NPASS Natural Product

Natural Product: NPC267811

Natural Product ID:	NPC267811
Common Name:	Deoxytopsentin
IUPAC Name:	1H-indol-3-yl-[5-(1H-indol-3-yl)-1H-imidazol-2-yl]methanone
Synonyms:	Deoxytopsentin
Molecular Formula:	C20H14N4O
Standard InCHIKey:	OBDUUEITYHUFCW-UHFFFAOYSA-N
Standard InCHI:	InChI=1S/C20H14N4O/c25-19(15-10-22-17-8-4-2-6-13(15)17)20-23-11-18(24-20)14-9-21-16-7-3-1-5-12(14)16/h1-11,21-22H,(H,23,24)
Canonical SMILES:	O=C(c1c[nH]c2c1cccc2)c1[nH]cc(n1)c1c[nH]c2c1cccc2
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
NPO32581	spongosorites sp.	Species	Halichondriidae	Eukaryota				PMID[16154746]
NPO32581	spongosorites sp.	Species	Halichondriidae	Eukaryota				PMID[15921415]

Biological Activity

Activity Type	# Activity
ED50	5
IC50	3
MIC	1

Activity Type	# Activity
Cell Line	5
Individual Protein	2
Organism	1
Others	1

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT1821	Individual Protein	Sortase	Staphylococcus aureus	IC50	=	15.67	ug/ml	10.1007/s00044-013-0466-y
NPT81	Cell Line	A549	Homo sapiens	ED50	>	30	ug/ml	22301215
NPT148	Cell Line	HCT-15	Homo sapiens	ED50	=	26.18	ug/ml	Open TG-GATES in vivo data: Biochemistry
NPT2	Others	Unspecified		IC50	=	240	nM	24972340
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MIC	=	6.25	ug/ml	25614114
NPT146	Cell Line	SK-OV-3	Homo sapiens	ED50	>	30	ug/ml	25556102
NPT1821	Individual Protein	Sortase	Staphylococcus aureus	IC50	=	15.67	ug/ml	DrugMatrix in vitro pharmacology data
NPT147	Cell Line	SK-MEL-2	Homo sapiens	ED50	>	30	ug/ml	16499316
NPT574	Cell Line	XF498	Homo sapiens	ED50	>	30	ug/ml	21982796

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 NPC267811 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	654
0.1-0.2	7735
0.2-0.3	14492
0.3-0.4	4660
0.4-0.5	1241
0.5-0.6	1301
0.6-0.7	684
0.7-0.8	106
0.8-0.85	9
0.85-0.9	2
0.9-0.95	5
0.95-1	0

Similarity Score	Similarity Level	Natural Product ID
0.9381	High Similarity	NPC116555
0.9366	High Similarity	NPC267078
0.9366	High Similarity	NPC935
0.932	High Similarity	NPC474357
0.9223	High Similarity	NPC470323
0.8615	High Similarity	NPC326422
0.8533	High Similarity	NPC63109
0.8333	Intermediate Similarity	NPC304203
0.8269	Intermediate Similarity	NPC473218
0.8269	Intermediate Similarity	NPC470702
0.8235	Intermediate Similarity	NPC317701
0.823	Intermediate Similarity	NPC470703
0.8229	Intermediate Similarity	NPC284775
0.8103	Intermediate Similarity	NPC191415
0.8067	Intermediate Similarity	NPC77101
0.805	Intermediate Similarity	NPC476460
0.7887	Intermediate Similarity	NPC282247
0.7879	Intermediate Similarity	NPC102755
0.7787	Intermediate Similarity	NPC74619
0.7767	Intermediate Similarity	NPC167710
0.775	Intermediate Similarity	NPC477003
0.7688	Intermediate Similarity	NPC16659
0.7677	Intermediate Similarity	NPC473380
0.7677	Intermediate Similarity	NPC240088
0.7647	Intermediate Similarity	NPC324091
0.7638	Intermediate Similarity	NPC265710
0.7614	Intermediate Similarity	NPC252572
0.7608	Intermediate Similarity	NPC237414
0.7568	Intermediate Similarity	NPC229893
0.7548	Intermediate Similarity	NPC128244
0.7537	Intermediate Similarity	NPC308931
0.7537	Intermediate Similarity	NPC99939
0.7512	Intermediate Similarity	NPC471194
0.7512	Intermediate Similarity	NPC471193
0.7488	Intermediate Similarity	NPC21429
0.7487	Intermediate Similarity	NPC317105
0.7478	Intermediate Similarity	NPC69843
0.745	Intermediate Similarity	NPC151635
0.7449	Intermediate Similarity	NPC42372
0.7436	Intermediate Similarity	NPC470203
0.7434	Intermediate Similarity	NPC156003
0.7426	Intermediate Similarity	NPC88110
0.7385	Intermediate Similarity	NPC72956
0.7385	Intermediate Similarity	NPC470204
0.7385	Intermediate Similarity	NPC54981
0.7381	Intermediate Similarity	NPC102592
0.7381	Intermediate Similarity	NPC79356
0.7353	Intermediate Similarity	NPC117027
0.7352	Intermediate Similarity	NPC6865
0.7352	Intermediate Similarity	NPC153980
0.7336	Intermediate Similarity	NPC207686
0.733	Intermediate Similarity	NPC135601
0.733	Intermediate Similarity	NPC141612
0.733	Intermediate Similarity	NPC17273
0.7321	Intermediate Similarity	NPC216550
0.7313	Intermediate Similarity	NPC293216
0.7297	Intermediate Similarity	NPC27041
0.7282	Intermediate Similarity	NPC133003
0.7277	Intermediate Similarity	NPC477004
0.7252	Intermediate Similarity	NPC471192
0.725	Intermediate Similarity	NPC471943
0.7248	Intermediate Similarity	NPC71238
0.7234	Intermediate Similarity	NPC295452
0.7234	Intermediate Similarity	NPC171393
0.7233	Intermediate Similarity	NPC467063
0.723	Intermediate Similarity	NPC474389
0.7228	Intermediate Similarity	NPC317054
0.7227	Intermediate Similarity	NPC82370
0.721	Intermediate Similarity	NPC235685
0.7208	Intermediate Similarity	NPC122141
0.7204	Intermediate Similarity	NPC474180
0.7204	Intermediate Similarity	NPC188821
0.7198	Intermediate Similarity	NPC476341
0.7194	Intermediate Similarity	NPC216643
0.7183	Intermediate Similarity	NPC227582
0.7179	Intermediate Similarity	NPC101350
0.7177	Intermediate Similarity	NPC473666
0.7163	Intermediate Similarity	NPC476527
0.7156	Intermediate Similarity	NPC272458
0.7136	Intermediate Similarity	NPC470677
0.7135	Intermediate Similarity	NPC288838
0.7128	Intermediate Similarity	NPC325903
0.7116	Intermediate Similarity	NPC474318
0.7116	Intermediate Similarity	NPC153123
0.7116	Intermediate Similarity	NPC475914
0.7116	Intermediate Similarity	NPC74413
0.7116	Intermediate Similarity	NPC201266
0.7116	Intermediate Similarity	NPC220797
0.7116	Intermediate Similarity	NPC268744
0.7105	Intermediate Similarity	NPC130570
0.7101	Intermediate Similarity	NPC470205
0.71	Intermediate Similarity	NPC115232
0.7098	Intermediate Similarity	NPC36405
0.7095	Intermediate Similarity	NPC321708
0.7095	Intermediate Similarity	NPC103119
0.7091	Intermediate Similarity	NPC266249
0.7083	Intermediate Similarity	NPC269203
0.7083	Intermediate Similarity	NPC252338
0.7083	Intermediate Similarity	NPC13456
0.7083	Intermediate Similarity	NPC77241
0.7083	Intermediate Similarity	NPC166209
0.7073	Intermediate Similarity	NPC237188
0.7073	Intermediate Similarity	NPC157583
0.7071	Intermediate Similarity	NPC474492
0.7071	Intermediate Similarity	NPC92796
0.7071	Intermediate Similarity	NPC135141
0.707	Intermediate Similarity	NPC67288
0.707	Intermediate Similarity	NPC131887
0.7062	Intermediate Similarity	NPC154339
0.7037	Intermediate Similarity	NPC81535
0.7028	Intermediate Similarity	NPC210123
0.7027	Intermediate Similarity	NPC123839
0.7026	Intermediate Similarity	NPC53947
0.7022	Intermediate Similarity	NPC470731
0.7022	Intermediate Similarity	NPC470732
0.7019	Intermediate Similarity	NPC270834
0.7018	Intermediate Similarity	NPC260900
0.701	Intermediate Similarity	NPC469811
0.701	Intermediate Similarity	NPC114209
0.7005	Intermediate Similarity	NPC73994
0.7005	Intermediate Similarity	NPC314281
0.7005	Intermediate Similarity	NPC40530
0.6995	Remote Similarity	NPC47190
0.6986	Remote Similarity	NPC110158
0.6974	Remote Similarity	NPC276657
0.6974	Remote Similarity	NPC321911
0.6972	Remote Similarity	NPC469308
0.6971	Remote Similarity	NPC307191
0.6963	Remote Similarity	NPC267343
0.6959	Remote Similarity	NPC143872
0.6959	Remote Similarity	NPC63545
0.6955	Remote Similarity	NPC473376
0.695	Remote Similarity	NPC100104
0.695	Remote Similarity	NPC470680
0.6944	Remote Similarity	NPC174281
0.6944	Remote Similarity	NPC475286
0.6942	Remote Similarity	NPC280852
0.6931	Remote Similarity	NPC233380
0.6929	Remote Similarity	NPC178858
0.6923	Remote Similarity	NPC179787
0.6923	Remote Similarity	NPC201380
0.6923	Remote Similarity	NPC471191
0.6923	Remote Similarity	NPC477042
0.6919	Remote Similarity	NPC62749
0.6916	Remote Similarity	NPC238945
0.6915	Remote Similarity	NPC242116
0.6915	Remote Similarity	NPC225018
0.6912	Remote Similarity	NPC474916
0.6912	Remote Similarity	NPC34837
0.6897	Remote Similarity	NPC49217
0.6894	Remote Similarity	NPC279189
0.6894	Remote Similarity	NPC200553
0.6889	Remote Similarity	NPC471603
0.6887	Remote Similarity	NPC17059
0.6887	Remote Similarity	NPC278434
0.6881	Remote Similarity	NPC136957
0.6881	Remote Similarity	NPC478184
0.6881	Remote Similarity	NPC19696
0.6872	Remote Similarity	NPC322064
0.6869	Remote Similarity	NPC138370
0.686	Remote Similarity	NPC477420
0.686	Remote Similarity	NPC477418
0.6853	Remote Similarity	NPC471655
0.6852	Remote Similarity	NPC202812
0.684	Remote Similarity	NPC94752
0.6835	Remote Similarity	NPC174489
0.6832	Remote Similarity	NPC214106
0.683	Remote Similarity	NPC162860
0.6827	Remote Similarity	NPC83774
0.682	Remote Similarity	NPC329765
0.682	Remote Similarity	NPC476526
0.682	Remote Similarity	NPC48117
0.6816	Remote Similarity	NPC54420
0.6816	Remote Similarity	NPC300238
0.6814	Remote Similarity	NPC56233
0.6814	Remote Similarity	NPC114637
0.6814	Remote Similarity	NPC118940
0.6814	Remote Similarity	NPC110182
0.6812	Remote Similarity	NPC469529
0.681	Remote Similarity	NPC122436
0.6807	Remote Similarity	NPC162002
0.6803	Remote Similarity	NPC91868
0.6803	Remote Similarity	NPC63971
0.6802	Remote Similarity	NPC282531
0.6798	Remote Similarity	NPC265100
0.6795	Remote Similarity	NPC192712
0.6794	Remote Similarity	NPC11126
0.6792	Remote Similarity	NPC15102
0.6787	Remote Similarity	NPC476073
0.6784	Remote Similarity	NPC54744
0.6778	Remote Similarity	NPC26641
0.6776	Remote Similarity	NPC255909
0.6774	Remote Similarity	NPC157828
0.6774	Remote Similarity	NPC195239
0.6771	Remote Similarity	NPC472064
0.6767	Remote Similarity	NPC327095
0.6767	Remote Similarity	NPC312942
0.6766	Remote Similarity	NPC236711
0.6762	Remote Similarity	NPC61011
0.6758	Remote Similarity	NPC171317

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC267811 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	359
0.1-0.2	858
0.2-0.3	1258
0.3-0.4	2368
0.4-0.5	1935
0.5-0.6	1449
0.6-0.7	781
0.7-0.8	140
0.8-0.85	9
0.85-0.9	4
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.8889	High Similarity	NPD2008	Discontinued
0.8812	High Similarity	NPD2411	Approved
0.8522	High Similarity	NPD2442	Approved
0.8522	High Similarity	NPD2443	Approved
0.8458	Intermediate Similarity	NPD2879	Approved
0.8458	Intermediate Similarity	NPD2881	Approved
0.839	Intermediate Similarity	NPD1600	Suspended
0.8382	Intermediate Similarity	NPD1506	Discontinued
0.8301	Intermediate Similarity	NPD2408	Discontinued
0.8293	Intermediate Similarity	NPD3905	Phase 3
0.815	Intermediate Similarity	NPD460	Discontinued
0.8048	Intermediate Similarity	NPD4863	Approved
0.801	Intermediate Similarity	NPD1895	Discontinued
0.7991	Intermediate Similarity	NPD6470	Phase 3
0.799	Intermediate Similarity	NPD1982	Phase 1
0.7941	Intermediate Similarity	NPD2880	Discontinued
0.7783	Intermediate Similarity	NPD2295	Clinical (unspecified phase)
0.7767	Intermediate Similarity	NPD5446	Phase 2
0.7757	Intermediate Similarity	NPD8458	Clinical (unspecified phase)
0.7757	Intermediate Similarity	NPD7657	Approved
0.7757	Intermediate Similarity	NPD7656	Approved
0.7721	Intermediate Similarity	NPD8488	Clinical (unspecified phase)
0.7696	Intermediate Similarity	NPD1658	Discontinued
0.7696	Intermediate Similarity	NPD8256	Approved
0.7696	Intermediate Similarity	NPD8258	Clinical (unspecified phase)
0.7696	Intermediate Similarity	NPD8257	Approved
0.7681	Intermediate Similarity	NPD1952	Discontinued
0.7671	Intermediate Similarity	NPD6579	Phase 2
0.7653	Intermediate Similarity	NPD3347	Clinical (unspecified phase)
0.7633	Intermediate Similarity	NPD7023	Clinical (unspecified phase)
0.7594	Intermediate Similarity	NPD6229	Phase 2
0.7586	Intermediate Similarity	NPD2793	Discontinued
0.7573	Intermediate Similarity	NPD3430	Approved
0.7573	Intermediate Similarity	NPD3431	Approved
0.7565	Intermediate Similarity	NPD6715	Discontinued
0.7563	Intermediate Similarity	NPD1567	Clinical (unspecified phase)
0.7562	Intermediate Similarity	NPD4649	Clinical (unspecified phase)
0.7549	Intermediate Similarity	NPD2009	Clinical (unspecified phase)
0.7547	Intermediate Similarity	NPD2364	Suspended
0.7545	Intermediate Similarity	NPD6165	Phase 2
0.7545	Intermediate Similarity	NPD6164	Phase 2
0.7545	Intermediate Similarity	NPD5199	Approved
0.7545	Intermediate Similarity	NPD5198	Approved
0.7544	Intermediate Similarity	NPD6986	Phase 1
0.7534	Intermediate Similarity	NPD5643	Phase 2
0.7533	Intermediate Similarity	NPD8047	Clinical (unspecified phase)
0.7523	Intermediate Similarity	NPD3839	Phase 2
0.7523	Intermediate Similarity	NPD3840	Phase 2
0.7512	Intermediate Similarity	NPD4299	Phase 1
0.7512	Intermediate Similarity	NPD7208	Approved
0.7512	Intermediate Similarity	NPD7209	Approved
0.7512	Intermediate Similarity	NPD7207	Approved
0.7511	Intermediate Similarity	NPD6210	Phase 3
0.75	Intermediate Similarity	NPD4541	Clinical (unspecified phase)
0.7477	Intermediate Similarity	NPD2363	Discontinued
0.7463	Intermediate Similarity	NPD2930	Clinical (unspecified phase)
0.7454	Intermediate Similarity	NPD7704	Clinical (unspecified phase)
0.7453	Intermediate Similarity	NPD6837	Clinical (unspecified phase)
0.7426	Intermediate Similarity	NPD5962	Phase 2
0.7404	Intermediate Similarity	NPD1896	Approved
0.7399	Intermediate Similarity	NPD4854	Phase 3
0.7382	Intermediate Similarity	NPD5831	Discontinued
0.7366	Intermediate Similarity	NPD5001	Clinical (unspecified phase)
0.7364	Intermediate Similarity	NPD4395	Phase 1
0.7361	Intermediate Similarity	NPD7445	Phase 1
0.7357	Intermediate Similarity	NPD5415	Approved
0.7336	Intermediate Similarity	NPD4924	Clinical (unspecified phase)
0.733	Intermediate Similarity	NPD2412	Clinical (unspecified phase)
0.7315	Intermediate Similarity	NPD6271	Approved
0.7299	Intermediate Similarity	NPD1871	Approved
0.7293	Intermediate Similarity	NPD8316	Phase 2
0.7293	Intermediate Similarity	NPD8317	Phase 2
0.7286	Intermediate Similarity	NPD2333	Discontinued
0.7281	Intermediate Similarity	NPD6328	Clinical (unspecified phase)
0.7277	Intermediate Similarity	NPD5854	Approved
0.7273	Intermediate Similarity	NPD6180	Clinical (unspecified phase)
0.726	Intermediate Similarity	NPD5016	Approved
0.7248	Intermediate Similarity	NPD6459	Phase 2
0.7246	Intermediate Similarity	NPD4940	Approved
0.7246	Intermediate Similarity	NPD3378	Clinical (unspecified phase)
0.7235	Intermediate Similarity	NPD4023	Clinical (unspecified phase)
0.7233	Intermediate Similarity	NPD3607	Clinical (unspecified phase)
0.7217	Intermediate Similarity	NPD2316	Clinical (unspecified phase)
0.7217	Intermediate Similarity	NPD6278	Clinical (unspecified phase)
0.7206	Intermediate Similarity	NPD3341	Clinical (unspecified phase)
0.7205	Intermediate Similarity	NPD7887	Approved
0.7205	Intermediate Similarity	NPD7888	Approved
0.7198	Intermediate Similarity	NPD6465	Phase 2
0.7193	Intermediate Similarity	NPD5887	Clinical (unspecified phase)
0.7186	Intermediate Similarity	NPD1313	Approved
0.717	Intermediate Similarity	NPD8641	Approved
0.717	Intermediate Similarity	NPD5855	Phase 3
0.717	Intermediate Similarity	NPD7406	Phase 2
0.717	Intermediate Similarity	NPD5853	Phase 3
0.7161	Intermediate Similarity	NPD3914	Clinical (unspecified phase)
0.7156	Intermediate Similarity	NPD5489	Phase 1
0.7156	Intermediate Similarity	NPD4922	Phase 2
0.7156	Intermediate Similarity	NPD5491	Phase 3
0.715	Intermediate Similarity	NPD2392	Clinical (unspecified phase)
0.7136	Intermediate Similarity	NPD1708	Approved
0.7136	Intermediate Similarity	NPD1707	Approved
0.7129	Intermediate Similarity	NPD4988	Discontinued
0.7124	Intermediate Similarity	NPD5827	Discontinued
0.7123	Intermediate Similarity	NPD2445	Approved
0.7123	Intermediate Similarity	NPD3485	Clinical (unspecified phase)
0.7123	Intermediate Similarity	NPD2446	Approved
0.711	Intermediate Similarity	NPD4446	Approved
0.7109	Intermediate Similarity	NPD3419	Clinical (unspecified phase)
0.7105	Intermediate Similarity	NPD7661	Clinical (unspecified phase)
0.7104	Intermediate Similarity	NPD4051	Discontinued
0.7103	Intermediate Similarity	NPD5462	Discontinued
0.7101	Intermediate Similarity	NPD3959	Phase 2
0.7101	Intermediate Similarity	NPD3962	Phase 2
0.7101	Intermediate Similarity	NPD1332	Clinical (unspecified phase)
0.71	Intermediate Similarity	NPD2400	Phase 2
0.7097	Intermediate Similarity	NPD6268	Phase 1
0.7097	Intermediate Similarity	NPD6269	Clinical (unspecified phase)
0.7087	Intermediate Similarity	NPD1291	Clinical (unspecified phase)
0.7087	Intermediate Similarity	NPD5508	Phase 1
0.7081	Intermediate Similarity	NPD4426	Clinical (unspecified phase)
0.7075	Intermediate Similarity	NPD4615	Phase 2
0.7072	Intermediate Similarity	NPD4614	Clinical (unspecified phase)
0.707	Intermediate Similarity	NPD6469	Phase 3
0.707	Intermediate Similarity	NPD6468	Clinical (unspecified phase)
0.7067	Intermediate Similarity	NPD2456	Phase 2
0.7067	Intermediate Similarity	NPD5465	Phase 2
0.7067	Intermediate Similarity	NPD2457	Phase 2
0.7066	Intermediate Similarity	NPD3811	Discontinued
0.7062	Intermediate Similarity	NPD5686	Approved
0.7062	Intermediate Similarity	NPD5685	Approved
0.7062	Intermediate Similarity	NPD5145	Clinical (unspecified phase)
0.7059	Intermediate Similarity	NPD5985	Phase 2
0.7059	Intermediate Similarity	NPD2819	Clinical (unspecified phase)
0.7056	Intermediate Similarity	NPD4848	Phase 1
0.7056	Intermediate Similarity	NPD2960	Clinical (unspecified phase)
0.7051	Intermediate Similarity	NPD6970	Phase 2
0.7051	Intermediate Similarity	NPD8159	Discontinued
0.7049	Intermediate Similarity	NPD8484	Phase 2
0.7039	Intermediate Similarity	NPD7172	Approved
0.7039	Intermediate Similarity	NPD3786	Phase 3
0.7039	Intermediate Similarity	NPD7173	Approved
0.7027	Intermediate Similarity	NPD7809	Clinical (unspecified phase)
0.7015	Intermediate Similarity	NPD1333	Phase 3
0.7014	Intermediate Similarity	NPD6520	Phase 3
0.7014	Intermediate Similarity	NPD6521	Phase 3
0.7005	Intermediate Similarity	NPD2481	Approved
0.7005	Intermediate Similarity	NPD2479	Phase 3
0.7005	Intermediate Similarity	NPD8248	Clinical (unspecified phase)
0.7	Intermediate Similarity	NPD1016	Phase 2
0.7	Intermediate Similarity	NPD4902	Discontinued
0.7	Intermediate Similarity	NPD1015	Phase 2
0.7	Intermediate Similarity	NPD2591	Phase 2
0.7	Intermediate Similarity	NPD6721	Phase 1
0.6996	Remote Similarity	NPD3265	Phase 1
0.6991	Remote Similarity	NPD465	Clinical (unspecified phase)
0.6991	Remote Similarity	NPD2812	Clinical (unspecified phase)
0.6991	Remote Similarity	NPD2813	Phase 3
0.6982	Remote Similarity	NPD3860	Discontinued
0.698	Remote Similarity	NPD2478	Clinical (unspecified phase)
0.6972	Remote Similarity	NPD4318	Clinical (unspecified phase)
0.6968	Remote Similarity	NPD8493	Clinical (unspecified phase)
0.6967	Remote Similarity	NPD3246	Discontinued
0.6966	Remote Similarity	NPD3960	Clinical (unspecified phase)
0.6963	Remote Similarity	NPD6265	Discontinued
0.6957	Remote Similarity	NPD3432	Approved
0.6955	Remote Similarity	NPD6288	Clinical (unspecified phase)
0.6952	Remote Similarity	NPD4298	Clinical (unspecified phase)
0.6951	Remote Similarity	NPD5072	Discontinued
0.6948	Remote Similarity	NPD7709	Discontinued
0.6947	Remote Similarity	NPD4851	Clinical (unspecified phase)
0.6944	Remote Similarity	NPD3830	Phase 1
0.694	Remote Similarity	NPD7694	Discontinued
0.6937	Remote Similarity	NPD2509	Approved
0.6937	Remote Similarity	NPD2510	Approved
0.6936	Remote Similarity	NPD7415	Suspended
0.6927	Remote Similarity	NPD6816	Phase 3
0.6923	Remote Similarity	NPD5473	Discontinued
0.6919	Remote Similarity	NPD5820	Clinical (unspecified phase)
0.6919	Remote Similarity	NPD2872	Phase 2
0.6912	Remote Similarity	NPD7459	Phase 2
0.6912	Remote Similarity	NPD2875	Clinical (unspecified phase)
0.691	Remote Similarity	NPD7767	Approved
0.6908	Remote Similarity	NPD3041	Approved
0.6903	Remote Similarity	NPD6481	Clinical (unspecified phase)
0.6898	Remote Similarity	NPD2311	Clinical (unspecified phase)
0.6898	Remote Similarity	NPD3362	Clinical (unspecified phase)
0.6892	Remote Similarity	NPD8410	Clinical (unspecified phase)
0.689	Remote Similarity	NPD5806	Clinical (unspecified phase)
0.6889	Remote Similarity	NPD4352	Phase 1
0.6889	Remote Similarity	NPD6954	Phase 2
0.6887	Remote Similarity	NPD3002	Clinical (unspecified phase)
0.6886	Remote Similarity	NPD5533	Discontinued
0.6883	Remote Similarity	NPD6849	Phase 2
0.6883	Remote Similarity	NPD6850	Phase 2
0.6881	Remote Similarity	NPD6264	Discontinued
0.6875	Remote Similarity	NPD1327	Discontinued
0.6875	Remote Similarity	NPD5821	Approved
0.6872	Remote Similarity	NPD8523	Approved
0.6872	Remote Similarity	NPD4558	Phase 2
0.6866	Remote Similarity	NPD6664	Approved

Structure

NPC267811 OpenBabel07101718222D 25 29 0 0 0 0 0 0 0 0999 V2000 -3.3305 -2.6303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9409 0.6460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1965 -2.1303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5287 -0.1630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4644 -2.1303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9464 0.5415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1965 -1.1303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1220 -1.0765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1280 0.4523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5886 -1.6810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3364 -1.5827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4644 -1.1303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5396 -0.3720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7213 -0.4612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5886 -0.6810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3305 -0.6303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1274 -1.1810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7431 -0.6691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7796 -0.0933 0.0000 C 0 0 0 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 -3.1226 0.3478 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5396 -1.9901 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6581 -1.4781 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8841 0.9013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 5 1 0 0 0 0 2 4 2 0 0 0 0 2 6 1 0 0 0 0 3 7 1 0 0 0 0 4 8 1 0 0 0 0 5 12 2 0 0 0 0 6 13 2 0 0 0 0 7 16 2 0 0 0 0 8 17 2 0 0 0 0 9 14 2 0 0 0 0 9 21 1 0 0 0 0 10 15 2 0 0 0 0 10 22 1 0 0 0 0 11 18 2 0 0 0 0 11 23 1 0 0 0 0 12 14 1 0 0 0 0 12 16 1 0 0 0 0 13 15 1 0 0 0 0 13 17 1 0 0 0 0 14 18 1 0 0 0 0 15 19 1 0 0 0 0 16 21 1 0 0 0 0 17 22 1 0 0 0 0 18 24 1 0 0 0 0 19 20 1 0 0 0 0 19 25 2 0 0 0 0 20 23 1 0 0 0 0 20 24 2 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	183527
ChEMBL	CHEMBL372191
ZINC

Physicochemical Properties

Molecular Weight:	326.12
ALogP:	-1.525
MLogP:	3.11
XLogP:	3.692
# Rotatable Bonds:	3
Polar Surface Area:	77.33
# H-Bond Aceptor:	5
# H-Bond Donor:	3
# Rings:	5
# Heavy Atoms:	25

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