NPASS Natural Product

Natural Product: NPC10871

Natural Product ID:	NPC10871
Common Name:	n.a.
IUPAC Name:
Synonyms:
Molecular Formula:	C38H42N2O7
Standard InCHIKey:	XOKSQIGOCSEXEF-NGYPEZQGSA-N
Standard InCHI:	InChI=1S/C38H42N2O7/c1-39-15-13-26-21-35(44-5)37(45-6)38-36(26)29(39)17-24-9-12-31(42-3)33(19-24)46-27-10-7-23(8-11-27)18-30-28-22-34(47-38)32(43-4)20-25(28)14-16-40(30,2)41/h7-12,19-22,29-30H,13-18H2,1-6H3/t29-,30-,40?/m0/s1
Canonical SMILES:	COc1c(OC)cc2c3c1Oc1cc4c(cc1OC)CCN(=O)([C@H]4Cc1ccc(Oc4cc(C[C@@H]3N(CC2)C)ccc4OC)cc1)C
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
NPO3849	Cyclea barbata	Species	Menispermaceae	Eukaryota	roots			PMID[8289066]

Biological Activity

Activity Type	# Activity
ED50	1
IC50	2

Activity Type	# Activity
Cell Line	1
Organism	2

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT91	Cell Line	KB	Homo sapiens	ED50	>	31300	nM	21875800
NPT6	Organism	Plasmodium falciparum	Plasmodium falciparum	IC50	=	1980	nM	21875800
NPT6	Organism	Plasmodium falciparum	Plasmodium falciparum	IC50	=	948	nM	14643329

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 NPC10871 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	330
0.1-0.2	1339
0.2-0.3	5974
0.3-0.4	7602
0.4-0.5	4720
0.5-0.6	8260
0.6-0.7	2186
0.7-0.8	360
0.8-0.85	60
0.85-0.9	49
0.9-0.95	9
0.95-1	0

Similarity Score	Similarity Level	Natural Product ID
0.903	High Similarity	NPC76682
0.903	High Similarity	NPC317439
0.903	High Similarity	NPC115284
0.903	High Similarity	NPC63646
0.903	High Similarity	NPC276890
0.903	High Similarity	NPC227060
0.903	High Similarity	NPC10908
0.903	High Similarity	NPC317145
0.903	High Similarity	NPC198498
0.8976	High Similarity	NPC129518
0.8976	High Similarity	NPC12424
0.8976	High Similarity	NPC251580
0.8976	High Similarity	NPC41376
0.8908	High Similarity	NPC471113
0.8869	High Similarity	NPC293093
0.8765	High Similarity	NPC243454
0.8765	High Similarity	NPC475479
0.8713	High Similarity	NPC239584
0.8663	High Similarity	NPC251735
0.8663	High Similarity	NPC104196
0.8663	High Similarity	NPC73492
0.8663	High Similarity	NPC328155
0.8663	High Similarity	NPC15414
0.8663	High Similarity	NPC222661
0.8663	High Similarity	NPC42663
0.8663	High Similarity	NPC271013
0.8663	High Similarity	NPC7715
0.8663	High Similarity	NPC239824
0.8663	High Similarity	NPC54654
0.8663	High Similarity	NPC279228
0.8663	High Similarity	NPC185639
0.8663	High Similarity	NPC299990
0.8663	High Similarity	NPC49075
0.8663	High Similarity	NPC229373
0.8663	High Similarity	NPC217748
0.8663	High Similarity	NPC90998
0.8663	High Similarity	NPC182052
0.8663	High Similarity	NPC290005
0.8663	High Similarity	NPC311973
0.8663	High Similarity	NPC290582
0.8663	High Similarity	NPC285931
0.8663	High Similarity	NPC8836
0.8663	High Similarity	NPC223690
0.8663	High Similarity	NPC258657
0.8663	High Similarity	NPC181796
0.8613	High Similarity	NPC254441
0.8613	High Similarity	NPC167116
0.8613	High Similarity	NPC274716
0.8605	High Similarity	NPC286119
0.8563	High Similarity	NPC95426
0.8563	High Similarity	NPC302245
0.8563	High Similarity	NPC16357
0.8555	High Similarity	NPC30779
0.8514	High Similarity	NPC116465
0.8514	High Similarity	NPC212237
0.8514	High Similarity	NPC139783
0.8514	High Similarity	NPC65312
0.8506	High Similarity	NPC302275
0.8466	Intermediate Similarity	NPC275680
0.8466	Intermediate Similarity	NPC22115
0.8457	Intermediate Similarity	NPC249996
0.8452	Intermediate Similarity	NPC13916
0.8452	Intermediate Similarity	NPC264850
0.8418	Intermediate Similarity	NPC274661
0.8418	Intermediate Similarity	NPC11296
0.8418	Intermediate Similarity	NPC82457
0.8418	Intermediate Similarity	NPC206900
0.8418	Intermediate Similarity	NPC175890
0.8418	Intermediate Similarity	NPC48490
0.8418	Intermediate Similarity	NPC281581
0.8405	Intermediate Similarity	NPC470924
0.8393	Intermediate Similarity	NPC24465
0.8391	Intermediate Similarity	NPC195538
0.8371	Intermediate Similarity	NPC60295
0.8371	Intermediate Similarity	NPC191132
0.8371	Intermediate Similarity	NPC473716
0.8371	Intermediate Similarity	NPC475597
0.8364	Intermediate Similarity	NPC247639
0.8364	Intermediate Similarity	NPC25084
0.8353	Intermediate Similarity	NPC83198
0.8353	Intermediate Similarity	NPC204908
0.8343	Intermediate Similarity	NPC476202
0.8324	Intermediate Similarity	NPC24260
0.8323	Intermediate Similarity	NPC51957
0.8323	Intermediate Similarity	NPC106295
0.8323	Intermediate Similarity	NPC16107
0.8323	Intermediate Similarity	NPC210437
0.8323	Intermediate Similarity	NPC476144
0.8305	Intermediate Similarity	NPC47077
0.8305	Intermediate Similarity	NPC14507
0.8293	Intermediate Similarity	NPC37272
0.8278	Intermediate Similarity	NPC256124
0.8272	Intermediate Similarity	NPC7467
0.8222	Intermediate Similarity	NPC478093
0.8208	Intermediate Similarity	NPC152680
0.8208	Intermediate Similarity	NPC232386
0.8208	Intermediate Similarity	NPC190783
0.8177	Intermediate Similarity	NPC473589
0.8177	Intermediate Similarity	NPC478091
0.8177	Intermediate Similarity	NPC30182
0.8177	Intermediate Similarity	NPC478092
0.8144	Intermediate Similarity	NPC477133
0.8144	Intermediate Similarity	NPC477132
0.8118	Intermediate Similarity	NPC475393
0.8092	Intermediate Similarity	NPC75958
0.8077	Intermediate Similarity	NPC85381
0.8075	Intermediate Similarity	NPC136860
0.8075	Intermediate Similarity	NPC476567
0.8075	Intermediate Similarity	NPC128019
0.8066	Intermediate Similarity	NPC41122
0.8066	Intermediate Similarity	NPC318805
0.8054	Intermediate Similarity	NPC475654
0.8023	Intermediate Similarity	NPC268503
0.8023	Intermediate Similarity	NPC250846
0.8023	Intermediate Similarity	NPC42549
0.8023	Intermediate Similarity	NPC256012
0.8023	Intermediate Similarity	NPC317272
0.8023	Intermediate Similarity	NPC240841
0.7989	Intermediate Similarity	NPC234318
0.7976	Intermediate Similarity	NPC184026
0.7976	Intermediate Similarity	NPC278799
0.7976	Intermediate Similarity	NPC193949
0.7976	Intermediate Similarity	NPC2413
0.7976	Intermediate Similarity	NPC127674
0.7976	Intermediate Similarity	NPC276588
0.7976	Intermediate Similarity	NPC207757
0.7976	Intermediate Similarity	NPC54379
0.7976	Intermediate Similarity	NPC204828
0.7976	Intermediate Similarity	NPC249797
0.7976	Intermediate Similarity	NPC189266
0.7976	Intermediate Similarity	NPC41178
0.7976	Intermediate Similarity	NPC123323
0.7976	Intermediate Similarity	NPC469817
0.7976	Intermediate Similarity	NPC5238
0.7976	Intermediate Similarity	NPC39701
0.7976	Intermediate Similarity	NPC216459
0.7976	Intermediate Similarity	NPC295691
0.7976	Intermediate Similarity	NPC172765
0.7976	Intermediate Similarity	NPC138487
0.7976	Intermediate Similarity	NPC110416
0.795	Intermediate Similarity	NPC474915
0.795	Intermediate Similarity	NPC213206
0.795	Intermediate Similarity	NPC328750
0.795	Intermediate Similarity	NPC188163
0.7929	Intermediate Similarity	NPC323443
0.7929	Intermediate Similarity	NPC180756
0.7929	Intermediate Similarity	NPC146288
0.7926	Intermediate Similarity	NPC254581
0.7888	Intermediate Similarity	NPC314682
0.7882	Intermediate Similarity	NPC476572
0.7882	Intermediate Similarity	NPC475326
0.7874	Intermediate Similarity	NPC204947
0.787	Intermediate Similarity	NPC99659
0.787	Intermediate Similarity	NPC187022
0.787	Intermediate Similarity	NPC80129
0.787	Intermediate Similarity	NPC325871
0.7841	Intermediate Similarity	NPC149090
0.7841	Intermediate Similarity	NPC19520
0.7841	Intermediate Similarity	NPC239775
0.7833	Intermediate Similarity	NPC233718
0.7831	Intermediate Similarity	NPC37144
0.7831	Intermediate Similarity	NPC59907
0.7824	Intermediate Similarity	NPC31311
0.7824	Intermediate Similarity	NPC234392
0.7821	Intermediate Similarity	NPC244554
0.7798	Intermediate Similarity	NPC476579
0.7784	Intermediate Similarity	NPC44869
0.7784	Intermediate Similarity	NPC168753
0.7784	Intermediate Similarity	NPC118274
0.7784	Intermediate Similarity	NPC329911
0.7771	Intermediate Similarity	NPC476151
0.776	Intermediate Similarity	NPC208890
0.7759	Intermediate Similarity	NPC180306
0.7758	Intermediate Similarity	NPC130926
0.7753	Intermediate Similarity	NPC49353
0.774	Intermediate Similarity	NPC108434
0.774	Intermediate Similarity	NPC475215
0.7738	Intermediate Similarity	NPC97221
0.7738	Intermediate Similarity	NPC151895
0.7738	Intermediate Similarity	NPC192768
0.7738	Intermediate Similarity	NPC220858
0.7738	Intermediate Similarity	NPC88249
0.7733	Intermediate Similarity	NPC216816
0.7727	Intermediate Similarity	NPC160570
0.7716	Intermediate Similarity	NPC210086
0.7711	Intermediate Similarity	NPC473934
0.7709	Intermediate Similarity	NPC241704
0.7697	Intermediate Similarity	NPC2314
0.7692	Intermediate Similarity	NPC81733
0.7692	Intermediate Similarity	NPC326316
0.7688	Intermediate Similarity	NPC205255
0.7688	Intermediate Similarity	NPC235143
0.7688	Intermediate Similarity	NPC230956
0.7688	Intermediate Similarity	NPC271388
0.7688	Intermediate Similarity	NPC119649
0.7679	Intermediate Similarity	NPC477565
0.7679	Intermediate Similarity	NPC92541
0.7679	Intermediate Similarity	NPC103379
0.7667	Intermediate Similarity	NPC477560
0.7661	Intermediate Similarity	NPC244112

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC10871 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	208
0.1-0.2	803
0.2-0.3	1112
0.3-0.4	2539
0.4-0.5	2451
0.5-0.6	1524
0.6-0.7	445
0.7-0.8	70
0.8-0.85	3
0.85-0.9	3
0.9-0.95	3
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.903	High Similarity	NPD8251	Approved
0.903	High Similarity	NPD8099	Discontinued
0.903	High Similarity	NPD8252	Approved
0.8976	High Similarity	NPD8156	Discontinued
0.8663	High Similarity	NPD8053	Approved
0.8663	High Similarity	NPD8054	Approved
0.8323	Intermediate Similarity	NPD4584	Approved
0.8098	Intermediate Similarity	NPD8095	Phase 1
0.8047	Intermediate Similarity	NPD6788	Approved
0.795	Intermediate Similarity	NPD4664	Clinical (unspecified phase)
0.7917	Intermediate Similarity	NPD4773	Phase 2
0.7917	Intermediate Similarity	NPD4772	Phase 2
0.787	Intermediate Similarity	NPD7298	Approved
0.7816	Intermediate Similarity	NPD6071	Discontinued
0.7771	Intermediate Similarity	NPD1424	Approved
0.7588	Intermediate Similarity	NPD7261	Clinical (unspecified phase)
0.7582	Intermediate Similarity	NPD7312	Approved
0.7582	Intermediate Similarity	NPD7311	Approved
0.7582	Intermediate Similarity	NPD7310	Approved
0.7582	Intermediate Similarity	NPD7313	Approved
0.7574	Intermediate Similarity	NPD3640	Phase 3
0.7574	Intermediate Similarity	NPD3641	Approved
0.7574	Intermediate Similarity	NPD3639	Approved
0.7572	Intermediate Similarity	NPD2560	Approved
0.7572	Intermediate Similarity	NPD2563	Approved
0.7557	Intermediate Similarity	NPD6107	Approved
0.7546	Intermediate Similarity	NPD6029	Clinical (unspecified phase)
0.7546	Intermediate Similarity	NPD6028	Clinical (unspecified phase)
0.7541	Intermediate Similarity	NPD7309	Approved
0.7528	Intermediate Similarity	NPD4481	Phase 3
0.7485	Intermediate Similarity	NPD5307	Clinical (unspecified phase)
0.7472	Intermediate Similarity	NPD2970	Approved
0.7472	Intermediate Similarity	NPD2969	Approved
0.7471	Intermediate Similarity	NPD6030	Approved
0.7471	Intermediate Similarity	NPD6031	Approved
0.744	Intermediate Similarity	NPD7124	Phase 2
0.7432	Intermediate Similarity	NPD8453	Clinical (unspecified phase)
0.7419	Intermediate Similarity	NPD7906	Approved
0.7416	Intermediate Similarity	NPD3051	Approved
0.7401	Intermediate Similarity	NPD5677	Discontinued
0.7384	Intermediate Similarity	NPD4017	Approved
0.7378	Intermediate Similarity	NPD2200	Suspended
0.7333	Intermediate Similarity	NPD27	Approved
0.7333	Intermediate Similarity	NPD2489	Approved
0.7314	Intermediate Similarity	NPD6818	Clinical (unspecified phase)
0.7308	Intermediate Similarity	NPD5313	Approved
0.7308	Intermediate Similarity	NPD5312	Approved
0.7294	Intermediate Similarity	NPD3124	Discontinued
0.7288	Intermediate Similarity	NPD4055	Discovery
0.7277	Intermediate Similarity	NPD7667	Clinical (unspecified phase)
0.7251	Intermediate Similarity	NPD1754	Clinical (unspecified phase)
0.7207	Intermediate Similarity	NPD7201	Clinical (unspecified phase)
0.7191	Intermediate Similarity	NPD7833	Phase 2
0.7191	Intermediate Similarity	NPD7832	Clinical (unspecified phase)
0.7191	Intermediate Similarity	NPD7831	Phase 2
0.7178	Intermediate Similarity	NPD5718	Phase 2
0.7169	Intermediate Similarity	NPD6111	Discontinued
0.7167	Intermediate Similarity	NPD7802	Discontinued
0.716	Intermediate Similarity	NPD5752	Clinical (unspecified phase)
0.7143	Intermediate Similarity	NPD5005	Approved
0.7143	Intermediate Similarity	NPD5006	Approved
0.7143	Intermediate Similarity	NPD2898	Approved
0.7127	Intermediate Similarity	NPD4166	Phase 2
0.7119	Intermediate Similarity	NPD4585	Approved
0.7117	Intermediate Similarity	NPD2669	Clinical (unspecified phase)
0.7112	Intermediate Similarity	NPD4577	Approved
0.7112	Intermediate Similarity	NPD4578	Approved
0.709	Intermediate Similarity	NPD4663	Approved
0.7059	Intermediate Similarity	NPD7549	Discontinued
0.7052	Intermediate Similarity	NPD7447	Phase 1
0.7045	Intermediate Similarity	NPD4678	Approved
0.7045	Intermediate Similarity	NPD4675	Approved
0.703	Intermediate Similarity	NPD4474	Approved
0.703	Intermediate Similarity	NPD4475	Approved
0.7022	Intermediate Similarity	NPD5773	Approved
0.7022	Intermediate Similarity	NPD5772	Approved
0.7021	Intermediate Similarity	NPD2971	Approved
0.7021	Intermediate Similarity	NPD2968	Approved
0.7018	Intermediate Similarity	NPD6748	Discontinued
0.6994	Remote Similarity	NPD7598	Phase 2
0.6989	Remote Similarity	NPD4005	Discontinued
0.6974	Remote Similarity	NPD6621	Clinical (unspecified phase)
0.6971	Remote Similarity	NPD2122	Discontinued
0.6964	Remote Similarity	NPD6896	Approved
0.6964	Remote Similarity	NPD6895	Approved
0.6952	Remote Similarity	NPD6996	Clinical (unspecified phase)
0.694	Remote Similarity	NPD4010	Discontinued
0.6939	Remote Similarity	NPD4420	Approved
0.6919	Remote Similarity	NPD7466	Approved
0.6914	Remote Similarity	NPD3647	Clinical (unspecified phase)
0.691	Remote Similarity	NPD5090	Approved
0.691	Remote Similarity	NPD5089	Approved
0.6906	Remote Similarity	NPD7975	Clinical (unspecified phase)
0.6901	Remote Similarity	NPD7045	Clinical (unspecified phase)
0.6897	Remote Similarity	NPD7213	Phase 3
0.6897	Remote Similarity	NPD7837	Clinical (unspecified phase)
0.6897	Remote Similarity	NPD7212	Phase 2
0.6893	Remote Similarity	NPD8158	Clinical (unspecified phase)
0.6888	Remote Similarity	NPD2974	Approved
0.6888	Remote Similarity	NPD2973	Approved
0.6888	Remote Similarity	NPD2975	Approved
0.6879	Remote Similarity	NPD5241	Discontinued
0.6878	Remote Similarity	NPD7132	Clinical (unspecified phase)
0.6875	Remote Similarity	NPD7291	Discontinued
0.6863	Remote Similarity	NPD5676	Approved
0.6836	Remote Similarity	NPD4210	Discontinued
0.6834	Remote Similarity	NPD4482	Phase 3
0.6828	Remote Similarity	NPD5602	Clinical (unspecified phase)
0.6821	Remote Similarity	NPD6658	Clinical (unspecified phase)
0.6806	Remote Similarity	NPD6853	Approved
0.6806	Remote Similarity	NPD6851	Approved
0.68	Remote Similarity	NPD1774	Approved
0.68	Remote Similarity	NPD5297	Approved
0.6784	Remote Similarity	NPD4107	Approved
0.6784	Remote Similarity	NPD4580	Approved
0.6782	Remote Similarity	NPD5084	Clinical (unspecified phase)
0.6782	Remote Similarity	NPD3692	Discontinued
0.678	Remote Similarity	NPD5976	Discontinued
0.6772	Remote Similarity	NPD6297	Approved
0.6763	Remote Similarity	NPD5177	Phase 3
0.6763	Remote Similarity	NPD4236	Phase 3
0.6763	Remote Similarity	NPD4237	Approved
0.6761	Remote Similarity	NPD4123	Phase 3
0.6758	Remote Similarity	NPD4581	Clinical (unspecified phase)
0.675	Remote Similarity	NPD2493	Approved
0.675	Remote Similarity	NPD3450	Approved
0.675	Remote Similarity	NPD2494	Approved
0.675	Remote Similarity	NPD3452	Approved
0.6743	Remote Similarity	NPD6783	Clinical (unspecified phase)
0.674	Remote Similarity	NPD6668	Clinical (unspecified phase)
0.6738	Remote Similarity	NPD3489	Phase 3
0.6735	Remote Similarity	NPD7125	Discontinued
0.6722	Remote Similarity	NPD6072	Discontinued
0.6722	Remote Similarity	NPD7109	Clinical (unspecified phase)
0.6722	Remote Similarity	NPD7110	Phase 1
0.672	Remote Similarity	NPD5242	Approved
0.672	Remote Similarity	NPD6688	Approved
0.672	Remote Similarity	NPD6687	Approved
0.6719	Remote Similarity	NPD6618	Phase 2
0.6718	Remote Similarity	NPD2488	Approved
0.6718	Remote Similarity	NPD2490	Approved
0.6716	Remote Similarity	NPD2972	Approved
0.6716	Remote Similarity	NPD3533	Approved
0.6705	Remote Similarity	NPD2421	Approved
0.6705	Remote Similarity	NPD2420	Approved
0.67	Remote Similarity	NPD7501	Clinical (unspecified phase)
0.6686	Remote Similarity	NPD3110	Approved
0.6686	Remote Similarity	NPD3109	Approved
0.6685	Remote Similarity	NPD3384	Approved
0.6685	Remote Similarity	NPD3382	Approved
0.6685	Remote Similarity	NPD5720	Discontinued
0.6685	Remote Similarity	NPD3383	Approved
0.6667	Remote Similarity	NPD4162	Approved
0.6667	Remote Similarity	NPD1337	Clinical (unspecified phase)
0.6651	Remote Similarity	NPD7907	Approved
0.665	Remote Similarity	NPD4582	Approved
0.665	Remote Similarity	NPD4583	Approved
0.6647	Remote Similarity	NPD3656	Approved
0.6634	Remote Similarity	NPD2491	Approved
0.6634	Remote Similarity	NPD3448	Approved
0.6634	Remote Similarity	NPD3057	Approved
0.6629	Remote Similarity	NPD6090	Discontinued
0.6629	Remote Similarity	NPD3977	Clinical (unspecified phase)
0.6629	Remote Similarity	NPD7526	Approved
0.6629	Remote Similarity	NPD52	Approved
0.6629	Remote Similarity	NPD7527	Clinical (unspecified phase)
0.6615	Remote Similarity	NPD6842	Approved
0.6615	Remote Similarity	NPD6843	Phase 3
0.6615	Remote Similarity	NPD6841	Approved
0.6614	Remote Similarity	NPD4498	Clinical (unspecified phase)
0.6612	Remote Similarity	NPD5978	Approved
0.6612	Remote Similarity	NPD5977	Approved
0.6609	Remote Similarity	NPD7153	Discontinued
0.6601	Remote Similarity	NPD4004	Approved
0.6601	Remote Similarity	NPD4002	Approved
0.6593	Remote Similarity	NPD7945	Clinical (unspecified phase)
0.6592	Remote Similarity	NPD6662	Clinical (unspecified phase)
0.6591	Remote Similarity	NPD2677	Approved
0.6588	Remote Similarity	NPD2238	Phase 2
0.658	Remote Similarity	NPD3534	Clinical (unspecified phase)
0.6571	Remote Similarity	NPD7047	Phase 3
0.6566	Remote Similarity	NPD4098	Discontinued
0.6554	Remote Similarity	NPD6667	Approved
0.6554	Remote Similarity	NPD6666	Approved
0.6552	Remote Similarity	NPD7590	Clinical (unspecified phase)
0.6552	Remote Similarity	NPD1375	Discontinued
0.6548	Remote Similarity	NPD5525	Clinical (unspecified phase)
0.6546	Remote Similarity	NPD7090	Clinical (unspecified phase)
0.6542	Remote Similarity	NPD6997	Phase 2
0.6538	Remote Similarity	NPD6385	Approved
0.6538	Remote Similarity	NPD6386	Approved
0.6534	Remote Similarity	NPD5754	Discontinued
0.6527	Remote Similarity	NPD7905	Discontinued
0.6519	Remote Similarity	NPD6357	Discontinued
0.6514	Remote Similarity	NPD1372	Clinical (unspecified phase)
0.6513	Remote Similarity	NPD5087	Clinical (unspecified phase)
0.6512	Remote Similarity	NPD2653	Approved
0.6506	Remote Similarity	NPD8651	Approved
0.6506	Remote Similarity	NPD7258	Clinical (unspecified phase)
0.65	Remote Similarity	NPD6625	Approved

Structure

NPC10871 OpenBabel07101718322D 47 53 0 0 1 0 0 0 0 0999 V2000 -1.6498 -3.5933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4775 2.5193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1959 -0.0766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3642 1.9868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5464 -0.5933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8143 1.4067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3124 0.3666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7858 0.6864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0468 -3.3456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5225 -0.1943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0895 -0.1246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6377 -2.5560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9483 -3.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0759 1.9606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0823 -3.5933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5261 2.0348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3387 -2.3187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4213 1.1427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5132 -2.1887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3338 1.4799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8143 -1.5933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6998 0.9521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9316 0.8290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9368 -2.3517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8532 1.5624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9483 -2.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5390 -0.7931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2415 1.2078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7838 -2.0933 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.8369 1.2736 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1170 -1.8069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0745 1.0224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0054 -1.8474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2705 0.5344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8143 -0.5933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0823 -1.5933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9483 -0.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0823 -0.5933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7838 -3.0933 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8647 1.7290 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8555 1.5935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6570 -0.9190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9233 1.0893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6803 -0.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9483 0.9067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3601 -1.3648 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 39 1 0 0 0 0 2 40 1 0 0 0 0 3 42 1 0 0 0 0 4 43 1 0 0 0 0 5 44 1 0 0 0 0 6 45 1 0 0 0 0 7 10 1 0 0 0 0 7 23 2 0 0 0 0 8 11 2 0 0 0 0 8 23 1 0 0 0 0 9 12 2 0 0 0 0 9 24 1 0 0 0 0 10 27 2 0 0 0 0 11 27 1 0 0 0 0 12 31 1 0 0 0 0 13 15 1 0 0 0 0 13 26 1 0 0 0 0 14 16 1 0 0 0 0 14 25 1 0 0 0 0 15 39 1 0 0 0 0 16 40 1 0 0 0 0 17 24 1 0 0 0 0 18 23 1 0 0 0 0 19 24 2 0 0 0 0 19 33 1 0 0 0 0 20 25 2 0 0 0 0 20 32 1 0 0 0 0 21 26 2 0 0 0 0 21 35 1 0 0 0 0 22 28 2 0 0 0 0 22 34 1 0 0 0 0 25 28 1 0 0 0 0 26 36 1 0 0 0 0 27 46 1 0 0 0 0 28 30 1 0 0 0 0 29 17 1 1 0 0 0 29 36 1 0 0 0 0 29 39 1 0 0 0 0 30 18 1 6 0 0 0 30 40 1 0 0 0 0 31 33 2 0 0 0 0 31 42 1 0 0 0 0 32 34 2 0 0 0 0 32 43 1 0 0 0 0 33 46 1 0 0 0 0 34 47 1 0 0 0 0 35 37 2 0 0 0 0 35 44 1 0 0 0 0 36 38 2 0 0 0 0 37 38 1 0 0 0 0 37 45 1 0 0 0 0 38 47 1 0 0 0 0 40 41 2 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	44559015
ChEMBL	CHEMBL510782
ZINC

Physicochemical Properties

Molecular Weight:	638.30
ALogP:
MLogP:	4.65
XLogP:
# Rotatable Bonds:	10
Polar Surface Area:	75.69
# H-Bond Aceptor:	7
# H-Bond Donor:	0
# Rings:	6
# Heavy Atoms:	47

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