NPASS Natural Product

Natural Product: NPC475179

Natural Product ID:	NPC475179
Common Name:	Stenopalustroside E
IUPAC Name:	[(2R,3R,4S,5R,6S)-2-[[(E)-3-[4-[1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy-3-methoxyphenyl]prop-2-enoyl]oxymethyl]-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-3,5-dihydroxyoxan-4-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
Synonyms:	stenopalustroside E
Molecular Formula:	C50H46O20
Standard InCHIKey:	WGYORXDPWQXLQS-LTYYXYBQSA-N
Standard InCHI:	InChI=1S/C50H46O20/c1-63-35-20-28(10-15-32(35)55)43(59)38(23-51)66-34-16-5-26(19-36(34)64-2)7-17-40(57)65-24-39-44(60)48(69-41(58)18-6-25-3-11-29(52)12-4-25)46(62)50(68-39)70-49-45(61)42-33(56)21-31(54)22-37(42)67-47(49)27-8-13-30(53)14-9-27/h3-22,38-39,43-44,46,48,50-56,59-60,62H,23-24H2,1-2H3/b17-7+,18-6+/t38?,39-,43?,44-,46-,48+,50+/m1/s1
Canonical SMILES:	COc1cc(/C=C/C(=O)OC[C@H]2O[C@@H](Oc3c(oc4c(c3=O)c(O)cc(c4)O)c3ccc(cc3)O)[C@@H]([C@H]([C@@H]2O)OC(=O)/C=C/c2ccc(cc2)O)O)ccc1OC(C(c1ccc(c(c1)OC)O)O)CO
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
NPO12512	Stenochlaena palustris	Species	Blechnaceae	Eukaryota	Leaves			PMID[9917285]

Biological Activity

Activity Type	# Activity
MIC	4

Activity Type	# Activity
Organism	4

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT17	Organism	Staphylococcus epidermidis	Staphylococcus epidermidis	MIC	>	256	ug/ml	11421731
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MIC	>	256	ug/ml	11421731
NPT729	Organism	Micrococcus luteus	Micrococcus luteus	MIC	>	256	ug/ml	Open TG-GATES in vivo data: Biochemistry
NPT314	Organism	Bacillus cereus	Bacillus cereus	MIC	>	256	ug/ml	Open TG-GATES in vivo data: Biochemistry

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 NPC475179 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	340
0.1-0.2	1327
0.2-0.3	2906
0.3-0.4	6057
0.4-0.5	6224
0.5-0.6	3637
0.6-0.7	3943
0.7-0.8	4278
0.8-0.85	1365
0.85-0.9	485
0.9-0.95	283
0.95-1	44

Similarity Score	Similarity Level	Natural Product ID
0.9941	High Similarity	NPC474093
0.9941	High Similarity	NPC104910
0.9767	High Similarity	NPC72554
0.9767	High Similarity	NPC97817
0.9767	High Similarity	NPC30011
0.9766	High Similarity	NPC470717
0.9766	High Similarity	NPC470713
0.9766	High Similarity	NPC460984
0.9766	High Similarity	NPC21359
0.9766	High Similarity	NPC25946
0.9766	High Similarity	NPC470720
0.9709	High Similarity	NPC470719
0.9709	High Similarity	NPC473554
0.9709	High Similarity	NPC295625
0.9708	High Similarity	NPC162394
0.9708	High Similarity	NPC470718
0.9708	High Similarity	NPC297503
0.9708	High Similarity	NPC241781
0.9708	High Similarity	NPC97119
0.9708	High Similarity	NPC156785
0.9708	High Similarity	NPC135831
0.9706	High Similarity	NPC471030
0.9651	High Similarity	NPC223860
0.9651	High Similarity	NPC275977
0.9651	High Similarity	NPC249560
0.9647	High Similarity	NPC139571
0.9647	High Similarity	NPC217520
0.9647	High Similarity	NPC477895
0.9595	High Similarity	NPC33083
0.9538	High Similarity	NPC470416
0.9532	High Similarity	NPC37668
0.9532	High Similarity	NPC196127
0.9532	High Similarity	NPC267680
0.9532	High Similarity	NPC113836
0.9532	High Similarity	NPC35167
0.9532	High Similarity	NPC253521
0.9532	High Similarity	NPC293626
0.9532	High Similarity	NPC173837
0.9532	High Similarity	NPC217387
0.9532	High Similarity	NPC258044
0.9529	High Similarity	NPC214621
0.9529	High Similarity	NPC223426
0.9529	High Similarity	NPC81042
0.9529	High Similarity	NPC34267
0.948	High Similarity	NPC35924
0.948	High Similarity	NPC199172
0.948	High Similarity	NPC36138
0.9474	High Similarity	NPC473862
0.9474	High Similarity	NPC471669
0.9474	High Similarity	NPC144097
0.9474	High Similarity	NPC89127
0.9474	High Similarity	NPC61904
0.9471	High Similarity	NPC472993
0.9429	High Similarity	NPC64755
0.9425	High Similarity	NPC470455
0.9425	High Similarity	NPC470451
0.9419	High Similarity	NPC251417
0.9419	High Similarity	NPC89052
0.9415	High Similarity	NPC294815
0.9415	High Similarity	NPC473327
0.9415	High Similarity	NPC220173
0.9415	High Similarity	NPC19108
0.9415	High Similarity	NPC476472
0.9415	High Similarity	NPC16194
0.9412	High Similarity	NPC11847
0.9412	High Similarity	NPC101399
0.9412	High Similarity	NPC153755
0.9412	High Similarity	NPC221288
0.9412	High Similarity	NPC217822
0.9368	High Similarity	NPC470449
0.9368	High Similarity	NPC470447
0.9368	High Similarity	NPC470445
0.9368	High Similarity	NPC470446
0.9364	High Similarity	NPC192539
0.936	High Similarity	NPC122467
0.936	High Similarity	NPC48984
0.936	High Similarity	NPC14187
0.936	High Similarity	NPC202908
0.936	High Similarity	NPC231787
0.936	High Similarity	NPC219043
0.936	High Similarity	NPC292019
0.9357	High Similarity	NPC4390
0.9357	High Similarity	NPC172033
0.9357	High Similarity	NPC476374
0.9357	High Similarity	NPC88560
0.9357	High Similarity	NPC175230
0.9353	High Similarity	NPC206123
0.9353	High Similarity	NPC116864
0.9353	High Similarity	NPC244776
0.9353	High Similarity	NPC188815
0.9353	High Similarity	NPC96605
0.9353	High Similarity	NPC92815
0.9353	High Similarity	NPC218161
0.9353	High Similarity	NPC469344
0.9353	High Similarity	NPC280642
0.9337	High Similarity	NPC470450
0.9318	High Similarity	NPC65489
0.9306	High Similarity	NPC120952
0.9302	High Similarity	NPC253685
0.9298	High Similarity	NPC175107
0.9298	High Similarity	NPC134532
0.9298	High Similarity	NPC60735
0.9298	High Similarity	NPC176740
0.9298	High Similarity	NPC26230
0.9298	High Similarity	NPC471725
0.9298	High Similarity	NPC476370
0.9298	High Similarity	NPC33054
0.9298	High Similarity	NPC190003
0.9298	High Similarity	NPC155877
0.9298	High Similarity	NPC203259
0.9298	High Similarity	NPC474522
0.9298	High Similarity	NPC471748
0.9294	High Similarity	NPC223747
0.9294	High Similarity	NPC225434
0.9294	High Similarity	NPC219904
0.9294	High Similarity	NPC120099
0.9294	High Similarity	NPC203050
0.9253	High Similarity	NPC470444
0.9253	High Similarity	NPC473571
0.9253	High Similarity	NPC470443
0.9253	High Similarity	NPC473682
0.9253	High Similarity	NPC110941
0.9253	High Similarity	NPC241423
0.9253	High Similarity	NPC126784
0.9249	High Similarity	NPC472992
0.9249	High Similarity	NPC198324
0.9249	High Similarity	NPC472991
0.9249	High Similarity	NPC472385
0.9249	High Similarity	NPC154741
0.9249	High Similarity	NPC296018
0.924	High Similarity	NPC255157
0.924	High Similarity	NPC476365
0.924	High Similarity	NPC285197
0.924	High Similarity	NPC149011
0.924	High Similarity	NPC164704
0.924	High Similarity	NPC67326
0.924	High Similarity	NPC67105
0.924	High Similarity	NPC470712
0.924	High Similarity	NPC259896
0.924	High Similarity	NPC235260
0.924	High Similarity	NPC156869
0.924	High Similarity	NPC95866
0.924	High Similarity	NPC155763
0.924	High Similarity	NPC29958
0.924	High Similarity	NPC204937
0.924	High Similarity	NPC254855
0.924	High Similarity	NPC20505
0.924	High Similarity	NPC136042
0.9235	High Similarity	NPC325555
0.9235	High Similarity	NPC173637
0.9235	High Similarity	NPC127546
0.9235	High Similarity	NPC317489
0.9235	High Similarity	NPC52550
0.9235	High Similarity	NPC265530
0.9235	High Similarity	NPC223424
0.9235	High Similarity	NPC84362
0.9235	High Similarity	NPC226304
0.9205	High Similarity	NPC231254
0.92	High Similarity	NPC469371
0.9195	High Similarity	NPC476773
0.9191	High Similarity	NPC49344
0.9191	High Similarity	NPC101191
0.9191	High Similarity	NPC43211
0.9191	High Similarity	NPC198199
0.9191	High Similarity	NPC210094
0.9191	High Similarity	NPC477848
0.9191	High Similarity	NPC115760
0.9191	High Similarity	NPC264735
0.9191	High Similarity	NPC237435
0.9191	High Similarity	NPC135277
0.9186	High Similarity	NPC470714
0.9186	High Similarity	NPC67134
0.9186	High Similarity	NPC180918
0.9186	High Similarity	NPC470715
0.9186	High Similarity	NPC47140
0.9186	High Similarity	NPC470716
0.9181	High Similarity	NPC138927
0.9181	High Similarity	NPC86008
0.9181	High Similarity	NPC227508
0.9181	High Similarity	NPC195257
0.9181	High Similarity	NPC209296
0.9176	High Similarity	NPC179950
0.9176	High Similarity	NPC277174
0.9176	High Similarity	NPC73855
0.9176	High Similarity	NPC118284
0.9176	High Similarity	NPC253662
0.9176	High Similarity	NPC281131
0.9176	High Similarity	NPC197285
0.9176	High Similarity	NPC56077
0.9176	High Similarity	NPC473278
0.9176	High Similarity	NPC328940
0.9176	High Similarity	NPC308404
0.9176	High Similarity	NPC88789
0.9176	High Similarity	NPC274618
0.9176	High Similarity	NPC21100
0.9176	High Similarity	NPC260504
0.9176	High Similarity	NPC145038
0.9176	High Similarity	NPC135599
0.9176	High Similarity	NPC89809
0.9176	High Similarity	NPC276222

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC475179 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	346
0.1-0.2	914
0.2-0.3	1993
0.3-0.4	2605
0.4-0.5	1897
0.5-0.6	921
0.6-0.7	337
0.7-0.8	110
0.8-0.85	23
0.85-0.9	8
0.9-0.95	7
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.9415	High Similarity	NPD7808	Phase 3
0.9357	High Similarity	NPD7251	Discontinued
0.9298	High Similarity	NPD6797	Phase 2
0.924	High Similarity	NPD7472	Approved
0.9191	High Similarity	NPD4338	Clinical (unspecified phase)
0.9181	High Similarity	NPD7054	Approved
0.9017	High Similarity	NPD7074	Phase 3
0.8895	High Similarity	NPD6168	Clinical (unspecified phase)
0.8895	High Similarity	NPD6166	Phase 2
0.8895	High Similarity	NPD6167	Clinical (unspecified phase)
0.8857	High Similarity	NPD7993	Clinical (unspecified phase)
0.8851	High Similarity	NPD7804	Clinical (unspecified phase)
0.8793	High Similarity	NPD3818	Discontinued
0.8655	High Similarity	NPD4381	Clinical (unspecified phase)
0.8647	High Similarity	NPD3817	Phase 2
0.8488	Intermediate Similarity	NPD4868	Clinical (unspecified phase)
0.8439	Intermediate Similarity	NPD7075	Discontinued
0.8421	Intermediate Similarity	NPD1934	Approved
0.8398	Intermediate Similarity	NPD8313	Approved
0.8398	Intermediate Similarity	NPD8312	Approved
0.8382	Intermediate Similarity	NPD3882	Suspended
0.8378	Intermediate Similarity	NPD7879	Clinical (unspecified phase)
0.827	Intermediate Similarity	NPD8397	Clinical (unspecified phase)
0.8266	Intermediate Similarity	NPD2393	Clinical (unspecified phase)
0.8266	Intermediate Similarity	NPD7096	Clinical (unspecified phase)
0.8266	Intermediate Similarity	NPD2801	Approved
0.8218	Intermediate Similarity	NPD5402	Approved
0.8208	Intermediate Similarity	NPD6801	Discontinued
0.8187	Intermediate Similarity	NPD6559	Discontinued
0.8176	Intermediate Similarity	NPD1512	Approved
0.8129	Intermediate Similarity	NPD5403	Approved
0.8092	Intermediate Similarity	NPD4380	Phase 2
0.8059	Intermediate Similarity	NPD1511	Approved
0.8059	Intermediate Similarity	NPD6799	Approved
0.8056	Intermediate Similarity	NPD7852	Clinical (unspecified phase)
0.8022	Intermediate Similarity	NPD5844	Phase 1
0.802	Intermediate Similarity	NPD8151	Discontinued
0.8012	Intermediate Similarity	NPD5401	Approved
0.7989	Intermediate Similarity	NPD7685	Pre-registration
0.7977	Intermediate Similarity	NPD1653	Approved
0.7955	Intermediate Similarity	NPD8455	Phase 2
0.7955	Intermediate Similarity	NPD7819	Suspended
0.7943	Intermediate Similarity	NPD7411	Suspended
0.7919	Intermediate Similarity	NPD6980	Clinical (unspecified phase)
0.7914	Intermediate Similarity	NPD8055	Clinical (unspecified phase)
0.7912	Intermediate Similarity	NPD7473	Discontinued
0.791	Intermediate Similarity	NPD8443	Clinical (unspecified phase)
0.7901	Intermediate Similarity	NPD7184	Clinical (unspecified phase)
0.7889	Intermediate Similarity	NPD6959	Discontinued
0.7869	Intermediate Similarity	NPD7228	Approved
0.7869	Intermediate Similarity	NPD3751	Discontinued
0.7865	Intermediate Similarity	NPD7768	Phase 2
0.7857	Intermediate Similarity	NPD7435	Discontinued
0.7845	Intermediate Similarity	NPD3787	Discontinued
0.7845	Intermediate Similarity	NPD6232	Discontinued
0.7803	Intermediate Similarity	NPD4378	Clinical (unspecified phase)
0.779	Intermediate Similarity	NPD7199	Phase 2
0.7784	Intermediate Similarity	NPD6599	Discontinued
0.7753	Intermediate Similarity	NPD1465	Phase 2
0.7735	Intermediate Similarity	NPD5494	Approved
0.7732	Intermediate Similarity	NPD8090	Clinical (unspecified phase)
0.7727	Intermediate Similarity	NPD7871	Phase 2
0.7727	Intermediate Similarity	NPD7870	Phase 2
0.7711	Intermediate Similarity	NPD7875	Clinical (unspecified phase)
0.7711	Intermediate Similarity	NPD7874	Approved
0.7701	Intermediate Similarity	NPD7410	Clinical (unspecified phase)
0.768	Intermediate Similarity	NPD919	Approved
0.7661	Intermediate Similarity	NPD1549	Phase 2
0.763	Intermediate Similarity	NPD6190	Approved
0.7614	Intermediate Similarity	NPD6776	Approved
0.7614	Intermediate Similarity	NPD6781	Approved
0.7614	Intermediate Similarity	NPD6780	Approved
0.7614	Intermediate Similarity	NPD6782	Approved
0.7614	Intermediate Similarity	NPD6779	Approved
0.7614	Intermediate Similarity	NPD6778	Approved
0.7614	Intermediate Similarity	NPD6777	Approved
0.7602	Intermediate Similarity	NPD1550	Clinical (unspecified phase)
0.7602	Intermediate Similarity	NPD1552	Clinical (unspecified phase)
0.7602	Intermediate Similarity	NPD7266	Discontinued
0.7588	Intermediate Similarity	NPD7698	Approved
0.7588	Intermediate Similarity	NPD7697	Approved
0.7588	Intermediate Similarity	NPD7696	Phase 3
0.7582	Intermediate Similarity	NPD6234	Discontinued
0.755	Intermediate Similarity	NPD8319	Approved
0.755	Intermediate Similarity	NPD8320	Phase 1
0.7544	Intermediate Similarity	NPD2796	Approved
0.7543	Intermediate Similarity	NPD6143	Clinical (unspecified phase)
0.7527	Intermediate Similarity	NPD3749	Approved
0.7525	Intermediate Similarity	NPD7701	Phase 2
0.7513	Intermediate Similarity	NPD7240	Approved
0.7512	Intermediate Similarity	NPD8155	Clinical (unspecified phase)
0.75	Intermediate Similarity	NPD7782	Clinical (unspecified phase)
0.75	Intermediate Similarity	NPD7783	Phase 2
0.75	Intermediate Similarity	NPD37	Approved
0.7485	Intermediate Similarity	NPD1510	Phase 2
0.7473	Intermediate Similarity	NPD4965	Approved
0.7473	Intermediate Similarity	NPD4967	Phase 2
0.7473	Intermediate Similarity	NPD4966	Approved
0.7471	Intermediate Similarity	NPD1878	Clinical (unspecified phase)
0.743	Intermediate Similarity	NPD7458	Discontinued
0.7424	Intermediate Similarity	NPD7699	Phase 2
0.7424	Intermediate Similarity	NPD7700	Phase 2
0.7419	Intermediate Similarity	NPD3926	Phase 2
0.7415	Intermediate Similarity	NPD7801	Approved
0.7412	Intermediate Similarity	NPD1933	Approved
0.7409	Intermediate Similarity	NPD8150	Discontinued
0.7405	Intermediate Similarity	NPD1247	Approved
0.7389	Intermediate Similarity	NPD7584	Approved
0.7371	Intermediate Similarity	NPD3750	Approved
0.736	Intermediate Similarity	NPD6534	Approved
0.736	Intermediate Similarity	NPD6535	Approved
0.7356	Intermediate Similarity	NPD970	Clinical (unspecified phase)
0.732	Intermediate Similarity	NPD8434	Phase 2
0.7314	Intermediate Similarity	NPD7421	Clinical (unspecified phase)
0.731	Intermediate Similarity	NPD230	Phase 1
0.7287	Intermediate Similarity	NPD7784	Clinical (unspecified phase)
0.7277	Intermediate Similarity	NPD6823	Phase 2
0.7273	Intermediate Similarity	NPD4628	Phase 3
0.7251	Intermediate Similarity	NPD1240	Approved
0.7251	Intermediate Similarity	NPD1612	Clinical (unspecified phase)
0.7251	Intermediate Similarity	NPD1613	Approved
0.7241	Intermediate Similarity	NPD7680	Approved
0.7241	Intermediate Similarity	NPD1551	Phase 2
0.7235	Intermediate Similarity	NPD6859	Clinical (unspecified phase)
0.7209	Intermediate Similarity	NPD447	Suspended
0.7184	Intermediate Similarity	NPD7585	Approved
0.7168	Intermediate Similarity	NPD1607	Approved
0.7151	Intermediate Similarity	NPD7390	Discontinued
0.7151	Intermediate Similarity	NPD943	Approved
0.7143	Intermediate Similarity	NPD2935	Discontinued
0.7136	Intermediate Similarity	NPD7583	Approved
0.7135	Intermediate Similarity	NPD6798	Discontinued
0.7129	Intermediate Similarity	NPD7237	Clinical (unspecified phase)
0.7128	Intermediate Similarity	NPD8127	Discontinued
0.7111	Intermediate Similarity	NPD7004	Clinical (unspecified phase)
0.7093	Intermediate Similarity	NPD6233	Phase 2
0.7086	Intermediate Similarity	NPD3748	Approved
0.7076	Intermediate Similarity	NPD3027	Phase 3
0.7049	Intermediate Similarity	NPD3226	Approved
0.7037	Intermediate Similarity	NPD5619	Clinical (unspecified phase)
0.7033	Intermediate Similarity	NPD920	Approved
0.7018	Intermediate Similarity	NPD6832	Phase 2
0.7018	Intermediate Similarity	NPD1529	Clinical (unspecified phase)
0.7017	Intermediate Similarity	NPD2532	Approved
0.7017	Intermediate Similarity	NPD2533	Approved
0.7017	Intermediate Similarity	NPD2534	Approved
0.701	Intermediate Similarity	NPD5953	Discontinued
0.701	Intermediate Similarity	NPD7501	Clinical (unspecified phase)
0.6995	Remote Similarity	NPD7286	Phase 2
0.6989	Remote Similarity	NPD651	Clinical (unspecified phase)
0.6983	Remote Similarity	NPD8166	Discontinued
0.6965	Remote Similarity	NPD6213	Phase 3
0.6965	Remote Similarity	NPD6212	Phase 3
0.6965	Remote Similarity	NPD6214	Clinical (unspecified phase)
0.6959	Remote Similarity	NPD1530	Clinical (unspecified phase)
0.6957	Remote Similarity	NPD5808	Clinical (unspecified phase)
0.6952	Remote Similarity	NPD5353	Approved
0.6939	Remote Similarity	NPD7549	Discontinued
0.6927	Remote Similarity	NPD1243	Approved
0.6927	Remote Similarity	NPD6674	Discontinued
0.6923	Remote Similarity	NPD642	Clinical (unspecified phase)
0.6914	Remote Similarity	NPD6355	Discontinued
0.6906	Remote Similarity	NPD643	Clinical (unspecified phase)
0.6893	Remote Similarity	NPD7033	Discontinued
0.6889	Remote Similarity	NPD6398	Clinical (unspecified phase)
0.6888	Remote Similarity	NPD7039	Approved
0.6888	Remote Similarity	NPD7038	Approved
0.6845	Remote Similarity	NPD6844	Discontinued
0.6842	Remote Similarity	NPD1203	Approved
0.6842	Remote Similarity	NPD7211	Clinical (unspecified phase)
0.6839	Remote Similarity	NPD2313	Discontinued
0.6836	Remote Similarity	NPD7097	Phase 1
0.6833	Remote Similarity	NPD1652	Phase 2
0.6831	Remote Similarity	NPD7422	Clinical (unspecified phase)
0.6822	Remote Similarity	NPD7930	Approved
0.6821	Remote Similarity	NPD4908	Phase 1
0.6818	Remote Similarity	NPD1899	Clinical (unspecified phase)
0.6816	Remote Similarity	NPD2346	Discontinued
0.6798	Remote Similarity	NPD2799	Discontinued
0.6791	Remote Similarity	NPD6386	Approved
0.6791	Remote Similarity	NPD6385	Approved
0.6788	Remote Similarity	NPD5242	Approved
0.6787	Remote Similarity	NPD8059	Phase 3
0.6787	Remote Similarity	NPD8058	Clinical (unspecified phase)
0.6784	Remote Similarity	NPD7090	Clinical (unspecified phase)
0.6769	Remote Similarity	NPD7799	Discontinued
0.6768	Remote Similarity	NPD4419	Clinical (unspecified phase)
0.6765	Remote Similarity	NPD4360	Phase 2
0.6765	Remote Similarity	NPD4363	Phase 3
0.6763	Remote Similarity	NPD9494	Approved
0.676	Remote Similarity	NPD5406	Approved
0.676	Remote Similarity	NPD6099	Approved
0.676	Remote Similarity	NPD6100	Approved
0.676	Remote Similarity	NPD5405	Approved
0.676	Remote Similarity	NPD5408	Approved
0.676	Remote Similarity	NPD5404	Approved
0.6743	Remote Similarity	NPD4907	Clinical (unspecified phase)
0.674	Remote Similarity	NPD2800	Approved
0.6736	Remote Similarity	NPD7229	Phase 3
0.6733	Remote Similarity	NPD4287	Approved

Structure

NPC475179 OpenBabel07101718272D 70 76 0 0 1 0 0 0 0 0999 V2000 6.9282 -9.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0622 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 5.0000 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 -3.4641 -0.0000 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 7.7942 -5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 3.0000 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 -5.1962 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6603 -6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0622 -2.5000 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 0.8660 4.5000 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 6.9282 -7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9282 -4.0000 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 2.5981 4.5000 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 -3.4641 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9282 -6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 3.5000 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 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6603 -7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1962 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7942 -7.5000 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 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0622 -4.5000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.8660 0.5000 0.0000 C 0 0 2 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 0.8660 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0622 -5.5000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.8660 1.5000 0.0000 C 0 0 2 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 -0.8660 1.5000 0.0000 C 0 0 2 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 -0.0000 2.0000 0.0000 C 0 0 1 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 -0.8660 0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9282 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1962 3.0000 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 -5.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5263 -7.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1962 -6.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7942 -8.5000 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 2.5981 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1962 -4.0000 0.0000 O 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 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 63 1 0 0 0 0 2 64 1 0 0 0 0 3 11 1 0 0 0 0 3 25 2 0 0 0 0 4 12 2 0 0 0 0 4 25 1 0 0 0 0 5 16 2 0 0 0 0 5 26 1 0 0 0 0 6 18 2 0 0 0 0 6 25 1 0 0 0 0 7 17 2 0 0 0 0 7 26 1 0 0 0 0 8 13 1 0 0 0 0 8 27 2 0 0 0 0 9 14 2 0 0 0 0 9 27 1 0 0 0 0 10 15 2 0 0 0 0 10 28 1 0 0 0 0 11 29 2 0 0 0 0 12 29 1 0 0 0 0 13 30 2 0 0 0 0 14 30 1 0 0 0 0 15 32 1 0 0 0 0 16 34 1 0 0 0 0 17 40 1 0 0 0 0 18 41 1 0 0 0 0 19 26 2 0 0 0 0 19 36 1 0 0 0 0 20 28 2 0 0 0 0 20 35 1 0 0 0 0 21 31 2 0 0 0 0 21 33 1 0 0 0 0 22 31 1 0 0 0 0 22 37 2 0 0 0 0 23 38 1 0 0 0 0 23 51 1 0 0 0 0 24 65 1 0 0 0 0 27 47 1 0 0 0 0 28 43 1 0 0 0 0 29 52 1 0 0 0 0 30 53 1 0 0 0 0 31 54 1 0 0 0 0 32 35 2 0 0 0 0 32 55 1 0 0 0 0 33 42 2 0 0 0 0 33 56 1 0 0 0 0 34 36 2 0 0 0 0 34 66 1 0 0 0 0 35 63 1 0 0 0 0 36 64 1 0 0 0 0 37 42 1 0 0 0 0 37 67 1 0 0 0 0 38 43 1 0 0 0 0 38 66 1 0 0 0 0 39 24 1 1 0 0 0 39 44 1 0 0 0 0 39 68 1 0 0 0 0 40 57 2 0 0 0 0 40 65 1 0 0 0 0 41 58 2 0 0 0 0 41 69 1 0 0 0 0 42 45 1 0 0 0 0 43 59 1 0 0 0 0 44 48 1 0 0 0 0 44 60 1 6 0 0 0 45 49 1 0 0 0 0 45 61 2 0 0 0 0 46 48 1 0 0 0 0 46 50 1 0 0 0 0 46 62 1 6 0 0 0 47 49 2 0 0 0 0 47 67 1 0 0 0 0 48 69 1 1 0 0 0 49 70 1 0 0 0 0 50 68 1 0 0 0 0 50 70 1 1 0 0 0 M END $$$$

External Identifiers

PubChem CID	10724604
ChEMBL	CHEMBL500228
ZINC

Physicochemical Properties

Molecular Weight:	966.26
ALogP:	-5.1593
MLogP:	4.76
XLogP:	3.693
# Rotatable Bonds:	30
Polar Surface Area:	307.12
# H-Bond Aceptor:	11
# H-Bond Donor:	9
# Rings:	7
# Heavy Atoms:	70

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