarity	NPC474131
0.931	High Similarity	NPC69539
0.9244	High Similarity	NPC473875
0.9231	High Similarity	NPC187993
0.9231	High Similarity	NPC238176
0.904	High Similarity	NPC59654
0.904	High Similarity	NPC271832
0.8992	High Similarity	NPC283616
0.8983	High Similarity	NPC154256
0.8983	High Similarity	NPC290470
0.8968	High Similarity	NPC475880
0.8943	High Similarity	NPC190086
0.8943	High Similarity	NPC276962
0.8926	High Similarity	NPC45663
0.8898	High Similarity	NPC473718
0.8898	High Similarity	NPC474143
0.8898	High Similarity	NPC474246
0.8852	High Similarity	NPC48623
0.8852	High Similarity	NPC168707
0.879	High Similarity	NPC147896
0.879	High Similarity	NPC474237
0.877	High Similarity	NPC475529
0.874	High Similarity	NPC97326
0.8682	High Similarity	NPC27578
0.8682	High Similarity	NPC289624
0.8678	High Similarity	NPC139047
0.8644	High Similarity	NPC474920
0.8629	High Similarity	NPC302211
0.8607	High Similarity	NPC51341
0.8593	High Similarity	NPC474154
0.8583	High Similarity	NPC473993
0.856	High Similarity	NPC261992
0.8527	High Similarity	NPC11089
0.8492	Intermediate Similarity	NPC61685
0.8487	Intermediate Similarity	NPC98372
0.848	Intermediate Similarity	NPC188997
0.8473	Intermediate Similarity	NPC211352
0.8462	Intermediate Similarity	NPC103799
0.8462	Intermediate Similarity	NPC153019
0.8455	Intermediate Similarity	NPC471449
0.845	Intermediate Similarity	NPC158477
0.843	Intermediate Similarity	NPC301321
0.8425	Intermediate Similarity	NPC477213
0.8421	Intermediate Similarity	NPC475628
0.8421	Intermediate Similarity	NPC472800
0.8421	Intermediate Similarity	NPC470802
0.8409	Intermediate Similarity	NPC16485
0.8397	Intermediate Similarity	NPC329427
0.8397	Intermediate Similarity	NPC317601
0.8397	Intermediate Similarity	NPC18842
0.8385	Intermediate Similarity	NPC262606
0.8385	Intermediate Similarity	NPC220935
0.8376	Intermediate Similarity	NPC233320
0.8372	Intermediate Similarity	NPC40377
0.8361	Intermediate Similarity	NPC126759
0.8361	Intermediate Similarity	NPC236070
0.8361	Intermediate Similarity	NPC242580
0.8346	Intermediate Similarity	NPC248557
0.8308	Intermediate Similarity	NPC472796
0.8308	Intermediate Similarity	NPC472795
0.8306	Intermediate Similarity	NPC163036
0.8295	Intermediate Similarity	NPC142087
0.8295	Intermediate Similarity	NPC469386
0.8295	Intermediate Similarity	NPC477211
0.8295	Intermediate Similarity	NPC95034
0.8295	Intermediate Similarity	NPC319422
0.8295	Intermediate Similarity	NPC477212
0.8295	Intermediate Similarity	NPC477214
0.8284	Intermediate Similarity	NPC327735
0.8284	Intermediate Similarity	NPC477939
0.8284	Intermediate Similarity	NPC472336
0.8284	Intermediate Similarity	NPC54743
0.8284	Intermediate Similarity	NPC156502
0.8284	Intermediate Similarity	NPC209985
0.8284	Intermediate Similarity	NPC472334
0.8284	Intermediate Similarity	NPC29799
0.8284	Intermediate Similarity	NPC263367
0.8284	Intermediate Similarity	NPC10737
0.8284	Intermediate Similarity	NPC177160
0.8281	Intermediate Similarity	NPC470726
0.8281	Intermediate Similarity	NPC131397
0.8281	Intermediate Similarity	NPC476254
0.8271	Intermediate Similarity	NPC49603
0.8271	Intermediate Similarity	NPC117048
0.8271	Intermediate Similarity	NPC193026
0.8271	Intermediate Similarity	NPC187616
0.8271	Intermediate Similarity	NPC124085
0.8271	Intermediate Similarity	NPC477210
0.8261	Intermediate Similarity	NPC50250
0.8261	Intermediate Similarity	NPC63879
0.8254	Intermediate Similarity	NPC290451
0.8254	Intermediate Similarity	NPC127389
0.8254	Intermediate Similarity	NPC476165
0.825	Intermediate Similarity	NPC275627
0.8244	Intermediate Similarity	NPC470727
0.8244	Intermediate Similarity	NPC143483
0.8244	Intermediate Similarity	NPC196621
0.8235	Intermediate Similarity	NPC473524
0.8235	Intermediate Similarity	NPC259519
0.8231	Intermediate Similarity	NPC211179
0.8231	Intermediate Similarity	NPC472968
0.8231	Intermediate Similarity	NPC87224
0.8231	Intermediate Similarity	NPC222572
0.8231	Intermediate Similarity	NPC274717
0.8231	Intermediate Similarity	NPC38604
0.8231	Intermediate Similarity	NPC47288
0.8226	Intermediate Similarity	NPC206205
0.8226	Intermediate Similarity	NPC329980
0.8222	Intermediate Similarity	NPC326797
0.8222	Intermediate Similarity	NPC474282
0.8222	Intermediate Similarity	NPC103976
0.8222	Intermediate Similarity	NPC176051
0.8222	Intermediate Similarity	NPC107551
0.8222	Intermediate Similarity	NPC102904
0.822	Intermediate Similarity	NPC194034
0.8217	Intermediate Similarity	NPC178284
0.8217	Intermediate Similarity	NPC191037
0.8217	Intermediate Similarity	NPC470724
0.8217	Intermediate Similarity	NPC58607
0.8214	Intermediate Similarity	NPC101376
0.8209	Intermediate Similarity	NPC472337
0.8209	Intermediate Similarity	NPC151224
0.8209	Intermediate Similarity	NPC476018
0.8209	Intermediate Similarity	NPC164787
0.8209	Intermediate Similarity	NPC475029
0.8209	Intermediate Similarity	NPC473413
0.8209	Intermediate Similarity	NPC134968
0.8209	Intermediate Similarity	NPC61946
0.8209	Intermediate Similarity	NPC234333
0.8209	Intermediate Similarity	NPC47398
0.8209	Intermediate Similarity	NPC260898
0.8203	Intermediate Similarity	NPC114901
0.8203	Intermediate Similarity	NPC94276
0.8203	Intermediate Similarity	NPC109822
0.8203	Intermediate Similarity	NPC293701
0.8203	Intermediate Similarity	NPC48990
0.8195	Intermediate Similarity	NPC26394
0.8195	Intermediate Similarity	NPC92805
0.8195	Intermediate Similarity	NPC85435
0.8188	Intermediate Similarity	NPC47633
0.8188	Intermediate Similarity	NPC102044
0.8188	Intermediate Similarity	NPC85264
0.8175	Intermediate Similarity	NPC129176
0.8175	Intermediate Similarity	NPC96423
0.8175	Intermediate Similarity	NPC207613
0.8175	Intermediate Similarity	NPC471389
0.8168	Intermediate Similarity	NPC5851
0.8168	Intermediate Similarity	NPC472797
0.8168	Intermediate Similarity	NPC86030
0.8167	Intermediate Similarity	NPC46844
0.8162	Intermediate Similarity	NPC471388
0.8162	Intermediate Similarity	NPC475836
0.8162	Intermediate Similarity	NPC19869
0.816	Intermediate Similarity	NPC311595
0.816	Intermediate Similarity	NPC24474
0.8154	Intermediate Similarity	NPC111247
0.8154	Intermediate Similarity	NPC147821
0.8154	Intermediate Similarity	NPC292056
0.8154	Intermediate Similarity	NPC319625
0.8154	Intermediate Similarity	NPC183181
0.8154	Intermediate Similarity	NPC41706
0.8154	Intermediate Similarity	NPC118787
0.8154	Intermediate Similarity	NPC163332
0.8151	Intermediate Similarity	NPC241549
0.8148	Intermediate Similarity	NPC302701
0.8148	Intermediate Similarity	NPC230734
0.8148	Intermediate Similarity	NPC474639
0.8148	Intermediate Similarity	NPC262585
0.8148	Intermediate Similarity	NPC20829
0.8148	Intermediate Similarity	NPC476698
0.8148	Intermediate Similarity	NPC269091
0.8148	Intermediate Similarity	NPC126101
0.8148	Intermediate Similarity	NPC18189
0.8148	Intermediate Similarity	NPC306441
0.8148	Intermediate Similarity	NPC16435
0.8148	Intermediate Similarity	NPC227503
0.8148	Intermediate Similarity	NPC3049
0.8145	Intermediate Similarity	NPC164386
0.814	Intermediate Similarity	NPC81641
0.814	Intermediate Similarity	NPC28476
0.814	Intermediate Similarity	NPC194519
0.814	Intermediate Similarity	NPC133407
0.8134	Intermediate Similarity	NPC478085
0.8129	Intermediate Similarity	NPC93323
0.8129	Intermediate Similarity	NPC45257
0.8129	Intermediate Similarity	NPC12641
0.8129	Intermediate Similarity	NPC280092
0.812	Intermediate Similarity	NPC51262
0.812	Intermediate Similarity	NPC230219
0.8116	Intermediate Similarity	NPC186033
0.811	Intermediate Similarity	NPC324571
0.811	Intermediate Similarity	NPC54872
0.811	Intermediate Similarity	NPC470212
0.811	Intermediate Similarity	NPC473853
0.811	Intermediate Similarity	NPC312675
0.811	Intermediate Similarity	NPC113865

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC474130 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	232
0.1-0.2	814
0.2-0.3	1576
0.3-0.4	2548
0.4-0.5	1960
0.5-0.6	1129
0.6-0.7	739
0.7-0.8	151
0.8-0.85	11
0.85-0.9	0
0.9-0.95	1
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.906	High Similarity	NPD6671	Approved
0.8361	Intermediate Similarity	NPD7340	Approved
0.8264	Intermediate Similarity	NPD1398	Phase 1
0.822	Intermediate Similarity	NPD290	Approved
0.8203	Intermediate Similarity	NPD6696	Suspended
0.8182	Intermediate Similarity	NPD7843	Approved
0.8154	Intermediate Similarity	NPD2861	Phase 2
0.8151	Intermediate Similarity	NPD2684	Approved
0.813	Intermediate Similarity	NPD7157	Approved
0.812	Intermediate Similarity	NPD4060	Phase 1
0.8106	Intermediate Similarity	NPD6410	Clinical (unspecified phase)
0.8031	Intermediate Similarity	NPD3496	Discontinued
0.7985	Intermediate Similarity	NPD1613	Approved
0.7985	Intermediate Similarity	NPD1612	Clinical (unspecified phase)
0.7983	Intermediate Similarity	NPD968	Approved
0.797	Intermediate Similarity	NPD7985	Registered
0.7969	Intermediate Similarity	NPD1091	Approved
0.7923	Intermediate Similarity	NPD8651	Approved
0.7846	Intermediate Similarity	NPD4749	Approved
0.7842	Intermediate Similarity	NPD2424	Discontinued
0.7786	Intermediate Similarity	NPD5698	Clinical (unspecified phase)
0.777	Intermediate Similarity	NPD5763	Approved
0.777	Intermediate Similarity	NPD5762	Approved
0.7761	Intermediate Similarity	NPD3027	Phase 3
0.7761	Intermediate Similarity	NPD4625	Phase 3
0.7744	Intermediate Similarity	NPD1530	Clinical (unspecified phase)
0.771	Intermediate Similarity	NPD3600	Clinical (unspecified phase)
0.7704	Intermediate Similarity	NPD4907	Clinical (unspecified phase)
0.7687	Intermediate Similarity	NPD1529	Clinical (unspecified phase)
0.7681	Intermediate Similarity	NPD4536	Approved
0.7681	Intermediate Similarity	NPD4538	Approved
0.7681	Intermediate Similarity	NPD4537	Clinical (unspecified phase)
0.7661	Intermediate Similarity	NPD228	Approved
0.766	Intermediate Similarity	NPD6674	Discontinued
0.7634	Intermediate Similarity	NPD2231	Phase 2
0.7634	Intermediate Similarity	NPD2235	Phase 2
0.7609	Intermediate Similarity	NPD6653	Approved
0.7606	Intermediate Similarity	NPD7982	Clinical (unspecified phase)
0.7578	Intermediate Similarity	NPD7644	Approved
0.7557	Intermediate Similarity	NPD1611	Approved
0.7556	Intermediate Similarity	NPD4908	Phase 1
0.7554	Intermediate Similarity	NPD7097	Phase 1
0.7537	Intermediate Similarity	NPD6917	Clinical (unspecified phase)
0.7536	Intermediate Similarity	NPD5735	Approved
0.7536	Intermediate Similarity	NPD6355	Discontinued
0.75	Intermediate Similarity	NPD5588	Approved
0.75	Intermediate Similarity	NPD5960	Phase 3
0.75	Intermediate Similarity	NPD7095	Approved
0.7467	Intermediate Similarity	NPD5929	Approved
0.7466	Intermediate Similarity	NPD2676	Approved
0.7466	Intermediate Similarity	NPD6090	Discontinued
0.7466	Intermediate Similarity	NPD2675	Approved
0.7464	Intermediate Similarity	NPD3620	Phase 2
0.7464	Intermediate Similarity	NPD3619	Clinical (unspecified phase)
0.746	Intermediate Similarity	NPD7635	Approved
0.7447	Intermediate Similarity	NPD6032	Approved
0.7445	Intermediate Similarity	NPD6798	Discontinued
0.7424	Intermediate Similarity	NPD1610	Phase 2
0.7417	Intermediate Similarity	NPD289	Clinical (unspecified phase)
0.7407	Intermediate Similarity	NPD6584	Phase 3
0.7407	Intermediate Similarity	NPD3690	Phase 2
0.7407	Intermediate Similarity	NPD3691	Phase 2
0.7405	Intermediate Similarity	NPD5846	Approved
0.7405	Intermediate Similarity	NPD6516	Phase 2
0.7405	Intermediate Similarity	NPD4626	Approved
0.7402	Intermediate Similarity	NPD5283	Phase 1
0.7391	Intermediate Similarity	NPD6233	Phase 2
0.7379	Intermediate Similarity	NPD5058	Phase 3
0.7368	Intermediate Similarity	NPD2230	Approved
0.7368	Intermediate Similarity	NPD2232	Approved
0.7368	Intermediate Similarity	NPD2233	Approved
0.7361	Intermediate Similarity	NPD4535	Phase 3
0.7328	Intermediate Similarity	NPD5691	Approved
0.7324	Intermediate Similarity	NPD2935	Discontinued
0.7313	Intermediate Similarity	NPD5327	Phase 3
0.731	Intermediate Similarity	NPD2677	Approved
0.7299	Intermediate Similarity	NPD596	Approved
0.7299	Intermediate Similarity	NPD600	Approved
0.7293	Intermediate Similarity	NPD776	Approved
0.7286	Intermediate Similarity	NPD5124	Phase 1
0.7286	Intermediate Similarity	NPD5123	Clinical (unspecified phase)
0.7273	Intermediate Similarity	NPD1778	Approved
0.7266	Intermediate Similarity	NPD839	Approved
0.7266	Intermediate Similarity	NPD840	Approved
0.7254	Intermediate Similarity	NPD2156	Approved
0.7254	Intermediate Similarity	NPD2155	Approved
0.7254	Intermediate Similarity	NPD2154	Approved
0.7252	Intermediate Similarity	NPD1548	Phase 1
0.7248	Intermediate Similarity	NPD1653	Approved
0.7241	Intermediate Similarity	NPD6398	Clinical (unspecified phase)
0.7237	Intermediate Similarity	NPD2393	Clinical (unspecified phase)
0.7234	Intermediate Similarity	NPD6353	Approved
0.7227	Intermediate Similarity	NPD844	Approved
0.7226	Intermediate Similarity	NPD2237	Approved
0.7214	Intermediate Similarity	NPD3597	Clinical (unspecified phase)
0.7214	Intermediate Similarity	NPD2238	Phase 2
0.7214	Intermediate Similarity	NPD4140	Approved
0.7213	Intermediate Similarity	NPD291	Approved
0.7206	Intermediate Similarity	NPD1794	Approved
0.7203	Intermediate Similarity	NPD6100	Approved
0.7203	Intermediate Similarity	NPD6099	Approved
0.7197	Intermediate Similarity	NPD1357	Approved
0.7188	Intermediate Similarity	NPD821	Approved
0.7185	Intermediate Similarity	NPD3685	Discontinued
0.7185	Intermediate Similarity	NPD4379	Clinical (unspecified phase)
0.7185	Intermediate Similarity	NPD6582	Phase 2
0.7185	Intermediate Similarity	NPD6583	Phase 3
0.7179	Intermediate Similarity	NPD9365	Approved
0.7172	Intermediate Similarity	NPD5061	Approved
0.7172	Intermediate Similarity	NPD5062	Approved
0.7172	Intermediate Similarity	NPD5177	Phase 3
0.7171	Intermediate Similarity	NPD4433	Discontinued
0.7162	Intermediate Similarity	NPD7446	Clinical (unspecified phase)
0.7154	Intermediate Similarity	NPD2557	Approved
0.7153	Intermediate Similarity	NPD6003	Clinical (unspecified phase)
0.7153	Intermediate Similarity	NPD6002	Phase 3
0.7153	Intermediate Similarity	NPD6006	Clinical (unspecified phase)
0.7153	Intermediate Similarity	NPD6005	Phase 3
0.7153	Intermediate Similarity	NPD6004	Phase 3
0.7153	Intermediate Similarity	NPD558	Phase 2
0.7143	Intermediate Similarity	NPD3162	Approved
0.7143	Intermediate Similarity	NPD3163	Approved
0.7133	Intermediate Similarity	NPD7033	Discontinued
0.7113	Intermediate Similarity	NPD2157	Approved
0.7101	Intermediate Similarity	NPD1712	Approved
0.7095	Intermediate Similarity	NPD1774	Approved
0.7095	Intermediate Similarity	NPD7041	Phase 2
0.7095	Intermediate Similarity	NPD7040	Clinical (unspecified phase)
0.7092	Intermediate Similarity	NPD5837	Clinical (unspecified phase)
0.7087	Intermediate Similarity	NPD3022	Approved
0.7087	Intermediate Similarity	NPD3021	Approved
0.7078	Intermediate Similarity	NPD2415	Discontinued
0.7071	Intermediate Similarity	NPD1699	Clinical (unspecified phase)
0.7068	Intermediate Similarity	NPD6382	Discontinued
0.7068	Intermediate Similarity	NPD3445	Approved
0.7068	Intermediate Similarity	NPD3443	Approved
0.7068	Intermediate Similarity	NPD5585	Approved
0.7068	Intermediate Similarity	NPD3444	Approved
0.7059	Intermediate Similarity	NPD1934	Approved
0.7059	Intermediate Similarity	NPD845	Approved
0.7055	Intermediate Similarity	NPD1652	Phase 2
0.7054	Intermediate Similarity	NPD5535	Approved
0.7054	Intermediate Similarity	NPD1138	Approved
0.7047	Intermediate Similarity	NPD1754	Clinical (unspecified phase)
0.7039	Intermediate Similarity	NPD4380	Phase 2
0.7037	Intermediate Similarity	NPD3705	Approved
0.7037	Intermediate Similarity	NPD1535	Discovery
0.7029	Intermediate Similarity	NPD5647	Approved
0.7027	Intermediate Similarity	NPD3122	Phase 3
0.7025	Intermediate Similarity	NPD288	Approved
0.7023	Intermediate Similarity	NPD6387	Discontinued
0.7021	Intermediate Similarity	NPD4062	Phase 3
0.7021	Intermediate Similarity	NPD7477	Discontinued
0.7013	Intermediate Similarity	NPD8455	Phase 2
0.7009	Intermediate Similarity	NPD9295	Approved
0.7007	Intermediate Similarity	NPD7976	Clinical (unspecified phase)
0.7007	Intermediate Similarity	NPD6331	Phase 2
0.7007	Intermediate Similarity	NPD7835	Discontinued
0.7007	Intermediate Similarity	NPD4628	Phase 3
0.7006	Intermediate Similarity	NPD4666	Phase 3
0.7	Intermediate Similarity	NPD594	Approved
0.7	Intermediate Similarity	NPD7159	Clinical (unspecified phase)
0.7	Intermediate Similarity	NPD592	Approved
0.6993	Remote Similarity	NPD6072	Discontinued
0.6987	Remote Similarity	NPD7075	Discontinued
0.6985	Remote Similarity	NPD1481	Phase 2
0.6977	Remote Similarity	NPD6124	Clinical (unspecified phase)
0.6977	Remote Similarity	NPD1139	Approved
0.6977	Remote Similarity	NPD1137	Approved
0.6974	Remote Similarity	NPD5808	Clinical (unspecified phase)
0.6957	Remote Similarity	NPD1820	Approved
0.6957	Remote Similarity	NPD3094	Phase 2
0.6957	Remote Similarity	NPD2797	Approved
0.6957	Remote Similarity	NPD1819	Approved
0.6957	Remote Similarity	NPD6362	Approved
0.6957	Remote Similarity	NPD1818	Approved
0.6957	Remote Similarity	NPD4098	Discontinued
0.6957	Remote Similarity	NPD1817	Approved
0.6953	Remote Similarity	NPD4750	Phase 3
0.695	Remote Similarity	NPD1048	Approved
0.695	Remote Similarity	NPD1336	Approved
0.695	Remote Similarity	NPD6859	Clinical (unspecified phase)
0.6948	Remote Similarity	NPD6844	Discontinued
0.6943	Remote Similarity	NPD5709	Phase 3
0.6942	Remote Similarity	NPD1809	Phase 2
0.6942	Remote Similarity	NPD2860	Approved
0.6942	Remote Similarity	NPD2859	Approved
0.694	Remote Similarity	NPD3049	Approved
0.6939	Remote Similarity	NPD4162	Approved
0.6933	Remote Similarity	NPD7004	Clinical (unspecified phase)
0.6933	Remote Similarity	NPD6184	Discontinued
0.6929	Remote Similarity	NPD5752	Clinical (unspecified phase)
0.6929	Remote Similarity	NPD1358	Approved
0.6923	Remote Similarity	NPD4868	Clinical (unspecified phase)
0.6918	Remote Similarity	NPD7266	Discontinued
0.6918	Remote Similarity	NPD7030	Discontinued
0.6918	Remote Similarity	NPD2346	Discontinued
0.6914	Remote Similarity	NPD5844	Phase 1
0.6913	Remote Similarity	NPD6666	Approved
0.6913	Remote Similarity	NPD6667	Approved

Structure

NPC474130 OpenBabel07101718292D 32 33 0 0 1 0 0 0 0 0999 V2000 -10.1971 1.4826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9724 2.7074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0567 -1.9836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8510 0.5860 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 -0.7355 0.4914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6275 -2.3117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4368 -0.8282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5391 -0.0517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7297 -1.5353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5050 -0.3105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4028 -1.0870 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 -1.8320 -0.7588 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 -8.5241 1.0343 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 1.7321 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2312 1.7414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7638 -1.2765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1099 -0.3799 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 -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 -8.7829 0.0684 0.0000 C 0 0 2 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 -8.0758 -0.6387 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.8660 -0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4641 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.7488 -0.1904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.3346 -1.6046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 2 19 1 0 0 0 0 3 20 1 0 0 0 0 4 21 1 0 0 0 0 5 22 1 0 0 0 0 7 31 1 0 0 0 0 8 10 1 0 0 0 0 8 12 1 0 0 0 0 9 11 1 0 0 0 0 9 14 1 0 0 0 0 10 20 1 0 0 0 0 11 20 2 0 0 0 0 12 21 2 0 0 0 0 13 15 1 0 0 0 0 13 23 1 0 0 0 0 14 28 1 0 0 0 0 15 28 1 0 0 0 0 16 19 2 0 0 0 0 16 25 1 0 0 0 0 17 22 1 0 0 0 0 17 24 2 0 0 0 0 18 23 2 0 0 0 0 18 24 1 0 0 0 0 21 27 1 0 0 0 0 22 26 2 0 0 0 0 23 26 1 0 0 0 0 24 29 1 0 0 0 0 25 27 1 0 0 0 0 25 30 1 6 0 0 0 26 32 1 0 0 0 0 27 31 1 0 0 0 0 28 6 1 6 0 0 0 28 32 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	11430657
ChEMBL	CHEMBL462715
ZINC

Physicochemical Properties

Molecular Weight:	442.31
ALogP:	4.1011
MLogP:	4.1
XLogP:	5.447
# Rotatable Bonds:	19
Polar Surface Area:	58.92
# H-Bond Aceptor:	2
# H-Bond Donor:	2
# Rings:	2
# Heavy Atoms:	32

Download Data

Data Type	Select
General Info & Identifiers & Properties
Structure MOL file
Source Organisms
Biological Activities
Similar NPs/Drugs