NPASS Natural Product

Natural Product: NPC46990

Natural Product ID:	NPC46990
Common Name:	Cassythic Acid
IUPAC Name:
Synonyms:	cassythic acid
Molecular Formula:	C20H19NO6
Standard InCHIKey:	NUPZSCVEOLWYJE-NSHDSACASA-N
Standard InCHI:	InChI=1S/C20H19NO6/c1-24-12-4-3-9-7-11-14-10(5-6-21-11)17(25-2)19-18(26-8-27-19)16(14)13(9)15(12)20(22)23/h3-4,11,21H,5-8H2,1-2H3,(H,22,23)/t11-/m0/s1
Canonical SMILES:	COc1c2OCOc2c2c3c1CCN[C@H]3Cc1c2c(C(=O)O)c(cc1)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
NPO3079	Cassytha filiformis	Species	Lauraceae	Eukaryota				PMID[18217715]

Biological Activity

Activity Type	# Activity
IC50	1

Activity Type	# Activity
Tissue	1

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT177	Tissue	Aorta	Rattus norvegicus	IC50	=	2480	nM	24547740

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 NPC46990 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	235
0.1-0.2	1151
0.2-0.3	3122
0.3-0.4	7714
0.4-0.5	4926
0.5-0.6	5381
0.6-0.7	7002
0.7-0.8	1273
0.8-0.85	67
0.85-0.9	18
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Natural Product ID
0.8889	High Similarity	NPC469816
0.8889	High Similarity	NPC469815
0.8824	High Similarity	NPC57036
0.8777	High Similarity	NPC476576
0.8777	High Similarity	NPC186546
0.8743	High Similarity	NPC125924
0.871	High Similarity	NPC32413
0.871	High Similarity	NPC474506
0.8703	High Similarity	NPC23219
0.8656	High Similarity	NPC258695
0.8656	High Similarity	NPC470879
0.8649	High Similarity	NPC112575
0.8639	High Similarity	NPC117717
0.8519	High Similarity	NPC135772
0.8511	High Similarity	NPC477561
0.8511	High Similarity	NPC312918
0.8511	High Similarity	NPC155442
0.8511	High Similarity	NPC476574
0.8495	Intermediate Similarity	NPC477558
0.849	Intermediate Similarity	NPC226708
0.8457	Intermediate Similarity	NPC474507
0.8438	Intermediate Similarity	NPC82763
0.8432	Intermediate Similarity	NPC6152
0.8387	Intermediate Similarity	NPC19520
0.8387	Intermediate Similarity	NPC149090
0.8351	Intermediate Similarity	NPC173416
0.8351	Intermediate Similarity	NPC476577
0.8351	Intermediate Similarity	NPC148709
0.8333	Intermediate Similarity	NPC214116
0.8333	Intermediate Similarity	NPC152212
0.8324	Intermediate Similarity	NPC204947
0.8291	Intermediate Similarity	NPC2173
0.8291	Intermediate Similarity	NPC328700
0.8291	Intermediate Similarity	NPC119818
0.8291	Intermediate Similarity	NPC202771
0.8281	Intermediate Similarity	NPC18306
0.8272	Intermediate Similarity	NPC476575
0.827	Intermediate Similarity	NPC304659
0.827	Intermediate Similarity	NPC86144
0.8259	Intermediate Similarity	NPC80472
0.8211	Intermediate Similarity	NPC114364
0.8211	Intermediate Similarity	NPC320223
0.8201	Intermediate Similarity	NPC229166
0.8201	Intermediate Similarity	NPC199465
0.8201	Intermediate Similarity	NPC128560
0.8182	Intermediate Similarity	NPC73020
0.8182	Intermediate Similarity	NPC70290
0.8182	Intermediate Similarity	NPC215098
0.8182	Intermediate Similarity	NPC46744
0.8182	Intermediate Similarity	NPC14622
0.8182	Intermediate Similarity	NPC124302
0.8177	Intermediate Similarity	NPC116284
0.8172	Intermediate Similarity	NPC476432
0.8172	Intermediate Similarity	NPC24264
0.8168	Intermediate Similarity	NPC267408
0.8162	Intermediate Similarity	NPC189470
0.8148	Intermediate Similarity	NPC66341
0.8148	Intermediate Similarity	NPC477020
0.8148	Intermediate Similarity	NPC192135
0.8138	Intermediate Similarity	NPC26240
0.8138	Intermediate Similarity	NPC69712
0.8138	Intermediate Similarity	NPC477562
0.8128	Intermediate Similarity	NPC247389
0.8128	Intermediate Similarity	NPC298979
0.8118	Intermediate Similarity	NPC16805
0.8118	Intermediate Similarity	NPC302527
0.8118	Intermediate Similarity	NPC225774
0.8118	Intermediate Similarity	NPC167546
0.8112	Intermediate Similarity	NPC475754
0.81	Intermediate Similarity	NPC120671
0.81	Intermediate Similarity	NPC226652
0.81	Intermediate Similarity	NPC72788
0.81	Intermediate Similarity	NPC314100
0.8095	Intermediate Similarity	NPC239775
0.8083	Intermediate Similarity	NPC248642
0.8083	Intermediate Similarity	NPC275132
0.8075	Intermediate Similarity	NPC219341
0.8073	Intermediate Similarity	NPC27887
0.8073	Intermediate Similarity	NPC126284
0.8042	Intermediate Similarity	NPC168753
0.8042	Intermediate Similarity	NPC118274
0.8041	Intermediate Similarity	NPC156576
0.804	Intermediate Similarity	NPC24228
0.8032	Intermediate Similarity	NPC210918
0.801	Intermediate Similarity	NPC208890
0.7979	Intermediate Similarity	NPC81247
0.7979	Intermediate Similarity	NPC35627
0.7979	Intermediate Similarity	NPC476573
0.796	Intermediate Similarity	NPC207239
0.7959	Intermediate Similarity	NPC477259
0.7959	Intermediate Similarity	NPC169387
0.7957	Intermediate Similarity	NPC232924
0.7957	Intermediate Similarity	NPC306902
0.7957	Intermediate Similarity	NPC477559
0.7957	Intermediate Similarity	NPC160298
0.7957	Intermediate Similarity	NPC266753
0.7929	Intermediate Similarity	NPC63152
0.7927	Intermediate Similarity	NPC121400
0.7919	Intermediate Similarity	NPC237579
0.79	Intermediate Similarity	NPC477258
0.7895	Intermediate Similarity	NPC241055
0.7892	Intermediate Similarity	NPC126519
0.7892	Intermediate Similarity	NPC203784
0.7892	Intermediate Similarity	NPC170503
0.7884	Intermediate Similarity	NPC223077
0.7884	Intermediate Similarity	NPC56887
0.7884	Intermediate Similarity	NPC193853
0.7868	Intermediate Similarity	NPC474009
0.7843	Intermediate Similarity	NPC286135
0.7842	Intermediate Similarity	NPC12053
0.7842	Intermediate Similarity	NPC81218
0.7842	Intermediate Similarity	NPC158376
0.7842	Intermediate Similarity	NPC117188
0.7842	Intermediate Similarity	NPC205421
0.7842	Intermediate Similarity	NPC145832
0.7842	Intermediate Similarity	NPC474931
0.7842	Intermediate Similarity	NPC306555
0.7835	Intermediate Similarity	NPC118633
0.7835	Intermediate Similarity	NPC294790
0.7835	Intermediate Similarity	NPC148693
0.7831	Intermediate Similarity	NPC209377
0.7831	Intermediate Similarity	NPC306843
0.7831	Intermediate Similarity	NPC212794
0.7831	Intermediate Similarity	NPC96603
0.7831	Intermediate Similarity	NPC13504
0.7831	Intermediate Similarity	NPC477563
0.7831	Intermediate Similarity	NPC196447
0.7831	Intermediate Similarity	NPC253043
0.7831	Intermediate Similarity	NPC136508
0.7831	Intermediate Similarity	NPC78222
0.7828	Intermediate Similarity	NPC166979
0.7822	Intermediate Similarity	NPC83019
0.7789	Intermediate Similarity	NPC281581
0.7784	Intermediate Similarity	NPC241704
0.7778	Intermediate Similarity	NPC324144
0.7772	Intermediate Similarity	NPC204580
0.7766	Intermediate Similarity	NPC475981
0.7766	Intermediate Similarity	NPC116007
0.7766	Intermediate Similarity	NPC474746
0.7754	Intermediate Similarity	NPC476572
0.7744	Intermediate Similarity	NPC327005
0.7742	Intermediate Similarity	NPC325871
0.7742	Intermediate Similarity	NPC99659
0.7737	Intermediate Similarity	NPC168409
0.7736	Intermediate Similarity	NPC38964
0.7734	Intermediate Similarity	NPC193906
0.7734	Intermediate Similarity	NPC23080
0.7723	Intermediate Similarity	NPC470646
0.7723	Intermediate Similarity	NPC33256
0.7713	Intermediate Similarity	NPC7393
0.7704	Intermediate Similarity	NPC32154
0.7689	Intermediate Similarity	NPC290227
0.7688	Intermediate Similarity	NPC230098
0.7684	Intermediate Similarity	NPC1229
0.7673	Intermediate Similarity	NPC256124
0.7672	Intermediate Similarity	NPC166014
0.7672	Intermediate Similarity	NPC27410
0.7671	Intermediate Similarity	NPC315914
0.7664	Intermediate Similarity	NPC82056
0.7653	Intermediate Similarity	NPC240684
0.7641	Intermediate Similarity	NPC329969
0.7632	Intermediate Similarity	NPC125713
0.7629	Intermediate Similarity	NPC303581
0.7629	Intermediate Similarity	NPC67978
0.7629	Intermediate Similarity	NPC471180
0.7624	Intermediate Similarity	NPC24260
0.7624	Intermediate Similarity	NPC478093
0.7614	Intermediate Similarity	NPC474745
0.7614	Intermediate Similarity	NPC220961
0.7608	Intermediate Similarity	NPC157958
0.7608	Intermediate Similarity	NPC11708
0.7604	Intermediate Similarity	NPC264850
0.7604	Intermediate Similarity	NPC13916
0.7604	Intermediate Similarity	NPC195392
0.7602	Intermediate Similarity	NPC222524
0.76	Intermediate Similarity	NPC329790
0.759	Intermediate Similarity	NPC2314
0.7588	Intermediate Similarity	NPC83511
0.7586	Intermediate Similarity	NPC30182
0.7586	Intermediate Similarity	NPC473589
0.7586	Intermediate Similarity	NPC478092
0.7586	Intermediate Similarity	NPC478091
0.7581	Intermediate Similarity	NPC326316
0.7581	Intermediate Similarity	NPC81733
0.7579	Intermediate Similarity	NPC230956
0.7579	Intermediate Similarity	NPC205255
0.7579	Intermediate Similarity	NPC235143
0.7579	Intermediate Similarity	NPC119649
0.7579	Intermediate Similarity	NPC271388
0.7573	Intermediate Similarity	NPC475654
0.7569	Intermediate Similarity	NPC252156
0.7566	Intermediate Similarity	NPC79328
0.7563	Intermediate Similarity	NPC474325
0.756	Intermediate Similarity	NPC475768
0.7552	Intermediate Similarity	NPC238530
0.7552	Intermediate Similarity	NPC232514
0.7552	Intermediate Similarity	NPC24465
0.7552	Intermediate Similarity	NPC276944
0.7551	Intermediate Similarity	NPC308267
0.754	Intermediate Similarity	NPC234152

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC46990 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	181
0.1-0.2	649
0.2-0.3	1002
0.3-0.4	2008
0.4-0.5	2711
0.5-0.6	1776
0.6-0.7	667
0.7-0.8	164
0.8-0.85	3
0.85-0.9	0
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.8291	Intermediate Similarity	NPD5005	Approved
0.8291	Intermediate Similarity	NPD5006	Approved
0.8182	Intermediate Similarity	NPD4420	Approved
0.7933	Intermediate Similarity	NPD7827	Phase 1
0.7804	Intermediate Similarity	NPD8155	Clinical (unspecified phase)
0.7613	Intermediate Similarity	NPD6723	Discontinued
0.761	Intermediate Similarity	NPD7237	Clinical (unspecified phase)
0.7606	Intermediate Similarity	NPD7930	Approved
0.7604	Intermediate Similarity	NPD6232	Discontinued
0.7569	Intermediate Similarity	NPD5619	Clinical (unspecified phase)
0.7549	Intermediate Similarity	NPD7667	Clinical (unspecified phase)
0.7547	Intermediate Similarity	NPD7782	Clinical (unspecified phase)
0.7547	Intermediate Similarity	NPD7783	Phase 2
0.7538	Intermediate Similarity	NPD7090	Clinical (unspecified phase)
0.7525	Intermediate Similarity	NPD4419	Clinical (unspecified phase)
0.7524	Intermediate Similarity	NPD7584	Approved
0.7513	Intermediate Similarity	NPD6297	Approved
0.7512	Intermediate Similarity	NPD2974	Approved
0.7512	Intermediate Similarity	NPD2973	Approved
0.7512	Intermediate Similarity	NPD2975	Approved
0.7489	Intermediate Similarity	NPD8152	Approved
0.7489	Intermediate Similarity	NPD8153	Approved
0.7488	Intermediate Similarity	NPD4107	Approved
0.7488	Intermediate Similarity	NPD7501	Clinical (unspecified phase)
0.7488	Intermediate Similarity	NPD5457	Discontinued
0.7487	Intermediate Similarity	NPD7473	Discontinued
0.7455	Intermediate Similarity	NPD6625	Approved
0.7452	Intermediate Similarity	NPD3452	Approved
0.7452	Intermediate Similarity	NPD2494	Approved
0.7452	Intermediate Similarity	NPD3450	Approved
0.7452	Intermediate Similarity	NPD2493	Approved
0.7441	Intermediate Similarity	NPD6973	Clinical (unspecified phase)
0.7438	Intermediate Similarity	NPD2488	Approved
0.7438	Intermediate Similarity	NPD2490	Approved
0.7416	Intermediate Similarity	NPD3057	Approved
0.7404	Intermediate Similarity	NPD6782	Approved
0.7404	Intermediate Similarity	NPD6777	Approved
0.7404	Intermediate Similarity	NPD6781	Approved
0.7404	Intermediate Similarity	NPD4580	Approved
0.7404	Intermediate Similarity	NPD6778	Approved
0.7404	Intermediate Similarity	NPD6780	Approved
0.7404	Intermediate Similarity	NPD6776	Approved
0.7404	Intermediate Similarity	NPD6779	Approved
0.74	Intermediate Similarity	NPD2971	Approved
0.74	Intermediate Similarity	NPD2968	Approved
0.74	Intermediate Similarity	NPD3534	Clinical (unspecified phase)
0.7397	Intermediate Similarity	NPD7907	Approved
0.7393	Intermediate Similarity	NPD7999	Approved
0.7387	Intermediate Similarity	NPD7038	Approved
0.7387	Intermediate Similarity	NPD7039	Approved
0.7385	Intermediate Similarity	NPD5242	Approved
0.7378	Intermediate Similarity	NPD7922	Phase 1
0.7368	Intermediate Similarity	NPD4482	Phase 3
0.7364	Intermediate Similarity	NPD6997	Phase 2
0.7363	Intermediate Similarity	NPD6851	Approved
0.7363	Intermediate Similarity	NPD6853	Approved
0.7358	Intermediate Similarity	NPD7583	Approved
0.735	Intermediate Similarity	NPD8453	Clinical (unspecified phase)
0.7347	Intermediate Similarity	NPD4481	Phase 3
0.7346	Intermediate Similarity	NPD4582	Approved
0.7346	Intermediate Similarity	NPD4583	Approved
0.7333	Intermediate Similarity	NPD3533	Approved
0.7333	Intermediate Similarity	NPD5710	Approved
0.7333	Intermediate Similarity	NPD2972	Approved
0.7333	Intermediate Similarity	NPD5711	Approved
0.7324	Intermediate Similarity	NPD7585	Approved
0.7324	Intermediate Similarity	NPD4859	Phase 1
0.7323	Intermediate Similarity	NPD5844	Phase 1
0.7306	Intermediate Similarity	NPD4665	Approved
0.7306	Intermediate Similarity	NPD4111	Phase 1
0.7304	Intermediate Similarity	NPD7235	Clinical (unspecified phase)
0.7299	Intermediate Similarity	NPD4004	Approved
0.7299	Intermediate Similarity	NPD4002	Approved
0.7299	Intermediate Similarity	NPD7696	Phase 3
0.7299	Intermediate Similarity	NPD7697	Approved
0.7299	Intermediate Similarity	NPD7698	Approved
0.729	Intermediate Similarity	NPD8151	Discontinued
0.7277	Intermediate Similarity	NPD8054	Approved
0.7277	Intermediate Similarity	NPD8053	Approved
0.7264	Intermediate Similarity	NPD7870	Phase 2
0.7264	Intermediate Similarity	NPD7871	Phase 2
0.7251	Intermediate Similarity	NPD2491	Approved
0.7251	Intermediate Similarity	NPD3448	Approved
0.7245	Intermediate Similarity	NPD3051	Approved
0.7243	Intermediate Similarity	NPD7701	Phase 2
0.7236	Intermediate Similarity	NPD6020	Phase 2
0.7217	Intermediate Similarity	NPD7497	Discontinued
0.7217	Intermediate Similarity	NPD7435	Discontinued
0.7208	Intermediate Similarity	NPD2969	Approved
0.7208	Intermediate Similarity	NPD2970	Approved
0.7205	Intermediate Similarity	NPD7048	Phase 3
0.7202	Intermediate Similarity	NPD5977	Approved
0.7202	Intermediate Similarity	NPD5978	Approved
0.7198	Intermediate Similarity	NPD6213	Phase 3
0.7198	Intermediate Similarity	NPD6214	Clinical (unspecified phase)
0.7198	Intermediate Similarity	NPD6212	Phase 3
0.7196	Intermediate Similarity	NPD6980	Clinical (unspecified phase)
0.7188	Intermediate Similarity	NPD37	Approved
0.7186	Intermediate Similarity	NPD7177	Discontinued
0.7186	Intermediate Similarity	NPD8099	Discontinued
0.7186	Intermediate Similarity	NPD8252	Approved
0.7186	Intermediate Similarity	NPD8251	Approved
0.7183	Intermediate Similarity	NPD4040	Phase 1
0.7171	Intermediate Similarity	NPD7906	Approved
0.717	Intermediate Similarity	NPD6823	Phase 2
0.7169	Intermediate Similarity	NPD7047	Phase 3
0.7163	Intermediate Similarity	NPD6534	Approved
0.7163	Intermediate Similarity	NPD6535	Approved
0.7156	Intermediate Similarity	NPD8058	Clinical (unspecified phase)
0.7156	Intermediate Similarity	NPD8059	Phase 3
0.715	Intermediate Similarity	NPD8156	Discontinued
0.7143	Intermediate Similarity	NPD7280	Phase 3
0.7143	Intermediate Similarity	NPD5676	Approved
0.7143	Intermediate Similarity	NPD7801	Approved
0.7143	Intermediate Similarity	NPD7281	Phase 3
0.7135	Intermediate Similarity	NPD6385	Approved
0.7135	Intermediate Similarity	NPD6386	Approved
0.7129	Intermediate Similarity	NPD4362	Clinical (unspecified phase)
0.7129	Intermediate Similarity	NPD4361	Phase 2
0.7108	Intermediate Similarity	NPD6618	Phase 2
0.7105	Intermediate Similarity	NPD4727	Phase 1
0.71	Intermediate Similarity	NPD5940	Clinical (unspecified phase)
0.709	Intermediate Similarity	NPD4584	Approved
0.7085	Intermediate Similarity	NPD2489	Approved
0.7085	Intermediate Similarity	NPD27	Approved
0.7085	Intermediate Similarity	NPD2898	Approved
0.7085	Intermediate Similarity	NPD3451	Clinical (unspecified phase)
0.708	Intermediate Similarity	NPD8469	Approved
0.7077	Intermediate Similarity	NPD6788	Approved
0.7077	Intermediate Similarity	NPD4965	Approved
0.7077	Intermediate Similarity	NPD4967	Phase 2
0.7077	Intermediate Similarity	NPD4966	Approved
0.7072	Intermediate Similarity	NPD2899	Discontinued
0.707	Intermediate Similarity	NPD7607	Clinical (unspecified phase)
0.7062	Intermediate Similarity	NPD7819	Suspended
0.7062	Intermediate Similarity	NPD2977	Approved
0.7062	Intermediate Similarity	NPD7700	Phase 2
0.7062	Intermediate Similarity	NPD4585	Approved
0.7062	Intermediate Similarity	NPD7699	Phase 2
0.7062	Intermediate Similarity	NPD2978	Approved
0.7059	Intermediate Similarity	NPD4577	Approved
0.7059	Intermediate Similarity	NPD6146	Clinical (unspecified phase)
0.7059	Intermediate Similarity	NPD4578	Approved
0.7053	Intermediate Similarity	NPD3647	Clinical (unspecified phase)
0.7043	Intermediate Similarity	NPD4664	Clinical (unspecified phase)
0.7039	Intermediate Similarity	NPD4663	Approved
0.7037	Intermediate Similarity	NPD6143	Clinical (unspecified phase)
0.7037	Intermediate Similarity	NPD2421	Approved
0.7037	Intermediate Similarity	NPD2420	Approved
0.703	Intermediate Similarity	NPD7074	Phase 3
0.7023	Intermediate Similarity	NPD8320	Phase 1
0.7023	Intermediate Similarity	NPD8319	Approved
0.702	Intermediate Similarity	NPD7199	Phase 2
0.702	Intermediate Similarity	NPD6107	Approved
0.7019	Intermediate Similarity	NPD5525	Clinical (unspecified phase)
0.7018	Intermediate Similarity	NPD7875	Clinical (unspecified phase)
0.7018	Intermediate Similarity	NPD7874	Approved
0.7016	Intermediate Similarity	NPD3640	Phase 3
0.7016	Intermediate Similarity	NPD3639	Approved
0.7016	Intermediate Similarity	NPD3641	Approved
0.7015	Intermediate Similarity	NPD3818	Discontinued
0.701	Intermediate Similarity	NPD7298	Approved
0.7005	Intermediate Similarity	NPD7693	Approved
0.7005	Intermediate Similarity	NPD6234	Discontinued
0.7	Intermediate Similarity	NPD1424	Approved
0.7	Intermediate Similarity	NPD4363	Phase 3
0.7	Intermediate Similarity	NPD4360	Phase 2
0.699	Remote Similarity	NPD4581	Clinical (unspecified phase)
0.699	Remote Similarity	NPD5087	Clinical (unspecified phase)
0.6984	Remote Similarity	NPD3845	Phase 1
0.6984	Remote Similarity	NPD2422	Clinical (unspecified phase)
0.6982	Remote Similarity	NPD5980	Discovery
0.698	Remote Similarity	NPD7054	Approved
0.6976	Remote Similarity	NPD7313	Approved
0.6976	Remote Similarity	NPD7310	Approved
0.6976	Remote Similarity	NPD7311	Approved
0.6976	Remote Similarity	NPD7312	Approved
0.6974	Remote Similarity	NPD2393	Clinical (unspecified phase)
0.697	Remote Similarity	NPD5494	Approved
0.6961	Remote Similarity	NPD6559	Discontinued
0.6955	Remote Similarity	NPD7708	Approved
0.695	Remote Similarity	NPD7184	Clinical (unspecified phase)
0.6946	Remote Similarity	NPD7472	Approved
0.6942	Remote Similarity	NPD7309	Approved
0.6931	Remote Similarity	NPD7228	Approved
0.6927	Remote Similarity	NPD7549	Discontinued
0.6927	Remote Similarity	NPD6030	Approved
0.6927	Remote Similarity	NPD6031	Approved
0.6927	Remote Similarity	NPD4338	Clinical (unspecified phase)
0.6923	Remote Similarity	NPD1934	Approved
0.692	Remote Similarity	NPD8318	Clinical (unspecified phase)
0.6919	Remote Similarity	NPD5709	Phase 3
0.6913	Remote Similarity	NPD8067	Phase 3
0.6911	Remote Similarity	NPD2532	Approved
0.6911	Remote Similarity	NPD2534	Approved
0.6911	Remote Similarity	NPD2533	Approved
0.6905	Remote Similarity	NPD7296	Approved
0.69	Remote Similarity	NPD6747	Phase 1
0.6897	Remote Similarity	NPD5313	Approved
0.6897	Remote Similarity	NPD5312	Approved

Structure

NPC46990 OpenBabel07101718222D 27 31 0 0 1 0 0 0 0 0999 V2000 0.6358 5.1461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9193 -1.6345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6492 3.5413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0335 3.9610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4306 -0.1846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2677 0.2987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2648 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5682 0.7820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5935 2.7983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5935 0.2987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4306 1.7486 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3622 3.6377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9222 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5935 1.2653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3066 2.8947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7564 1.7486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7564 -0.1846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9193 1.2653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9193 0.2987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4357 2.4753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2677 1.2653 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3630 3.0198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2912 0.5475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5636 4.1822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7564 -1.1512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.5640 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 24 1 0 0 0 0 2 25 1 0 0 0 0 3 4 2 0 0 0 0 3 9 1 0 0 0 0 4 12 1 0 0 0 0 5 6 1 0 0 0 0 5 10 1 0 0 0 0 6 21 1 0 0 0 0 7 9 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 9 13 2 0 0 0 0 10 14 2 0 0 0 0 10 17 1 0 0 0 0 11 7 1 6 0 0 0 11 14 1 0 0 0 0 11 21 1 0 0 0 0 12 15 2 0 0 0 0 12 24 1 0 0 0 0 13 15 1 0 0 0 0 13 16 1 0 0 0 0 14 16 1 0 0 0 0 15 20 1 0 0 0 0 16 18 2 0 0 0 0 17 19 2 0 0 0 0 17 25 1 0 0 0 0 18 19 1 0 0 0 0 18 26 1 0 0 0 0 19 27 1 0 0 0 0 20 22 2 0 0 0 0 20 23 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	24799690
ChEMBL	CHEMBL404685
ZINC

Physicochemical Properties

Molecular Weight:	369.12
ALogP:	-0.7873
MLogP:	2.89
XLogP:	1.716
# Rotatable Bonds:	6
Polar Surface Area:	86.25
# H-Bond Aceptor:	3
# H-Bond Donor:	2
# Rings:	5
# Heavy Atoms:	27

Download Data

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