NPASS Natural Product

Natural Product: NPC208890

Natural Product ID:	NPC208890
Common Name:	(-)-4-Methoxy-13,14-Dihydrooxypalmatine
IUPAC Name:	(13aS)-2,3,4,9,10-pentamethoxy-5,6,13,13a-tetrahydroisoquinolino[2,1-b]isoquinolin-8-one
Synonyms:
Molecular Formula:	C22H25NO6
Standard InCHIKey:	BDKSVKIXBUPEFA-HNNXBMFYSA-N
Standard InCHI:	InChI=1S/C22H25NO6/c1-25-16-7-6-12-10-15-14-11-17(26-2)21(29-5)19(27-3)13(14)8-9-23(15)22(24)18(12)20(16)28-4/h6-7,11,15H,8-10H2,1-5H3/t15-/m0/s1
Canonical SMILES:	COc1ccc2c(c1OC)C(=O)N1[C@@H](C2)c2cc(OC)c(c(c2CC1)OC)OC
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
NPO23690	Cocculus orbiculatus	Species	Menispermaceae	Eukaryota				PMID[16038548]

Biological Activity

Activity Type	# Activity
IC50	4

Activity Type	# Activity
Cell Line	3
Others	1

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT65	Cell Line	HepG2	Homo sapiens	IC50	=	23.5	ug/ml	18157122
NPT2	Others	Unspecified		IC50	>	30	ug/ml	18157122
NPT83	Cell Line	MCF7	Homo sapiens	IC50	>	30	ug/ml	18157122
NPT82	Cell Line	MDA-MB-231	Homo sapiens	IC50	>	30	ug/ml	18157122

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 NPC208890 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	283
0.1-0.2	1310
0.2-0.3	4014
0.3-0.4	8565
0.4-0.5	3228
0.5-0.6	6100
0.6-0.7	6491
0.7-0.8	839
0.8-0.85	48
0.85-0.9	8
0.9-0.95	2
0.95-1	1

Similarity Score	Similarity Level	Natural Product ID
0.9524	High Similarity	NPC222524
0.9143	High Similarity	NPC477259
0.9143	High Similarity	NPC169387
0.884	High Similarity	NPC477258
0.8791	High Similarity	NPC24228
0.8656	High Similarity	NPC119818
0.8656	High Similarity	NPC202771
0.8656	High Similarity	NPC328700
0.8656	High Similarity	NPC2173
0.8539	High Similarity	NPC27887
0.85	High Similarity	NPC116007
0.8441	Intermediate Similarity	NPC215098
0.8441	Intermediate Similarity	NPC73020
0.8441	Intermediate Similarity	NPC124302
0.8441	Intermediate Similarity	NPC14622
0.8441	Intermediate Similarity	NPC46744
0.8441	Intermediate Similarity	NPC70290
0.841	Intermediate Similarity	NPC38964
0.837	Intermediate Similarity	NPC226708
0.8351	Intermediate Similarity	NPC120671
0.8351	Intermediate Similarity	NPC226652
0.8351	Intermediate Similarity	NPC72788
0.8351	Intermediate Similarity	NPC314100
0.8343	Intermediate Similarity	NPC264850
0.8343	Intermediate Similarity	NPC13916
0.8325	Intermediate Similarity	NPC82056
0.8297	Intermediate Similarity	NPC83511
0.8286	Intermediate Similarity	NPC24465
0.8214	Intermediate Similarity	NPC106295
0.8214	Intermediate Similarity	NPC16107
0.8214	Intermediate Similarity	NPC210437
0.8214	Intermediate Similarity	NPC476144
0.8214	Intermediate Similarity	NPC51957
0.8182	Intermediate Similarity	NPC469816
0.8182	Intermediate Similarity	NPC469815
0.8172	Intermediate Similarity	NPC473716
0.8172	Intermediate Similarity	NPC475597
0.8171	Intermediate Similarity	NPC153631
0.8166	Intermediate Similarity	NPC7467
0.8156	Intermediate Similarity	NPC198498
0.8156	Intermediate Similarity	NPC276890
0.8156	Intermediate Similarity	NPC76682
0.8156	Intermediate Similarity	NPC317145
0.8156	Intermediate Similarity	NPC115284
0.8156	Intermediate Similarity	NPC10908
0.8156	Intermediate Similarity	NPC227060
0.8156	Intermediate Similarity	NPC317439
0.8156	Intermediate Similarity	NPC63646
0.8129	Intermediate Similarity	NPC119669
0.8111	Intermediate Similarity	NPC12424
0.8111	Intermediate Similarity	NPC129518
0.8111	Intermediate Similarity	NPC251580
0.8111	Intermediate Similarity	NPC41376
0.8077	Intermediate Similarity	NPC327005
0.8075	Intermediate Similarity	NPC63152
0.8042	Intermediate Similarity	NPC125924
0.8033	Intermediate Similarity	NPC99723
0.8022	Intermediate Similarity	NPC293093
0.801	Intermediate Similarity	NPC46990
0.7976	Intermediate Similarity	NPC128019
0.7976	Intermediate Similarity	NPC476567
0.7976	Intermediate Similarity	NPC136860
0.7944	Intermediate Similarity	NPC83198
0.7944	Intermediate Similarity	NPC204908
0.7935	Intermediate Similarity	NPC475479
0.7935	Intermediate Similarity	NPC243454
0.7923	Intermediate Similarity	NPC241704
0.7921	Intermediate Similarity	NPC476569
0.7892	Intermediate Similarity	NPC239584
0.7886	Intermediate Similarity	NPC295691
0.7886	Intermediate Similarity	NPC216459
0.7886	Intermediate Similarity	NPC469817
0.7886	Intermediate Similarity	NPC127674
0.7886	Intermediate Similarity	NPC278799
0.7886	Intermediate Similarity	NPC41178
0.7886	Intermediate Similarity	NPC172765
0.7886	Intermediate Similarity	NPC138487
0.7886	Intermediate Similarity	NPC276588
0.7886	Intermediate Similarity	NPC54379
0.7886	Intermediate Similarity	NPC39701
0.7886	Intermediate Similarity	NPC2413
0.7886	Intermediate Similarity	NPC110416
0.7886	Intermediate Similarity	NPC193949
0.7886	Intermediate Similarity	NPC189266
0.7886	Intermediate Similarity	NPC204828
0.7886	Intermediate Similarity	NPC207757
0.7886	Intermediate Similarity	NPC249797
0.7886	Intermediate Similarity	NPC184026
0.7886	Intermediate Similarity	NPC5238
0.7876	Intermediate Similarity	NPC475654
0.7857	Intermediate Similarity	NPC80472
0.7857	Intermediate Similarity	NPC67978
0.7857	Intermediate Similarity	NPC303581
0.7857	Intermediate Similarity	NPC474915
0.7857	Intermediate Similarity	NPC188163
0.7857	Intermediate Similarity	NPC213206
0.7857	Intermediate Similarity	NPC328750
0.7857	Intermediate Similarity	NPC227683
0.7849	Intermediate Similarity	NPC229373
0.7849	Intermediate Similarity	NPC54654
0.7849	Intermediate Similarity	NPC258657
0.7849	Intermediate Similarity	NPC271013
0.7849	Intermediate Similarity	NPC73492
0.7849	Intermediate Similarity	NPC251735
0.7849	Intermediate Similarity	NPC239824
0.7849	Intermediate Similarity	NPC279228
0.7849	Intermediate Similarity	NPC290582
0.7849	Intermediate Similarity	NPC8836
0.7849	Intermediate Similarity	NPC217748
0.7849	Intermediate Similarity	NPC182052
0.7849	Intermediate Similarity	NPC223690
0.7849	Intermediate Similarity	NPC311973
0.7849	Intermediate Similarity	NPC42663
0.7849	Intermediate Similarity	NPC185639
0.7849	Intermediate Similarity	NPC104196
0.7849	Intermediate Similarity	NPC290005
0.7849	Intermediate Similarity	NPC15414
0.7849	Intermediate Similarity	NPC222661
0.7849	Intermediate Similarity	NPC285931
0.7849	Intermediate Similarity	NPC328155
0.7849	Intermediate Similarity	NPC7715
0.7849	Intermediate Similarity	NPC49075
0.7849	Intermediate Similarity	NPC90998
0.7849	Intermediate Similarity	NPC299990
0.7849	Intermediate Similarity	NPC181796
0.7841	Intermediate Similarity	NPC146288
0.7838	Intermediate Similarity	NPC32154
0.7824	Intermediate Similarity	NPC267414
0.7824	Intermediate Similarity	NPC207239
0.7816	Intermediate Similarity	NPC476579
0.7814	Intermediate Similarity	NPC190783
0.7814	Intermediate Similarity	NPC232386
0.7814	Intermediate Similarity	NPC152680
0.7809	Intermediate Similarity	NPC135006
0.7807	Intermediate Similarity	NPC167116
0.7807	Intermediate Similarity	NPC254441
0.7807	Intermediate Similarity	NPC274716
0.7798	Intermediate Similarity	NPC314682
0.7797	Intermediate Similarity	NPC476572
0.7796	Intermediate Similarity	NPC286119
0.7795	Intermediate Similarity	NPC286135
0.779	Intermediate Similarity	NPC204947
0.7784	Intermediate Similarity	NPC325871
0.7784	Intermediate Similarity	NPC123323
0.7784	Intermediate Similarity	NPC99659
0.7772	Intermediate Similarity	NPC308267
0.7766	Intermediate Similarity	NPC302245
0.7766	Intermediate Similarity	NPC16357
0.7766	Intermediate Similarity	NPC95426
0.7766	Intermediate Similarity	NPC18306
0.776	Intermediate Similarity	NPC149090
0.776	Intermediate Similarity	NPC19520
0.776	Intermediate Similarity	NPC239775
0.776	Intermediate Similarity	NPC10871
0.776	Intermediate Similarity	NPC470646
0.7754	Intermediate Similarity	NPC30779
0.7747	Intermediate Similarity	NPC473748
0.7742	Intermediate Similarity	NPC220961
0.774	Intermediate Similarity	NPC31311
0.774	Intermediate Similarity	NPC234392
0.773	Intermediate Similarity	NPC35680
0.7725	Intermediate Similarity	NPC65312
0.7725	Intermediate Similarity	NPC116465
0.7725	Intermediate Similarity	NPC212237
0.7725	Intermediate Similarity	NPC139783
0.7713	Intermediate Similarity	NPC302275
0.7705	Intermediate Similarity	NPC168753
0.7705	Intermediate Similarity	NPC118274
0.7705	Intermediate Similarity	NPC75958
0.7703	Intermediate Similarity	NPC315914
0.7688	Intermediate Similarity	NPC476151
0.7684	Intermediate Similarity	NPC22115
0.7684	Intermediate Similarity	NPC275680
0.7684	Intermediate Similarity	NPC166979
0.768	Intermediate Similarity	NPC83019
0.768	Intermediate Similarity	NPC71124
0.7672	Intermediate Similarity	NPC249996
0.7657	Intermediate Similarity	NPC97221
0.7657	Intermediate Similarity	NPC151895
0.7657	Intermediate Similarity	NPC192768
0.7657	Intermediate Similarity	NPC220858
0.7657	Intermediate Similarity	NPC88249
0.765	Intermediate Similarity	NPC241055
0.7644	Intermediate Similarity	NPC82457
0.7644	Intermediate Similarity	NPC11296
0.7644	Intermediate Similarity	NPC274661
0.7644	Intermediate Similarity	NPC175890
0.7644	Intermediate Similarity	NPC82763
0.7644	Intermediate Similarity	NPC206900
0.7644	Intermediate Similarity	NPC281581
0.7644	Intermediate Similarity	NPC48490
0.7641	Intermediate Similarity	NPC5374
0.7629	Intermediate Similarity	NPC204580
0.7626	Intermediate Similarity	NPC268077
0.7622	Intermediate Similarity	NPC2314
0.7614	Intermediate Similarity	NPC81733
0.7614	Intermediate Similarity	NPC326316
0.7611	Intermediate Similarity	NPC205255
0.7611	Intermediate Similarity	NPC235143
0.7611	Intermediate Similarity	NPC271388

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC208890 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	205
0.1-0.2	744
0.2-0.3	951
0.3-0.4	1987
0.4-0.5	2583
0.5-0.6	1877
0.6-0.7	677
0.7-0.8	122
0.8-0.85	13
0.85-0.9	2
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.8656	High Similarity	NPD5006	Approved
0.8656	High Similarity	NPD5005	Approved
0.8441	Intermediate Similarity	NPD4420	Approved
0.8214	Intermediate Similarity	NPD4584	Approved
0.8212	Intermediate Similarity	NPD5312	Approved
0.8212	Intermediate Similarity	NPD5313	Approved
0.8156	Intermediate Similarity	NPD8251	Approved
0.8156	Intermediate Similarity	NPD8252	Approved
0.8156	Intermediate Similarity	NPD8099	Discontinued
0.8111	Intermediate Similarity	NPD8156	Discontinued
0.8063	Intermediate Similarity	NPD7501	Clinical (unspecified phase)
0.8043	Intermediate Similarity	NPD6618	Phase 2
0.8012	Intermediate Similarity	NPD3639	Approved
0.8012	Intermediate Similarity	NPD3641	Approved
0.8012	Intermediate Similarity	NPD3640	Phase 3
0.7857	Intermediate Similarity	NPD4664	Clinical (unspecified phase)
0.7853	Intermediate Similarity	NPD7667	Clinical (unspecified phase)
0.7853	Intermediate Similarity	NPD6788	Approved
0.7849	Intermediate Similarity	NPD8054	Approved
0.7849	Intermediate Similarity	NPD8053	Approved
0.7819	Intermediate Similarity	NPD7291	Discontinued
0.7797	Intermediate Similarity	NPD5978	Approved
0.7797	Intermediate Similarity	NPD5977	Approved
0.779	Intermediate Similarity	NPD5242	Approved
0.7771	Intermediate Similarity	NPD1337	Clinical (unspecified phase)
0.7634	Intermediate Similarity	NPD6297	Approved
0.7627	Intermediate Similarity	NPD7109	Clinical (unspecified phase)
0.7627	Intermediate Similarity	NPD7110	Phase 1
0.7552	Intermediate Similarity	NPD5525	Clinical (unspecified phase)
0.7541	Intermediate Similarity	NPD4166	Phase 2
0.7528	Intermediate Similarity	NPD6386	Approved
0.7528	Intermediate Similarity	NPD6385	Approved
0.7513	Intermediate Similarity	NPD5457	Discontinued
0.75	Intermediate Similarity	NPD5071	Phase 2
0.75	Intermediate Similarity	NPD6662	Clinical (unspecified phase)
0.7487	Intermediate Similarity	NPD7064	Clinical (unspecified phase)
0.7486	Intermediate Similarity	NPD7298	Approved
0.7474	Intermediate Similarity	NPD6853	Approved
0.7474	Intermediate Similarity	NPD6851	Approved
0.7461	Intermediate Similarity	NPD3808	Clinical (unspecified phase)
0.7449	Intermediate Similarity	NPD5564	Approved
0.7433	Intermediate Similarity	NPD6020	Phase 2
0.7421	Intermediate Similarity	NPD2968	Approved
0.7421	Intermediate Similarity	NPD2971	Approved
0.7416	Intermediate Similarity	NPD824	Approved
0.7391	Intermediate Similarity	NPD6107	Approved
0.7386	Intermediate Similarity	NPD1424	Approved
0.7381	Intermediate Similarity	NPD6997	Phase 2
0.738	Intermediate Similarity	NPD5940	Clinical (unspecified phase)
0.7374	Intermediate Similarity	NPD6875	Approved
0.7374	Intermediate Similarity	NPD8095	Phase 1
0.7374	Intermediate Similarity	NPD6876	Approved
0.7368	Intermediate Similarity	NPD4419	Clinical (unspecified phase)
0.736	Intermediate Similarity	NPD2975	Approved
0.736	Intermediate Similarity	NPD2974	Approved
0.736	Intermediate Similarity	NPD2973	Approved
0.734	Intermediate Similarity	NPD3050	Clinical (unspecified phase)
0.733	Intermediate Similarity	NPD3534	Clinical (unspecified phase)
0.7321	Intermediate Similarity	NPD2899	Discontinued
0.7318	Intermediate Similarity	NPD7261	Clinical (unspecified phase)
0.7318	Intermediate Similarity	NPD4017	Approved
0.7314	Intermediate Similarity	NPD5307	Clinical (unspecified phase)
0.7294	Intermediate Similarity	NPD7048	Phase 3
0.7253	Intermediate Similarity	NPD4585	Approved
0.725	Intermediate Similarity	NPD4107	Approved
0.725	Intermediate Similarity	NPD4580	Approved
0.7243	Intermediate Similarity	NPD5494	Approved
0.7241	Intermediate Similarity	NPD7607	Clinical (unspecified phase)
0.724	Intermediate Similarity	NPD7281	Phase 3
0.724	Intermediate Similarity	NPD6146	Clinical (unspecified phase)
0.724	Intermediate Similarity	NPD7280	Phase 3
0.7238	Intermediate Similarity	NPD4773	Phase 2
0.7238	Intermediate Similarity	NPD4772	Phase 2
0.7235	Intermediate Similarity	NPD6625	Approved
0.7232	Intermediate Similarity	NPD5297	Approved
0.7231	Intermediate Similarity	NPD6377	Clinical (unspecified phase)
0.7228	Intermediate Similarity	NPD4055	Discovery
0.7214	Intermediate Similarity	NPD3450	Approved
0.7214	Intermediate Similarity	NPD2493	Approved
0.7214	Intermediate Similarity	NPD3452	Approved
0.7214	Intermediate Similarity	NPD2494	Approved
0.7213	Intermediate Similarity	NPD5353	Approved
0.7211	Intermediate Similarity	NPD5441	Clinical (unspecified phase)
0.7206	Intermediate Similarity	NPD6973	Clinical (unspecified phase)
0.72	Intermediate Similarity	NPD2654	Approved
0.7188	Intermediate Similarity	NPD7132	Clinical (unspecified phase)
0.7181	Intermediate Similarity	NPD2898	Approved
0.7181	Intermediate Similarity	NPD4481	Phase 3
0.7177	Intermediate Similarity	NPD7047	Phase 3
0.7175	Intermediate Similarity	NPD7124	Phase 2
0.717	Intermediate Similarity	NPD7907	Approved
0.7168	Intermediate Similarity	NPD6028	Clinical (unspecified phase)
0.7168	Intermediate Similarity	NPD6029	Clinical (unspecified phase)
0.7164	Intermediate Similarity	NPD7255	Clinical (unspecified phase)
0.7158	Intermediate Similarity	NPD6668	Clinical (unspecified phase)
0.7156	Intermediate Similarity	NPD7942	Clinical (unspecified phase)
0.7151	Intermediate Similarity	NPD5677	Discontinued
0.715	Intermediate Similarity	NPD4078	Clinical (unspecified phase)
0.7129	Intermediate Similarity	NPD4482	Phase 3
0.7128	Intermediate Similarity	NPD4084	Clinical (unspecified phase)
0.7111	Intermediate Similarity	NPD6031	Approved
0.7111	Intermediate Similarity	NPD6030	Approved
0.7108	Intermediate Similarity	NPD4582	Approved
0.7108	Intermediate Similarity	NPD4583	Approved
0.7107	Intermediate Similarity	NPD2488	Approved
0.7107	Intermediate Similarity	NPD2490	Approved
0.7094	Intermediate Similarity	NPD3057	Approved
0.7081	Intermediate Similarity	NPD5019	Clinical (unspecified phase)
0.7079	Intermediate Similarity	NPD160	Clinical (unspecified phase)
0.7075	Intermediate Similarity	NPD4665	Approved
0.7075	Intermediate Similarity	NPD4111	Phase 1
0.7074	Intermediate Similarity	NPD6232	Discontinued
0.7065	Intermediate Similarity	NPD6818	Clinical (unspecified phase)
0.7059	Intermediate Similarity	NPD7201	Clinical (unspecified phase)
0.7059	Intermediate Similarity	NPD4004	Approved
0.7059	Intermediate Similarity	NPD4002	Approved
0.7053	Intermediate Similarity	NPD3446	Phase 1
0.705	Intermediate Similarity	NPD6834	Approved
0.7049	Intermediate Similarity	NPD5090	Approved
0.7049	Intermediate Similarity	NPD6873	Phase 2
0.7049	Intermediate Similarity	NPD5089	Approved
0.7042	Intermediate Similarity	NPD7858	Clinical (unspecified phase)
0.7041	Intermediate Similarity	NPD3863	Clinical (unspecified phase)
0.7039	Intermediate Similarity	NPD7584	Approved
0.7037	Intermediate Similarity	NPD8051	Clinical (unspecified phase)
0.7027	Intermediate Similarity	NPD5967	Approved
0.7016	Intermediate Similarity	NPD7177	Discontinued
0.7011	Intermediate Similarity	NPD1934	Approved
0.7011	Intermediate Similarity	NPD6844	Discontinued
0.701	Intermediate Similarity	NPD3533	Approved
0.701	Intermediate Similarity	NPD8453	Clinical (unspecified phase)
0.701	Intermediate Similarity	NPD2972	Approved
0.701	Intermediate Similarity	NPD7549	Discontinued
0.7005	Intermediate Similarity	NPD6608	Clinical (unspecified phase)
0.7	Intermediate Similarity	NPD6894	Phase 1
0.7	Intermediate Similarity	NPD4363	Phase 3
0.7	Intermediate Similarity	NPD4360	Phase 2
0.6986	Remote Similarity	NPD5676	Approved
0.6984	Remote Similarity	NPD3051	Approved
0.6984	Remote Similarity	NPD6071	Discontinued
0.6982	Remote Similarity	NPD4846	Phase 2
0.6973	Remote Similarity	NPD2801	Approved
0.6965	Remote Similarity	NPD4362	Clinical (unspecified phase)
0.6965	Remote Similarity	NPD4361	Phase 2
0.6963	Remote Similarity	NPD7473	Discontinued
0.6952	Remote Similarity	NPD1307	Phase 2
0.6952	Remote Similarity	NPD1309	Phase 2
0.695	Remote Similarity	NPD6181	Discontinued
0.6947	Remote Similarity	NPD2970	Approved
0.6947	Remote Similarity	NPD2969	Approved
0.6946	Remote Similarity	NPD7811	Phase 3
0.6946	Remote Similarity	NPD7810	Phase 3
0.6944	Remote Similarity	NPD3124	Discontinued
0.694	Remote Similarity	NPD4005	Discontinued
0.6939	Remote Similarity	NPD7090	Clinical (unspecified phase)
0.6935	Remote Similarity	NPD2560	Approved
0.6935	Remote Similarity	NPD2563	Approved
0.6934	Remote Similarity	NPD8149	Discontinued
0.6931	Remote Similarity	NPD6621	Clinical (unspecified phase)
0.6927	Remote Similarity	NPD3448	Approved
0.6927	Remote Similarity	NPD2491	Approved
0.6923	Remote Similarity	NPD7190	Clinical (unspecified phase)
0.6923	Remote Similarity	NPD1670	Discontinued
0.6923	Remote Similarity	NPD7701	Phase 2
0.6919	Remote Similarity	NPD5718	Phase 2
0.6911	Remote Similarity	NPD6166	Phase 2
0.6911	Remote Similarity	NPD6167	Clinical (unspecified phase)
0.6911	Remote Similarity	NPD6168	Clinical (unspecified phase)
0.6895	Remote Similarity	NPD5183	Approved
0.6895	Remote Similarity	NPD5710	Approved
0.6895	Remote Similarity	NPD4010	Discontinued
0.6895	Remote Similarity	NPD5711	Approved
0.6895	Remote Similarity	NPD5186	Approved
0.6889	Remote Similarity	NPD6884	Clinical (unspecified phase)
0.6884	Remote Similarity	NPD5896	Clinical (unspecified phase)
0.6882	Remote Similarity	NPD2393	Clinical (unspecified phase)
0.6878	Remote Similarity	NPD2904	Discontinued
0.6872	Remote Similarity	NPD7225	Discontinued
0.6866	Remote Similarity	NPD5619	Clinical (unspecified phase)
0.6863	Remote Similarity	NPD8285	Discontinued
0.6862	Remote Similarity	NPD8005	Clinical (unspecified phase)
0.686	Remote Similarity	NPD2669	Clinical (unspecified phase)
0.6857	Remote Similarity	NPD4997	Clinical (unspecified phase)
0.6853	Remote Similarity	NPD6021	Clinical (unspecified phase)
0.6851	Remote Similarity	NPD4357	Discontinued
0.6845	Remote Similarity	NPD3817	Phase 2
0.6845	Remote Similarity	NPD5616	Clinical (unspecified phase)
0.6844	Remote Similarity	NPD7885	Phase 2
0.6844	Remote Similarity	NPD7886	Phase 2
0.6842	Remote Similarity	NPD7802	Discontinued
0.6834	Remote Similarity	NPD7906	Approved
0.6833	Remote Similarity	NPD5241	Discontinued
0.6832	Remote Similarity	NPD3473	Clinical (unspecified phase)
0.6832	Remote Similarity	NPD4413	Clinical (unspecified phase)
0.6828	Remote Similarity	NPD7248	Discontinued
0.6823	Remote Similarity	NPD2489	Approved
0.6823	Remote Similarity	NPD27	Approved
0.6821	Remote Similarity	NPD6996	Clinical (unspecified phase)
0.6818	Remote Similarity	NPD743	Approved
0.6818	Remote Similarity	NPD2200	Suspended

Structure

NPC208890 OpenBabel07101718182D 29 32 0 0 1 0 0 0 0 0999 V2000 -4.3301 1.5000 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 4.3301 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5981 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4641 -1.0000 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 0.8660 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 -1.5000 0.0000 C 0 0 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 -1.7321 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.0000 0.0000 C 0 0 1 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 1.7321 -3.0000 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 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5981 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 -2.5000 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 0.0000 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3301 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 -4.0000 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 -2.5981 1.5000 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 1 25 1 0 0 0 0 2 26 1 0 0 0 0 3 27 1 0 0 0 0 4 28 1 0 0 0 0 5 29 1 0 0 0 0 6 7 2 0 0 0 0 6 12 1 0 0 0 0 7 16 1 0 0 0 0 8 9 1 0 0 0 0 8 13 1 0 0 0 0 9 23 1 0 0 0 0 10 12 1 0 0 0 0 11 14 2 0 0 0 0 11 17 1 0 0 0 0 12 18 2 0 0 0 0 13 14 1 0 0 0 0 13 19 2 0 0 0 0 14 15 1 0 0 0 0 15 10 1 6 0 0 0 15 23 1 0 0 0 0 16 20 2 0 0 0 0 16 25 1 0 0 0 0 17 21 2 0 0 0 0 17 26 1 0 0 0 0 18 20 1 0 0 0 0 18 22 1 0 0 0 0 19 21 1 0 0 0 0 19 27 1 0 0 0 0 20 28 1 0 0 0 0 21 29 1 0 0 0 0 22 23 1 0 0 0 0 22 24 2 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	11361546
ChEMBL	CHEMBL519380
ZINC

Physicochemical Properties

Molecular Weight:	399.17
ALogP:	-0.6146
MLogP:	3.11
XLogP:	1.731
# Rotatable Bonds:	10
Polar Surface Area:	66.46
# H-Bond Aceptor:	2
# H-Bond Donor:	0
# Rings:	4
# Heavy Atoms:	29

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