NPASS Natural Product

Natural Product: NPC279061

Natural Product ID:	NPC279061
Common Name:	6,7-Dimethoxy-3-(6-Methoxy-1,3-Benzodioxol-5-Yl)Chromen-4-One
IUPAC Name:	6,7-dimethoxy-3-(6-methoxy-1,3-benzodioxol-5-yl)chromen-4-one
Synonyms:
Molecular Formula:	C19H16O7
Standard InCHIKey:	INHRJYBOMHQVBR-UHFFFAOYSA-N
Standard InCHI:	InChI=1S/C19H16O7/c1-21-13-6-18-17(25-9-26-18)4-10(13)12-8-24-14-7-16(23-3)15(22-2)5-11(14)19(12)20/h4-8H,9H2,1-3H3
Canonical SMILES:	COc1cc2c(cc1OC)occ(c2=O)c1cc2OCOc2cc1OC
First Find Year:
Max Developmental Stage:
Synthetic Gene Cluster:	;

Species Source

Organism ID	Organism Name	Taxonomy Level	Family	SuperKingdom	Isolation Part	Reference
NPO24368	Helianthus gracilentus	Species	Asteraceae	Eukaryota		UNPD*
NPO32819	ateleia glazioviana	Species	Fabaceae	Eukaryota	Leaves	PMID[17428663]
NPO23130	Arctostaphylos pumila	Species	Ericaceae	Eukaryota		UNPD*
NPO20737	Centaurium cachanlahuen	Species	Gentianaceae	Eukaryota		UNPD*
NPO24228	Catocarpus oreites	NA	NA	NA		UNPD*
NPO3184	Circinaria calcarea	Species	Megasporaceae	Eukaryota		UNPD*
NPO20784	Hibiscus mutabilis	Species	Malvaceae	Eukaryota		UNPD*
NPO20031	Erythrina velutina	Species	Fabaceae	Eukaryota		UNPD*
NPO23747	Mildbraediodendron excelsa	Species	Fabaceae	Eukaryota		UNPD*
NPO23373	Ulmus macrocarpa	Species	Ulmaceae	Eukaryota		UNPD*
NPO23419	Callitropsis araucarioides	Species	Cupressaceae	Eukaryota		UNPD*
NPO24194	Baccharis intermixta	Species	Asteraceae	Eukaryota		UNPD*
NPO3328	Eucalyptus mckieana	Species	Myrtaceae	Eukaryota		UNPD*
NPO24017	Zieria aspalathoides	Species	Rutaceae	Eukaryota		UNPD*
NPO21576	Astropecten aurantiacus	Species	Astropectinidae	Eukaryota		UNPD*
NPO22850	Gelasinospora longispora	Species	Sordariaceae	Eukaryota		UNPD*
NPO22341	Brunsvigia rosea	Species	Amaryllidaceae	Eukaryota		UNPD*
NPO23137	Ulex nanus	Species	Fabaceae	Eukaryota		UNPD*
NPO26284	Actaea yunnanensis	Species	Ranunculaceae	Eukaryota		UNPD*
NPO20717	Pterodon pubescens	Species	Fabaceae	Eukaryota		UNPD*

Biological Activity

Activity Type	# Activity
IC50	1

Activity Type	# Activity
Cell Line	1

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT116	Cell Line	HL-60	Homo sapiens	IC50	=	16000	nM	17428663

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 NPC279061 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	320
0.1-0.2	1340
0.2-0.3	2665
0.3-0.4	6827
0.4-0.5	6489
0.5-0.6	2633
0.6-0.7	4137
0.7-0.8	4706
0.8-0.85	1359
0.85-0.9	361
0.9-0.95	44
0.95-1	8

Similarity Score	Similarity Level	Natural Product ID
0.9931	High Similarity	NPC52623
0.9863	High Similarity	NPC478213
0.9863	High Similarity	NPC57211
0.9796	High Similarity	NPC478238
0.9795	High Similarity	NPC153008
0.9795	High Similarity	NPC148497
0.9533	High Similarity	NPC167595
0.9514	High Similarity	NPC182842
0.947	High Similarity	NPC62518
0.947	High Similarity	NPC215375
0.9412	High Similarity	NPC18284
0.9412	High Similarity	NPC273021
0.9404	High Similarity	NPC258644
0.9396	High Similarity	NPC292460
0.9396	High Similarity	NPC68882
0.9384	High Similarity	NPC216314
0.9384	High Similarity	NPC120924
0.9384	High Similarity	NPC195919
0.9346	High Similarity	NPC260640
0.9346	High Similarity	NPC295009
0.9333	High Similarity	NPC244371
0.9315	High Similarity	NPC224687
0.9315	High Similarity	NPC296575
0.9281	High Similarity	NPC225624
0.9281	High Similarity	NPC285973
0.9216	High Similarity	NPC257914
0.9216	High Similarity	NPC104459
0.9216	High Similarity	NPC238405
0.9161	High Similarity	NPC478199
0.915	High Similarity	NPC310206
0.9145	High Similarity	NPC284353
0.9139	High Similarity	NPC104728
0.9139	High Similarity	NPC35544
0.9133	High Similarity	NPC239363
0.911	High Similarity	NPC185607
0.9097	High Similarity	NPC34376
0.9091	High Similarity	NPC113055
0.9085	High Similarity	NPC155063
0.9079	High Similarity	NPC186507
0.9079	High Similarity	NPC279930
0.9073	High Similarity	NPC262623
0.906	High Similarity	NPC205522
0.9054	High Similarity	NPC165512
0.9048	High Similarity	NPC476054
0.9041	High Similarity	NPC58229
0.9038	High Similarity	NPC469575
0.9032	High Similarity	NPC131557
0.9026	High Similarity	NPC19097
0.9007	High Similarity	NPC156953
0.9007	High Similarity	NPC234152
0.9	High Similarity	NPC10304
0.9	High Similarity	NPC63256
0.8993	High Similarity	NPC283002
0.8993	High Similarity	NPC14958
0.8993	High Similarity	NPC215932
0.8993	High Similarity	NPC302408
0.8993	High Similarity	NPC110639
0.8993	High Similarity	NPC106461
0.8993	High Similarity	NPC40818
0.8987	High Similarity	NPC113093
0.8961	High Similarity	NPC301897
0.8954	High Similarity	NPC124714
0.8954	High Similarity	NPC280937
0.8954	High Similarity	NPC128961
0.8954	High Similarity	NPC250557
0.8947	High Similarity	NPC288316
0.8947	High Similarity	NPC19980
0.8947	High Similarity	NPC45291
0.8947	High Similarity	NPC220577
0.894	High Similarity	NPC238366
0.8933	High Similarity	NPC85233
0.8931	High Similarity	NPC135345
0.8926	High Similarity	NPC471590
0.8926	High Similarity	NPC136278
0.8917	High Similarity	NPC302741
0.8903	High Similarity	NPC474990
0.8896	High Similarity	NPC134287
0.8896	High Similarity	NPC130589
0.8889	High Similarity	NPC100971
0.8889	High Similarity	NPC121522
0.8889	High Similarity	NPC181209
0.8889	High Similarity	NPC35763
0.8889	High Similarity	NPC143649
0.8889	High Similarity	NPC291802
0.8889	High Similarity	NPC38469
0.8889	High Similarity	NPC245382
0.8889	High Similarity	NPC209487
0.8889	High Similarity	NPC269451
0.8889	High Similarity	NPC216769
0.8889	High Similarity	NPC100263
0.8889	High Similarity	NPC166201
0.8889	High Similarity	NPC131266
0.8882	High Similarity	NPC223375
0.8882	High Similarity	NPC475825
0.8882	High Similarity	NPC29056
0.8874	High Similarity	NPC476058
0.8867	High Similarity	NPC231013
0.8861	High Similarity	NPC470178
0.8859	High Similarity	NPC113089
0.8859	High Similarity	NPC23955
0.8854	High Similarity	NPC94155
0.8854	High Similarity	NPC162668
0.8851	High Similarity	NPC29536
0.8839	High Similarity	NPC180340
0.8836	High Similarity	NPC44573
0.8834	High Similarity	NPC257714
0.8831	High Similarity	NPC472408
0.8827	High Similarity	NPC72455
0.8824	High Similarity	NPC104353
0.8824	High Similarity	NPC198615
0.8824	High Similarity	NPC474663
0.882	High Similarity	NPC105511
0.882	High Similarity	NPC224462
0.8816	High Similarity	NPC181250
0.8816	High Similarity	NPC69752
0.8812	High Similarity	NPC76482
0.8808	High Similarity	NPC119660
0.8808	High Similarity	NPC474999
0.8808	High Similarity	NPC93034
0.8805	High Similarity	NPC187923
0.8797	High Similarity	NPC125991
0.8797	High Similarity	NPC81679
0.8792	High Similarity	NPC9966
0.8792	High Similarity	NPC70853
0.879	High Similarity	NPC298093
0.879	High Similarity	NPC269906
0.8782	High Similarity	NPC78103
0.878	High Similarity	NPC67302
0.8774	High Similarity	NPC39184
0.8774	High Similarity	NPC18954
0.8765	High Similarity	NPC307518
0.8765	High Similarity	NPC205076
0.8765	High Similarity	NPC475155
0.8765	High Similarity	NPC48773
0.8758	High Similarity	NPC211309
0.8758	High Similarity	NPC41853
0.8758	High Similarity	NPC259058
0.8758	High Similarity	NPC201547
0.8758	High Similarity	NPC183036
0.8758	High Similarity	NPC471287
0.8758	High Similarity	NPC216917
0.8758	High Similarity	NPC10467
0.8742	High Similarity	NPC65846
0.8742	High Similarity	NPC153620
0.8742	High Similarity	NPC88345
0.8742	High Similarity	NPC12377
0.8742	High Similarity	NPC24257
0.8733	High Similarity	NPC293201
0.8726	High Similarity	NPC325122
0.8725	High Similarity	NPC124467
0.8725	High Similarity	NPC214919
0.872	High Similarity	NPC156635
0.871	High Similarity	NPC472915
0.871	High Similarity	NPC471981
0.8704	High Similarity	NPC44558
0.8704	High Similarity	NPC474434
0.8704	High Similarity	NPC212748
0.8701	High Similarity	NPC308451
0.8701	High Similarity	NPC208043
0.8701	High Similarity	NPC226973
0.8696	High Similarity	NPC167479
0.8696	High Similarity	NPC42892
0.8696	High Similarity	NPC93099
0.8693	High Similarity	NPC40290
0.8693	High Similarity	NPC200060
0.8693	High Similarity	NPC139293
0.8693	High Similarity	NPC195763
0.8693	High Similarity	NPC264550
0.8693	High Similarity	NPC142876
0.8693	High Similarity	NPC328119
0.8693	High Similarity	NPC264289
0.8693	High Similarity	NPC92722
0.8693	High Similarity	NPC69430
0.8693	High Similarity	NPC333691
0.8693	High Similarity	NPC102003
0.8684	High Similarity	NPC470511
0.8684	High Similarity	NPC299923
0.8684	High Similarity	NPC117463
0.8679	High Similarity	NPC61141
0.8675	High Similarity	NPC213482
0.8671	High Similarity	NPC110349
0.8662	High Similarity	NPC181960
0.8662	High Similarity	NPC476981
0.8659	High Similarity	NPC472607
0.8659	High Similarity	NPC66804
0.8654	High Similarity	NPC213622
0.8654	High Similarity	NPC208197
0.8654	High Similarity	NPC34725
0.8654	High Similarity	NPC241774
0.8654	High Similarity	NPC472909
0.8654	High Similarity	NPC122623
0.8654	High Similarity	NPC20830
0.8654	High Similarity	NPC276059
0.8654	High Similarity	NPC256612
0.8654	High Similarity	NPC37392
0.865	High Similarity	NPC235575
0.865	High Similarity	NPC475964
0.8645	High Similarity	NPC134677
0.8645	High Similarity	NPC477961
0.8645	High Similarity	NPC40033

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC279061 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	327
0.1-0.2	932
0.2-0.3	1721
0.3-0.4	2793
0.4-0.5	1905
0.5-0.6	973
0.6-0.7	369
0.7-0.8	118
0.8-0.85	19
0.85-0.9	4
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.8812	High Similarity	NPD3818	Discontinued
0.8808	High Similarity	NPD6980	Clinical (unspecified phase)
0.879	High Similarity	NPD5494	Approved
0.859	High Similarity	NPD2801	Approved
0.8418	Intermediate Similarity	NPD3817	Phase 2
0.8385	Intermediate Similarity	NPD1247	Approved
0.8365	Intermediate Similarity	NPD3882	Suspended
0.8323	Intermediate Similarity	NPD4338	Clinical (unspecified phase)
0.8303	Intermediate Similarity	NPD7054	Approved
0.8291	Intermediate Similarity	NPD1934	Approved
0.8267	Intermediate Similarity	NPD2796	Approved
0.8253	Intermediate Similarity	NPD7074	Phase 3
0.8253	Intermediate Similarity	NPD7472	Approved
0.8199	Intermediate Similarity	NPD4381	Clinical (unspecified phase)
0.8148	Intermediate Similarity	NPD919	Approved
0.8125	Intermediate Similarity	NPD2393	Clinical (unspecified phase)
0.8107	Intermediate Similarity	NPD7808	Phase 3
0.8095	Intermediate Similarity	NPD6797	Phase 2
0.8079	Intermediate Similarity	NPD1510	Phase 2
0.8061	Intermediate Similarity	NPD3926	Phase 2
0.8047	Intermediate Similarity	NPD7251	Discontinued
0.8013	Intermediate Similarity	NPD1511	Approved
0.8	Intermediate Similarity	NPD6232	Discontinued
0.7975	Intermediate Similarity	NPD920	Approved
0.7964	Intermediate Similarity	NPD7473	Discontinued
0.795	Intermediate Similarity	NPD37	Approved
0.7937	Intermediate Similarity	NPD4380	Phase 2
0.7914	Intermediate Similarity	NPD4868	Clinical (unspecified phase)
0.7911	Intermediate Similarity	NPD1512	Approved
0.7904	Intermediate Similarity	NPD6168	Clinical (unspecified phase)
0.7904	Intermediate Similarity	NPD6167	Clinical (unspecified phase)
0.7904	Intermediate Similarity	NPD6166	Phase 2
0.7898	Intermediate Similarity	NPD6799	Approved
0.7898	Intermediate Similarity	NPD6143	Clinical (unspecified phase)
0.7853	Intermediate Similarity	NPD5402	Approved
0.7848	Intermediate Similarity	NPD4378	Clinical (unspecified phase)
0.784	Intermediate Similarity	NPD6801	Discontinued
0.7836	Intermediate Similarity	NPD6559	Discontinued
0.7815	Intermediate Similarity	NPD1240	Approved
0.7805	Intermediate Similarity	NPD4965	Approved
0.7805	Intermediate Similarity	NPD4966	Approved
0.7805	Intermediate Similarity	NPD4967	Phase 2
0.7791	Intermediate Similarity	NPD7819	Suspended
0.7791	Intermediate Similarity	NPD7096	Clinical (unspecified phase)
0.7765	Intermediate Similarity	NPD5844	Phase 1
0.7765	Intermediate Similarity	NPD7804	Clinical (unspecified phase)
0.7763	Intermediate Similarity	NPD1933	Approved
0.7756	Intermediate Similarity	NPD1243	Approved
0.7736	Intermediate Similarity	NPD642	Clinical (unspecified phase)
0.7725	Intermediate Similarity	NPD7199	Phase 2
0.7716	Intermediate Similarity	NPD6599	Discontinued
0.7712	Intermediate Similarity	NPD1607	Approved
0.7711	Intermediate Similarity	NPD6234	Discontinued
0.7707	Intermediate Similarity	NPD1878	Clinical (unspecified phase)
0.7692	Intermediate Similarity	NPD1549	Phase 2
0.7677	Intermediate Similarity	NPD2935	Discontinued
0.7651	Intermediate Similarity	NPD7075	Discontinued
0.7633	Intermediate Similarity	NPD7184	Clinical (unspecified phase)
0.7628	Intermediate Similarity	NPD1550	Clinical (unspecified phase)
0.7628	Intermediate Similarity	NPD1552	Clinical (unspecified phase)
0.7625	Intermediate Similarity	NPD2533	Approved
0.7625	Intermediate Similarity	NPD2534	Approved
0.7625	Intermediate Similarity	NPD2532	Approved
0.761	Intermediate Similarity	NPD643	Clinical (unspecified phase)
0.7582	Intermediate Similarity	NPD943	Approved
0.758	Intermediate Similarity	NPD970	Clinical (unspecified phase)
0.7576	Intermediate Similarity	NPD1465	Phase 2
0.7561	Intermediate Similarity	NPD7411	Suspended
0.7533	Intermediate Similarity	NPD2798	Approved
0.7529	Intermediate Similarity	NPD5242	Approved
0.7528	Intermediate Similarity	NPD8397	Clinical (unspecified phase)
0.7516	Intermediate Similarity	NPD7410	Clinical (unspecified phase)
0.75	Intermediate Similarity	NPD3748	Approved
0.7471	Intermediate Similarity	NPD7993	Clinical (unspecified phase)
0.7458	Intermediate Similarity	NPD8055	Clinical (unspecified phase)
0.7444	Intermediate Similarity	NPD7879	Clinical (unspecified phase)
0.7425	Intermediate Similarity	NPD5353	Approved
0.7423	Intermediate Similarity	NPD5403	Approved
0.7421	Intermediate Similarity	NPD2654	Approved
0.7421	Intermediate Similarity	NPD2800	Approved
0.7419	Intermediate Similarity	NPD230	Phase 1
0.7412	Intermediate Similarity	NPD6959	Discontinued
0.7407	Intermediate Similarity	NPD5401	Approved
0.7399	Intermediate Similarity	NPD7228	Approved
0.7378	Intermediate Similarity	NPD1653	Approved
0.7366	Intermediate Similarity	NPD5005	Approved
0.7366	Intermediate Similarity	NPD5006	Approved
0.7349	Intermediate Similarity	NPD6385	Approved
0.7349	Intermediate Similarity	NPD6386	Approved
0.7337	Intermediate Similarity	NPD3749	Approved
0.733	Intermediate Similarity	NPD7685	Pre-registration
0.7321	Intermediate Similarity	NPD8443	Clinical (unspecified phase)
0.7315	Intermediate Similarity	NPD3705	Approved
0.7308	Intermediate Similarity	NPD447	Suspended
0.7299	Intermediate Similarity	NPD3751	Discontinued
0.7283	Intermediate Similarity	NPD2403	Approved
0.7267	Intermediate Similarity	NPD3750	Approved
0.7267	Intermediate Similarity	NPD3787	Discontinued
0.7243	Intermediate Similarity	NPD4420	Approved
0.7232	Intermediate Similarity	NPD7240	Approved
0.7229	Intermediate Similarity	NPD7458	Discontinued
0.7226	Intermediate Similarity	NPD6859	Clinical (unspecified phase)
0.7211	Intermediate Similarity	NPD5536	Phase 2
0.7208	Intermediate Similarity	NPD6832	Phase 2
0.7205	Intermediate Similarity	NPD7421	Clinical (unspecified phase)
0.7197	Intermediate Similarity	NPD1899	Clinical (unspecified phase)
0.7184	Intermediate Similarity	NPD7852	Clinical (unspecified phase)
0.7176	Intermediate Similarity	NPD7768	Phase 2
0.717	Intermediate Similarity	NPD1509	Clinical (unspecified phase)
0.7166	Intermediate Similarity	NPD6777	Approved
0.7166	Intermediate Similarity	NPD6780	Approved
0.7166	Intermediate Similarity	NPD6782	Approved
0.7166	Intermediate Similarity	NPD6776	Approved
0.7166	Intermediate Similarity	NPD6779	Approved
0.7166	Intermediate Similarity	NPD6778	Approved
0.7166	Intermediate Similarity	NPD6781	Approved
0.7161	Intermediate Similarity	NPD3027	Phase 3
0.7152	Intermediate Similarity	NPD6651	Approved
0.7125	Intermediate Similarity	NPD1551	Phase 2
0.7115	Intermediate Similarity	NPD2313	Discontinued
0.7086	Intermediate Similarity	NPD1547	Clinical (unspecified phase)
0.7081	Intermediate Similarity	NPD2344	Approved
0.7069	Intermediate Similarity	NPD5710	Approved
0.7069	Intermediate Similarity	NPD5711	Approved
0.7063	Intermediate Similarity	NPD651	Clinical (unspecified phase)
0.7063	Intermediate Similarity	NPD2799	Discontinued
0.7062	Intermediate Similarity	NPD7286	Phase 2
0.7055	Intermediate Similarity	NPD4628	Phase 3
0.7053	Intermediate Similarity	NPD7696	Phase 3
0.7053	Intermediate Similarity	NPD7697	Approved
0.7053	Intermediate Similarity	NPD7435	Discontinued
0.7053	Intermediate Similarity	NPD7698	Approved
0.7047	Intermediate Similarity	NPD8151	Discontinued
0.7039	Intermediate Similarity	NPD3972	Approved
0.7032	Intermediate Similarity	NPD3018	Phase 2
0.7032	Intermediate Similarity	NPD9494	Approved
0.7024	Intermediate Similarity	NPD3226	Approved
0.7016	Intermediate Similarity	NPD7870	Phase 2
0.7016	Intermediate Similarity	NPD7871	Phase 2
0.7012	Intermediate Similarity	NPD6190	Approved
0.7	Intermediate Similarity	NPD4419	Clinical (unspecified phase)
0.6984	Remote Similarity	NPD7501	Clinical (unspecified phase)
0.6983	Remote Similarity	NPD5953	Discontinued
0.6982	Remote Similarity	NPD7028	Phase 2
0.6977	Remote Similarity	NPD5019	Clinical (unspecified phase)
0.6975	Remote Similarity	NPD2346	Discontinued
0.6961	Remote Similarity	NPD8312	Approved
0.6961	Remote Similarity	NPD8313	Approved
0.694	Remote Similarity	NPD8434	Phase 2
0.6928	Remote Similarity	NPD7390	Discontinued
0.6928	Remote Similarity	NPD2981	Phase 2
0.6928	Remote Similarity	NPD4357	Discontinued
0.6923	Remote Similarity	NPD7090	Clinical (unspecified phase)
0.6923	Remote Similarity	NPD1530	Clinical (unspecified phase)
0.6919	Remote Similarity	NPD5978	Approved
0.6919	Remote Similarity	NPD5977	Approved
0.6918	Remote Similarity	NPD1613	Approved
0.6918	Remote Similarity	NPD1612	Clinical (unspecified phase)
0.6911	Remote Similarity	NPD6823	Phase 2
0.6909	Remote Similarity	NPD2309	Approved
0.6907	Remote Similarity	NPD7701	Phase 2
0.6901	Remote Similarity	NPD6844	Discontinued
0.6898	Remote Similarity	NPD6534	Approved
0.6898	Remote Similarity	NPD6535	Approved
0.6893	Remote Similarity	NPD7784	Clinical (unspecified phase)
0.6887	Remote Similarity	NPD9268	Approved
0.6883	Remote Similarity	NPD4379	Clinical (unspecified phase)
0.6883	Remote Similarity	NPD2983	Phase 2
0.6883	Remote Similarity	NPD2982	Phase 2
0.6879	Remote Similarity	NPD1529	Clinical (unspecified phase)
0.6875	Remote Similarity	NPD7229	Phase 3
0.6871	Remote Similarity	NPD1471	Phase 3
0.6856	Remote Similarity	NPD7584	Approved
0.6852	Remote Similarity	NPD7033	Discontinued
0.6839	Remote Similarity	NPD1876	Approved
0.6837	Remote Similarity	NPD7875	Clinical (unspecified phase)
0.6837	Remote Similarity	NPD7874	Approved
0.6824	Remote Similarity	NPD5283	Phase 1
0.6818	Remote Similarity	NPD9269	Phase 2
0.6816	Remote Similarity	NPD7893	Clinical (unspecified phase)
0.6813	Remote Similarity	NPD4307	Phase 2
0.681	Remote Similarity	NPD6099	Approved
0.681	Remote Similarity	NPD6100	Approved
0.6802	Remote Similarity	NPD6279	Approved
0.6802	Remote Similarity	NPD7801	Approved
0.6802	Remote Similarity	NPD6280	Approved
0.68	Remote Similarity	NPD5537	Clinical (unspecified phase)
0.6795	Remote Similarity	NPD3266	Approved
0.6795	Remote Similarity	NPD3267	Approved
0.6789	Remote Similarity	NPD7700	Phase 2
0.6789	Remote Similarity	NPD7699	Phase 2
0.678	Remote Similarity	NPD6808	Phase 2
0.6768	Remote Similarity	NPD7266	Discontinued
0.6752	Remote Similarity	NPD1019	Discontinued
0.6747	Remote Similarity	NPD6398	Clinical (unspecified phase)
0.6746	Remote Similarity	NPD1940	Clinical (unspecified phase)
0.6732	Remote Similarity	NPD17	Approved
0.6721	Remote Similarity	NPD7549	Discontinued
0.6717	Remote Similarity	NPD7782	Clinical (unspecified phase)
0.6717	Remote Similarity	NPD7783	Phase 2

Structure

CID279061 OpenBabel06191716082D 26 29 0 0 0 0 0 0 0 0999 V2000 3.5491 -1.1910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1472 6.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8793 4.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8171 1.8090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4152 4.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8171 -0.1910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1472 3.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4152 1.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5878 0.8090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6831 1.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4152 3.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5491 1.8090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6831 0.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2812 2.8090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2812 4.8090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1472 4.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9511 1.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9511 0.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5491 2.8090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6831 3.3090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5491 -0.1910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2812 5.8090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0132 4.8090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2812 1.8090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.6180 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 21 1 0 0 0 0 2 22 1 0 0 0 0 3 23 1 0 0 0 0 4 10 2 0 0 0 0 4 17 1 0 0 0 0 5 11 2 0 0 0 0 5 15 1 0 0 0 0 6 13 2 0 0 0 0 6 18 1 0 0 0 0 7 14 2 0 0 0 0 7 16 1 0 0 0 0 8 12 2 0 0 0 0 8 24 1 0 0 0 0 9 25 1 0 0 0 0 9 26 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 11 14 1 0 0 0 0 11 19 1 0 0 0 0 12 19 1 0 0 0 0 13 21 1 0 0 0 0 14 24 1 0 0 0 0 15 16 2 0 0 0 0 15 22 1 0 0 0 0 16 23 1 0 0 0 0 17 18 2 0 0 0 0 17 25 1 0 0 0 0 18 26 1 0 0 0 0 19 20 2 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	6728947
ChEMBL	CHEMBL234717
ZINC

Physicochemical Properties

Molecular Weight:	356.09
ALogP:	-1.1248
MLogP:	2.78
XLogP:	2.108
# Rotatable Bonds:	7
Polar Surface Area:	72.45
# H-Bond Aceptor:	1
# H-Bond Donor:	0
# Rings:	4
# Heavy Atoms:	26

Download Data

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