NPASS Natural Product

Natural Product: NPC52623

Natural Product ID:	NPC52623
Common Name:	Glaziovianin A
IUPAC Name:	3-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-6,7-dimethoxychromen-4-one
Synonyms:
Molecular Formula:	C20H18O8
Standard InCHIKey:	GUSKXWBKZXULSP-UHFFFAOYSA-N
Standard InCHI:	InChI=1S/C20H18O8/c1-22-14-6-11-13(7-15(14)23-2)26-8-12(17(11)21)10-5-16(24-3)19-20(18(10)25-4)28-9-27-19/h5-8H,9H2,1-4H3
Canonical SMILES:	COc1cc2c(cc1OC)occ(c2=O)c1cc(OC)c2c(c1OC)OCO2
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
NPO32819	ateleia glazioviana	Species	Fabaceae	Eukaryota	Leaves			PMID[17428663]

Biological Activity

Activity Type	# Activity
GI50	39
IC50	3

Activity Type	# Activity
Cell Line	34
Others	8

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT390	Cell Line	LOX IMVI	Homo sapiens	GI50	=	870	nM	25316316
NPT116	Cell Line	HL-60	Homo sapiens	IC50	=	290	nM	25695368
NPT374	Cell Line	SF-539	Homo sapiens	GI50	=	320	nM	12398546
NPT2	Others	Unspecified		IC50	=	590	nM	16441084
NPT377	Cell Line	OVCAR-3	Homo sapiens	GI50	=	130	nM	19081259
NPT382	Cell Line	OVCAR-5	Homo sapiens	GI50	=	2190	nM	3210015
NPT2	Others	Unspecified		IC50	=	590	nM	21036050
NPT90	Cell Line	DU-145	Homo sapiens	GI50	=	590	nM	26900657
NPT306	Cell Line	PC-3	Homo sapiens	GI50	=	100	nM	26900657
NPT2	Others	Unspecified		GI50	=	510	nM	26900657
NPT2722	Cell Line	St-4	Homo sapiens	GI50	=	15140	nM	26920799
NPT2	Others	Unspecified		GI50	=	690	nM	26920799
NPT2398	Cell Line	MKN-7	Homo sapiens	GI50	=	1510	nM	26920799
NPT1179	Cell Line	MKN-28	Homo sapiens	GI50	=	450	nM	26920799
NPT1097	Cell Line	MKN-45	Homo sapiens	GI50	=	680	nM	26920799
NPT2723	Cell Line	MKN-74	Homo sapiens	GI50	=	390	nM	26920799
NPT83	Cell Line	MCF7	Homo sapiens	GI50	=	390	nM	19966789
NPT2	Others	Unspecified		GI50	=	50	nM	15679323
NPT397	Cell Line	NCI-H460	Homo sapiens	GI50	=	410	nM	19576785
NPT370	Cell Line	NCI-H23	Homo sapiens	GI50	=	5130	nM	19655762
NPT2	Others	Unspecified		GI50	=	580	nM	19655762
NPT455	Cell Line	NCI-H522	Homo sapiens	GI50	=	230	nM	19655762
NPT369	Cell Line	ACHN	Homo sapiens	GI50	=	620	nM	22409377
NPT146	Cell Line	SK-OV-3	Homo sapiens	GI50	=	280	nM	26231157
NPT381	Cell Line	OVCAR-8	Homo sapiens	GI50	=	1510	nM	26231157
NPT386	Cell Line	KM12	Homo sapiens	GI50	=	320	nM	8691203
NPT148	Cell Line	HCT-15	Homo sapiens	GI50	=	290	nM	8691203
NPT393	Cell Line	HCT-116	Homo sapiens	GI50	=	560	nM	8691203
NPT81	Cell Line	A549	Homo sapiens	GI50	=	830	nM	PubChem BioAssay data set
NPT572	Cell Line	DMS-273	Homo sapiens	GI50	=	130	nM	PubChem BioAssay data set
NPT395	Cell Line	SF-268	Homo sapiens	GI50	=	830	nM	17371812
NPT2	Others	Unspecified		GI50	=	1950	nM	17403996
NPT2	Others	Unspecified		GI50	=	470	nM	21930377
NPT380	Cell Line	U-251	Homo sapiens	GI50	=	790	nM	22377672
NPT576	Cell Line	DMS-114	Homo sapiens	GI50	=	200	nM	15568791
NPT392	Cell Line	SNB-75	Homo sapiens	GI50	=	630	nM	8277309
NPT391	Cell Line	HCC 2998	Homo sapiens	GI50	=	3020	nM	8277309
NPT578	Cell Line	SNB-78	Homo sapiens	GI50	=	10720	nM	10869194
NPT399	Cell Line	SF-295	Homo sapiens	GI50	=	340	nM	17993275
NPT456	Cell Line	OVCAR-4	Homo sapiens	GI50	=	10470	nM	11087599
NPT82	Cell Line	MDA-MB-231	Homo sapiens	GI50	=	1100	nM	22304344
NPT139	Cell Line	HT-29	Homo sapiens	GI50	=	460	nM	25856683

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 NPC52623 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	333
0.1-0.2	1325
0.2-0.3	2718
0.3-0.4	6811
0.4-0.5	6433
0.5-0.6	2717
0.6-0.7	4092
0.7-0.8	4684
0.8-0.85	1389
0.85-0.9	338
0.9-0.95	43
0.95-1	6

Similarity Score	Similarity Level	Natural Product ID
0.9932	High Similarity	NPC57211
0.9931	High Similarity	NPC279061
0.9796	High Similarity	NPC478213
0.973	High Similarity	NPC478238
0.9728	High Similarity	NPC153008
0.9728	High Similarity	NPC148497
0.947	High Similarity	NPC167595
0.9448	High Similarity	NPC182842
0.9408	High Similarity	NPC215375
0.9408	High Similarity	NPC62518
0.9351	High Similarity	NPC18284
0.9351	High Similarity	NPC273021
0.9342	High Similarity	NPC258644
0.9333	High Similarity	NPC292460
0.9333	High Similarity	NPC68882
0.932	High Similarity	NPC195919
0.932	High Similarity	NPC216314
0.932	High Similarity	NPC120924
0.9286	High Similarity	NPC295009
0.9286	High Similarity	NPC260640
0.9281	High Similarity	NPC257914
0.9281	High Similarity	NPC104459
0.9281	High Similarity	NPC238405
0.9272	High Similarity	NPC244371
0.9252	High Similarity	NPC296575
0.9252	High Similarity	NPC224687
0.9221	High Similarity	NPC285973
0.9221	High Similarity	NPC225624
0.9122	High Similarity	NPC165512
0.9103	High Similarity	NPC478199
0.9097	High Similarity	NPC131557
0.9091	High Similarity	NPC310206
0.9085	High Similarity	NPC284353
0.9079	High Similarity	NPC35544
0.9079	High Similarity	NPC104728
0.9073	High Similarity	NPC239363
0.906	High Similarity	NPC283002
0.906	High Similarity	NPC302408
0.9051	High Similarity	NPC113093
0.9048	High Similarity	NPC185607
0.9038	High Similarity	NPC34376
0.9032	High Similarity	NPC113055
0.9026	High Similarity	NPC155063
0.902	High Similarity	NPC186507
0.902	High Similarity	NPC250557
0.902	High Similarity	NPC279930
0.9013	High Similarity	NPC262623
0.9	High Similarity	NPC205522
0.9	High Similarity	NPC85233
0.8994	High Similarity	NPC135345
0.8986	High Similarity	NPC476054
0.8981	High Similarity	NPC469575
0.898	High Similarity	NPC58229
0.8968	High Similarity	NPC19097
0.8947	High Similarity	NPC234152
0.8947	High Similarity	NPC29056
0.8947	High Similarity	NPC156953
0.894	High Similarity	NPC10304
0.894	High Similarity	NPC63256
0.8933	High Similarity	NPC110639
0.8933	High Similarity	NPC106461
0.8933	High Similarity	NPC14958
0.8933	High Similarity	NPC215932
0.8933	High Similarity	NPC40818
0.8903	High Similarity	NPC301897
0.8896	High Similarity	NPC124714
0.8896	High Similarity	NPC280937
0.8896	High Similarity	NPC257714
0.8896	High Similarity	NPC128961
0.8889	High Similarity	NPC288316
0.8889	High Similarity	NPC198615
0.8889	High Similarity	NPC220577
0.8889	High Similarity	NPC474663
0.8889	High Similarity	NPC19980
0.8889	High Similarity	NPC104353
0.8889	High Similarity	NPC45291
0.8882	High Similarity	NPC224462
0.8882	High Similarity	NPC105511
0.8882	High Similarity	NPC181250
0.8882	High Similarity	NPC238366
0.8875	High Similarity	NPC76482
0.8867	High Similarity	NPC471590
0.8867	High Similarity	NPC136278
0.8861	High Similarity	NPC302741
0.8846	High Similarity	NPC474990
0.8846	High Similarity	NPC78103
0.8839	High Similarity	NPC134287
0.8839	High Similarity	NPC130589
0.8831	High Similarity	NPC209487
0.8831	High Similarity	NPC269451
0.8831	High Similarity	NPC131266
0.8831	High Similarity	NPC35763
0.8831	High Similarity	NPC181209
0.8831	High Similarity	NPC38469
0.8831	High Similarity	NPC100971
0.8831	High Similarity	NPC121522
0.8831	High Similarity	NPC245382
0.8831	High Similarity	NPC166201
0.8831	High Similarity	NPC291802
0.8831	High Similarity	NPC216769
0.8831	High Similarity	NPC100263
0.8828	High Similarity	NPC143649
0.8827	High Similarity	NPC223375
0.8827	High Similarity	NPC475155
0.8827	High Similarity	NPC475825
0.8827	High Similarity	NPC205076
0.8827	High Similarity	NPC48773
0.8827	High Similarity	NPC307518
0.8824	High Similarity	NPC259058
0.8824	High Similarity	NPC201547
0.882	High Similarity	NPC183036
0.8816	High Similarity	NPC476058
0.8808	High Similarity	NPC231013
0.8805	High Similarity	NPC470178
0.88	High Similarity	NPC23955
0.88	High Similarity	NPC113089
0.8797	High Similarity	NPC162668
0.8797	High Similarity	NPC94155
0.8792	High Similarity	NPC29536
0.879	High Similarity	NPC325122
0.8782	High Similarity	NPC180340
0.8776	High Similarity	NPC44573
0.8774	High Similarity	NPC472408
0.8773	High Similarity	NPC72455
0.8765	High Similarity	NPC474434
0.8765	High Similarity	NPC44558
0.8765	High Similarity	NPC212748
0.8758	High Similarity	NPC93099
0.8758	High Similarity	NPC69752
0.875	High Similarity	NPC119660
0.875	High Similarity	NPC187923
0.875	High Similarity	NPC93034
0.875	High Similarity	NPC474999
0.8742	High Similarity	NPC61141
0.8742	High Similarity	NPC81679
0.8742	High Similarity	NPC213482
0.8742	High Similarity	NPC125991
0.8734	High Similarity	NPC110349
0.8734	High Similarity	NPC269906
0.8734	High Similarity	NPC298093
0.8733	High Similarity	NPC70853
0.8733	High Similarity	NPC9966
0.8727	High Similarity	NPC67302
0.872	High Similarity	NPC472607
0.8718	High Similarity	NPC276059
0.8718	High Similarity	NPC241774
0.8718	High Similarity	NPC122623
0.8718	High Similarity	NPC208197
0.8718	High Similarity	NPC34725
0.8718	High Similarity	NPC18954
0.8718	High Similarity	NPC39184
0.8712	High Similarity	NPC235575
0.871	High Similarity	NPC477962
0.871	High Similarity	NPC477961
0.871	High Similarity	NPC134677
0.871	High Similarity	NPC477960
0.8704	High Similarity	NPC471287
0.8704	High Similarity	NPC105025
0.8704	High Similarity	NPC472381
0.8704	High Similarity	NPC210042
0.8704	High Similarity	NPC201292
0.8704	High Similarity	NPC58053
0.8704	High Similarity	NPC226294
0.8704	High Similarity	NPC211309
0.8704	High Similarity	NPC469931
0.8704	High Similarity	NPC186807
0.8704	High Similarity	NPC41853
0.8704	High Similarity	NPC472383
0.8704	High Similarity	NPC45638
0.8704	High Similarity	NPC93337
0.8704	High Similarity	NPC95855
0.8704	High Similarity	NPC475942
0.8701	High Similarity	NPC216917
0.8701	High Similarity	NPC10467
0.8693	High Similarity	NPC183236
0.8688	High Similarity	NPC65846
0.8688	High Similarity	NPC94777
0.8684	High Similarity	NPC24257
0.8684	High Similarity	NPC88345
0.8684	High Similarity	NPC153620
0.8684	High Similarity	NPC12377
0.8679	High Similarity	NPC182045
0.8679	High Similarity	NPC209411
0.8679	High Similarity	NPC239890
0.8675	High Similarity	NPC293201
0.8667	High Similarity	NPC156635
0.8667	High Similarity	NPC214919
0.8667	High Similarity	NPC124467
0.8662	High Similarity	NPC257277
0.8654	High Similarity	NPC250822
0.8654	High Similarity	NPC75279
0.8654	High Similarity	NPC472915
0.8654	High Similarity	NPC471981
0.8654	High Similarity	NPC276409
0.865	High Similarity	NPC34287
0.865	High Similarity	NPC22195
0.865	High Similarity	NPC21190
0.865	High Similarity	NPC471416
0.865	High Similarity	NPC183357
0.865	High Similarity	NPC194483

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC52623 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	328
0.1-0.2	932
0.2-0.3	1754
0.3-0.4	2800
0.4-0.5	1902
0.5-0.6	945
0.6-0.7	358
0.7-0.8	117
0.8-0.85	21
0.85-0.9	4
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.8875	High Similarity	NPD3818	Discontinued
0.8874	High Similarity	NPD6980	Clinical (unspecified phase)
0.8734	High Similarity	NPD5494	Approved
0.8535	High Similarity	NPD2801	Approved
0.8481	Intermediate Similarity	NPD3817	Phase 2
0.8383	Intermediate Similarity	NPD4338	Clinical (unspecified phase)
0.8364	Intermediate Similarity	NPD7054	Approved
0.8333	Intermediate Similarity	NPD1247	Approved
0.8313	Intermediate Similarity	NPD7074	Phase 3
0.8313	Intermediate Similarity	NPD7472	Approved
0.8313	Intermediate Similarity	NPD3882	Suspended
0.8261	Intermediate Similarity	NPD4381	Clinical (unspecified phase)
0.8239	Intermediate Similarity	NPD1934	Approved
0.8212	Intermediate Similarity	NPD2796	Approved
0.8166	Intermediate Similarity	NPD7808	Phase 3
0.8155	Intermediate Similarity	NPD6797	Phase 2
0.8121	Intermediate Similarity	NPD3926	Phase 2
0.8107	Intermediate Similarity	NPD7251	Discontinued
0.8098	Intermediate Similarity	NPD919	Approved
0.8075	Intermediate Similarity	NPD2393	Clinical (unspecified phase)
0.8061	Intermediate Similarity	NPD6232	Discontinued
0.8026	Intermediate Similarity	NPD1510	Phase 2
0.8024	Intermediate Similarity	NPD7473	Discontinued
0.8012	Intermediate Similarity	NPD37	Approved
0.8	Intermediate Similarity	NPD4380	Phase 2
0.7975	Intermediate Similarity	NPD4868	Clinical (unspecified phase)
0.7964	Intermediate Similarity	NPD6167	Clinical (unspecified phase)
0.7964	Intermediate Similarity	NPD6168	Clinical (unspecified phase)
0.7964	Intermediate Similarity	NPD6166	Phase 2
0.7962	Intermediate Similarity	NPD1511	Approved
0.7925	Intermediate Similarity	NPD920	Approved
0.7914	Intermediate Similarity	NPD5402	Approved
0.7901	Intermediate Similarity	NPD6801	Discontinued
0.7895	Intermediate Similarity	NPD6559	Discontinued
0.7866	Intermediate Similarity	NPD4965	Approved
0.7866	Intermediate Similarity	NPD4967	Phase 2
0.7866	Intermediate Similarity	NPD4966	Approved
0.7862	Intermediate Similarity	NPD1512	Approved
0.7853	Intermediate Similarity	NPD7819	Suspended
0.7848	Intermediate Similarity	NPD6799	Approved
0.7848	Intermediate Similarity	NPD6143	Clinical (unspecified phase)
0.7824	Intermediate Similarity	NPD7804	Clinical (unspecified phase)
0.7799	Intermediate Similarity	NPD4378	Clinical (unspecified phase)
0.7784	Intermediate Similarity	NPD7199	Phase 2
0.7771	Intermediate Similarity	NPD6234	Discontinued
0.7763	Intermediate Similarity	NPD1240	Approved
0.7744	Intermediate Similarity	NPD7096	Clinical (unspecified phase)
0.7719	Intermediate Similarity	NPD5844	Phase 1
0.7712	Intermediate Similarity	NPD1933	Approved
0.7711	Intermediate Similarity	NPD7075	Discontinued
0.7707	Intermediate Similarity	NPD1243	Approved
0.7692	Intermediate Similarity	NPD7184	Clinical (unspecified phase)
0.7688	Intermediate Similarity	NPD642	Clinical (unspecified phase)
0.7669	Intermediate Similarity	NPD6599	Discontinued
0.7662	Intermediate Similarity	NPD1607	Approved
0.7658	Intermediate Similarity	NPD1878	Clinical (unspecified phase)
0.7643	Intermediate Similarity	NPD1549	Phase 2
0.7636	Intermediate Similarity	NPD1465	Phase 2
0.7628	Intermediate Similarity	NPD2935	Discontinued
0.7622	Intermediate Similarity	NPD7411	Suspended
0.7584	Intermediate Similarity	NPD8397	Clinical (unspecified phase)
0.758	Intermediate Similarity	NPD1550	Clinical (unspecified phase)
0.758	Intermediate Similarity	NPD1552	Clinical (unspecified phase)
0.7578	Intermediate Similarity	NPD2533	Approved
0.7578	Intermediate Similarity	NPD2534	Approved
0.7578	Intermediate Similarity	NPD7410	Clinical (unspecified phase)
0.7578	Intermediate Similarity	NPD2532	Approved
0.7562	Intermediate Similarity	NPD643	Clinical (unspecified phase)
0.7532	Intermediate Similarity	NPD970	Clinical (unspecified phase)
0.7532	Intermediate Similarity	NPD943	Approved
0.7529	Intermediate Similarity	NPD7993	Clinical (unspecified phase)
0.7514	Intermediate Similarity	NPD8055	Clinical (unspecified phase)
0.75	Intermediate Similarity	NPD7879	Clinical (unspecified phase)
0.7485	Intermediate Similarity	NPD5242	Approved
0.7485	Intermediate Similarity	NPD5403	Approved
0.7483	Intermediate Similarity	NPD2798	Approved
0.7471	Intermediate Similarity	NPD6959	Discontinued
0.7469	Intermediate Similarity	NPD5401	Approved
0.7457	Intermediate Similarity	NPD7228	Approved
0.7452	Intermediate Similarity	NPD3748	Approved
0.7439	Intermediate Similarity	NPD1653	Approved
0.7386	Intermediate Similarity	NPD7685	Pre-registration
0.7381	Intermediate Similarity	NPD5353	Approved
0.7381	Intermediate Similarity	NPD8443	Clinical (unspecified phase)
0.7375	Intermediate Similarity	NPD2654	Approved
0.7375	Intermediate Similarity	NPD2800	Approved
0.7372	Intermediate Similarity	NPD230	Phase 1
0.7326	Intermediate Similarity	NPD5005	Approved
0.7326	Intermediate Similarity	NPD5006	Approved
0.7305	Intermediate Similarity	NPD6386	Approved
0.7305	Intermediate Similarity	NPD6385	Approved
0.7294	Intermediate Similarity	NPD3749	Approved
0.7288	Intermediate Similarity	NPD7240	Approved
0.7273	Intermediate Similarity	NPD6832	Phase 2
0.7267	Intermediate Similarity	NPD3705	Approved
0.7261	Intermediate Similarity	NPD447	Suspended
0.7257	Intermediate Similarity	NPD3751	Discontinued
0.7241	Intermediate Similarity	NPD7852	Clinical (unspecified phase)
0.7241	Intermediate Similarity	NPD2403	Approved
0.7225	Intermediate Similarity	NPD3787	Discontinued
0.7222	Intermediate Similarity	NPD3750	Approved
0.7219	Intermediate Similarity	NPD6777	Approved
0.7219	Intermediate Similarity	NPD6780	Approved
0.7219	Intermediate Similarity	NPD6776	Approved
0.7219	Intermediate Similarity	NPD6778	Approved
0.7219	Intermediate Similarity	NPD6779	Approved
0.7219	Intermediate Similarity	NPD6782	Approved
0.7219	Intermediate Similarity	NPD6781	Approved
0.7215	Intermediate Similarity	NPD6651	Approved
0.7204	Intermediate Similarity	NPD4420	Approved
0.7186	Intermediate Similarity	NPD7458	Discontinued
0.7179	Intermediate Similarity	NPD6859	Clinical (unspecified phase)
0.7162	Intermediate Similarity	NPD5536	Phase 2
0.716	Intermediate Similarity	NPD7421	Clinical (unspecified phase)
0.7152	Intermediate Similarity	NPD1899	Clinical (unspecified phase)
0.7135	Intermediate Similarity	NPD7768	Phase 2
0.7125	Intermediate Similarity	NPD1509	Clinical (unspecified phase)
0.7115	Intermediate Similarity	NPD3027	Phase 3
0.7105	Intermediate Similarity	NPD7696	Phase 3
0.7105	Intermediate Similarity	NPD7698	Approved
0.7105	Intermediate Similarity	NPD7697	Approved
0.7105	Intermediate Similarity	NPD7435	Discontinued
0.7098	Intermediate Similarity	NPD8151	Discontinued
0.7097	Intermediate Similarity	NPD3018	Phase 2
0.7083	Intermediate Similarity	NPD3226	Approved
0.7081	Intermediate Similarity	NPD1551	Phase 2
0.7073	Intermediate Similarity	NPD6190	Approved
0.707	Intermediate Similarity	NPD2313	Discontinued
0.7068	Intermediate Similarity	NPD7870	Phase 2
0.7068	Intermediate Similarity	NPD7871	Phase 2
0.7039	Intermediate Similarity	NPD1547	Clinical (unspecified phase)
0.7039	Intermediate Similarity	NPD5953	Discontinued
0.7037	Intermediate Similarity	NPD2344	Approved
0.7037	Intermediate Similarity	NPD7501	Clinical (unspecified phase)
0.7029	Intermediate Similarity	NPD5710	Approved
0.7029	Intermediate Similarity	NPD5711	Approved
0.7022	Intermediate Similarity	NPD7286	Phase 2
0.7019	Intermediate Similarity	NPD2799	Discontinued
0.7019	Intermediate Similarity	NPD651	Clinical (unspecified phase)
0.7017	Intermediate Similarity	NPD8313	Approved
0.7017	Intermediate Similarity	NPD8312	Approved
0.7012	Intermediate Similarity	NPD4628	Phase 3
0.6995	Remote Similarity	NPD8434	Phase 2
0.6993	Remote Similarity	NPD2981	Phase 2
0.6993	Remote Similarity	NPD3972	Approved
0.6988	Remote Similarity	NPD7390	Discontinued
0.6987	Remote Similarity	NPD9494	Approved
0.6963	Remote Similarity	NPD6823	Phase 2
0.6961	Remote Similarity	NPD4419	Clinical (unspecified phase)
0.6959	Remote Similarity	NPD7701	Phase 2
0.6952	Remote Similarity	NPD6534	Approved
0.6952	Remote Similarity	NPD6535	Approved
0.6949	Remote Similarity	NPD7784	Clinical (unspecified phase)
0.6948	Remote Similarity	NPD2982	Phase 2
0.6948	Remote Similarity	NPD2983	Phase 2
0.6941	Remote Similarity	NPD7028	Phase 2
0.6936	Remote Similarity	NPD5019	Clinical (unspecified phase)
0.6933	Remote Similarity	NPD2346	Discontinued
0.6907	Remote Similarity	NPD7584	Approved
0.6888	Remote Similarity	NPD7875	Clinical (unspecified phase)
0.6888	Remote Similarity	NPD7874	Approved
0.6886	Remote Similarity	NPD4357	Discontinued
0.6885	Remote Similarity	NPD7090	Clinical (unspecified phase)
0.6879	Remote Similarity	NPD5977	Approved
0.6879	Remote Similarity	NPD5978	Approved
0.6879	Remote Similarity	NPD1530	Clinical (unspecified phase)
0.6875	Remote Similarity	NPD1612	Clinical (unspecified phase)
0.6875	Remote Similarity	NPD1613	Approved
0.6867	Remote Similarity	NPD2309	Approved
0.686	Remote Similarity	NPD6844	Discontinued
0.6857	Remote Similarity	NPD5537	Clinical (unspecified phase)
0.6853	Remote Similarity	NPD7801	Approved
0.6842	Remote Similarity	NPD9268	Approved
0.6842	Remote Similarity	NPD7699	Phase 2
0.6842	Remote Similarity	NPD7700	Phase 2
0.6839	Remote Similarity	NPD4379	Clinical (unspecified phase)
0.6836	Remote Similarity	NPD7229	Phase 3
0.6835	Remote Similarity	NPD1529	Clinical (unspecified phase)
0.6829	Remote Similarity	NPD7266	Discontinued
0.6829	Remote Similarity	NPD1471	Phase 3
0.681	Remote Similarity	NPD7033	Discontinued
0.6795	Remote Similarity	NPD1876	Approved
0.6779	Remote Similarity	NPD5283	Phase 1
0.6778	Remote Similarity	NPD7893	Clinical (unspecified phase)
0.6774	Remote Similarity	NPD9269	Phase 2
0.677	Remote Similarity	NPD4307	Phase 2
0.6768	Remote Similarity	NPD6100	Approved
0.6768	Remote Similarity	NPD7783	Phase 2
0.6768	Remote Similarity	NPD7782	Clinical (unspecified phase)
0.6768	Remote Similarity	NPD6099	Approved
0.6763	Remote Similarity	NPD6280	Approved
0.6763	Remote Similarity	NPD6279	Approved
0.6752	Remote Similarity	NPD3267	Approved
0.6752	Remote Similarity	NPD3266	Approved
0.6746	Remote Similarity	NPD7422	Clinical (unspecified phase)
0.6742	Remote Similarity	NPD6808	Phase 2
0.6724	Remote Similarity	NPD8455	Phase 2
0.672	Remote Similarity	NPD8150	Discontinued
0.672	Remote Similarity	NPD6212	Phase 3
0.672	Remote Similarity	NPD6214	Clinical (unspecified phase)

Structure

NPC52623 OpenBabel07101718182D 28 31 0 0 0 0 0 0 0 0999 V2000 -8.7453 0.1910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7453 1.1910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6831 -3.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9511 1.6910 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 -6.1472 -0.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1472 1.6910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5491 1.1910 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 -0.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2812 0.1910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5491 0.1910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2812 1.1910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0132 0.1910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0132 1.1910 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 -0.3090 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 -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 -4.4152 -1.3090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.8793 -0.3090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.8793 1.6910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8171 -2.8090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8171 1.1910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4152 1.6910 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 22 1 0 0 0 0 2 23 1 0 0 0 0 3 24 1 0 0 0 0 4 25 1 0 0 0 0 5 10 2 0 0 0 0 5 16 1 0 0 0 0 6 11 2 0 0 0 0 6 14 1 0 0 0 0 7 13 2 0 0 0 0 7 15 1 0 0 0 0 8 12 2 0 0 0 0 8 26 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 12 1 0 0 0 0 10 18 1 0 0 0 0 11 13 1 0 0 0 0 11 17 1 0 0 0 0 12 17 1 0 0 0 0 13 26 1 0 0 0 0 14 15 2 0 0 0 0 14 22 1 0 0 0 0 15 23 1 0 0 0 0 16 19 2 0 0 0 0 16 24 1 0 0 0 0 17 21 2 0 0 0 0 18 20 2 0 0 0 0 18 25 1 0 0 0 0 19 20 1 0 0 0 0 19 27 1 0 0 0 0 20 28 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	16747686
ChEMBL	CHEMBL234716
ZINC

Physicochemical Properties

Molecular Weight:	386.10
ALogP:	-1.1766
MLogP:	2.78
XLogP:	1.664
# Rotatable Bonds:	9
Polar Surface Area:	81.68
# H-Bond Aceptor:	1
# H-Bond Donor:	0
# Rings:	4
# Heavy Atoms:	28

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