NPASS Natural Product

Natural Product: NPC470730

Natural Product ID:	NPC470730
Common Name:	n.a.
IUPAC Name:
Synonyms:	Gliocladine-C
Molecular Formula:	C23H20N4O3S2
Standard InCHIKey:	MRBZKCMQZBKXMZ-MHYJACLRSA-N
Standard InCHI:	InChI=1S/C23H20N4O3S2/c1-21-19(29)27-18-22(13-8-4-6-10-16(13)25-18,14-11-24-15-9-5-3-7-12(14)15)17(28)23(27,32-31-21)20(30)26(21)2/h3-11,17-18,24-25,28H,1-2H3/t17-,18+,21-,22-,23-/m0/s1
Canonical SMILES:	O=C1N(C)[C@@]2(C)SS[C@@]31N(C2=O)[C@@H]1[C@@]([C@@H]3O)(c2c(N1)cccc2)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
NPO32990	acrostalagmus luteoalbus scsio f457	Species	Plectosphaerellaceae	Eukaryota				PMID[23079524]

Biological Activity

Activity Type	# Activity
IC50	4

Activity Type	# Activity
Cell Line	4

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT395	Cell Line	SF-268	Homo sapiens	IC50	=	730	nM	23819871
NPT65	Cell Line	HepG2	Homo sapiens	IC50	=	530	nM	19739600
NPT83	Cell Line	MCF7	Homo sapiens	IC50	=	230	nM	21733698
NPT397	Cell Line	NCI-H460	Homo sapiens	IC50	=	6570	nM	Open TG-GATES in vivo data: Biochemistry

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 NPC470730 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	293
0.1-0.2	1761
0.2-0.3	11314
0.3-0.4	12679
0.4-0.5	1837
0.5-0.6	1603
0.6-0.7	1060
0.7-0.8	307
0.8-0.85	19
0.85-0.9	4
0.9-0.95	2
0.95-1	10

Similarity Score	Similarity Level	Natural Product ID
1.0	High Similarity	NPC477175
0.9951	High Similarity	NPC475969
0.9951	High Similarity	NPC475859
0.9902	High Similarity	NPC165743
0.9709	High Similarity	NPC470729
0.9709	High Similarity	NPC477176
0.9662	High Similarity	NPC474877
0.9662	High Similarity	NPC477177
0.9569	High Similarity	NPC63279
0.9524	High Similarity	NPC297642
0.9409	High Similarity	NPC470731
0.9126	High Similarity	NPC470732
0.8692	High Similarity	NPC312942
0.8692	High Similarity	NPC327095
0.8651	High Similarity	NPC40455
0.8611	High Similarity	NPC19170
0.8493	Intermediate Similarity	NPC297862
0.8479	Intermediate Similarity	NPC476817
0.8389	Intermediate Similarity	NPC162860
0.8341	Intermediate Similarity	NPC272174
0.8294	Intermediate Similarity	NPC54420
0.8265	Intermediate Similarity	NPC253987
0.8219	Intermediate Similarity	NPC474896
0.8182	Intermediate Similarity	NPC31097
0.8131	Intermediate Similarity	NPC107077
0.8131	Intermediate Similarity	NPC223791
0.8111	Intermediate Similarity	NPC478157
0.8082	Intermediate Similarity	NPC477714
0.8057	Intermediate Similarity	NPC475506
0.8047	Intermediate Similarity	NPC478158
0.8037	Intermediate Similarity	NPC477715
0.8019	Intermediate Similarity	NPC155143
0.8	Intermediate Similarity	NPC171317
0.8	Intermediate Similarity	NPC281049
0.8	Intermediate Similarity	NPC14812
0.7981	Intermediate Similarity	NPC477179
0.7948	Intermediate Similarity	NPC478028
0.7944	Intermediate Similarity	NPC254850
0.7944	Intermediate Similarity	NPC477181
0.7944	Intermediate Similarity	NPC477178
0.7944	Intermediate Similarity	NPC477180
0.7915	Intermediate Similarity	NPC473640
0.7913	Intermediate Similarity	NPC17059
0.7907	Intermediate Similarity	NPC477173
0.7907	Intermediate Similarity	NPC477174
0.7907	Intermediate Similarity	NPC470490
0.79	Intermediate Similarity	NPC54744
0.789	Intermediate Similarity	NPC320968
0.7879	Intermediate Similarity	NPC478029
0.787	Intermediate Similarity	NPC470488
0.7864	Intermediate Similarity	NPC94752
0.786	Intermediate Similarity	NPC473376
0.7854	Intermediate Similarity	NPC75634
0.7838	Intermediate Similarity	NPC475736
0.7834	Intermediate Similarity	NPC471945
0.7834	Intermediate Similarity	NPC475259
0.7834	Intermediate Similarity	NPC470491
0.7834	Intermediate Similarity	NPC471950
0.7798	Intermediate Similarity	NPC471946
0.7798	Intermediate Similarity	NPC471951
0.7788	Intermediate Similarity	NPC213629
0.7773	Intermediate Similarity	NPC294693
0.7763	Intermediate Similarity	NPC56109
0.7763	Intermediate Similarity	NPC475359
0.7763	Intermediate Similarity	NPC191382
0.7763	Intermediate Similarity	NPC191817
0.7757	Intermediate Similarity	NPC470497
0.7743	Intermediate Similarity	NPC64216
0.7739	Intermediate Similarity	NPC89987
0.771	Intermediate Similarity	NPC100321
0.7709	Intermediate Similarity	NPC474196
0.7699	Intermediate Similarity	NPC155444
0.7692	Intermediate Similarity	NPC110602
0.7692	Intermediate Similarity	NPC75726
0.7692	Intermediate Similarity	NPC31385
0.7689	Intermediate Similarity	NPC474195
0.7681	Intermediate Similarity	NPC228835
0.7672	Intermediate Similarity	NPC325976
0.7652	Intermediate Similarity	NPC69843
0.7642	Intermediate Similarity	NPC125181
0.7642	Intermediate Similarity	NPC242872
0.7642	Intermediate Similarity	NPC263117
0.7628	Intermediate Similarity	NPC293917
0.7619	Intermediate Similarity	NPC321708
0.7615	Intermediate Similarity	NPC470489
0.76	Intermediate Similarity	NPC473310
0.7581	Intermediate Similarity	NPC131887
0.7581	Intermediate Similarity	NPC52557
0.7576	Intermediate Similarity	NPC326363
0.7573	Intermediate Similarity	NPC11126
0.757	Intermediate Similarity	NPC321939
0.7565	Intermediate Similarity	NPC476491
0.756	Intermediate Similarity	NPC15102
0.7558	Intermediate Similarity	NPC300183
0.7556	Intermediate Similarity	NPC472285
0.7536	Intermediate Similarity	NPC175474
0.7536	Intermediate Similarity	NPC91179
0.7523	Intermediate Similarity	NPC476874
0.7522	Intermediate Similarity	NPC24370
0.7522	Intermediate Similarity	NPC319232
0.7512	Intermediate Similarity	NPC79129
0.7512	Intermediate Similarity	NPC81654
0.7512	Intermediate Similarity	NPC195461
0.7512	Intermediate Similarity	NPC249150
0.7512	Intermediate Similarity	NPC49196
0.7512	Intermediate Similarity	NPC252338
0.7512	Intermediate Similarity	NPC313985
0.7512	Intermediate Similarity	NPC472294
0.7511	Intermediate Similarity	NPC471192
0.751	Intermediate Similarity	NPC478006
0.75	Intermediate Similarity	NPC50503
0.75	Intermediate Similarity	NPC478011
0.75	Intermediate Similarity	NPC478012
0.75	Intermediate Similarity	NPC314056
0.749	Intermediate Similarity	NPC314882
0.7489	Intermediate Similarity	NPC54981
0.7489	Intermediate Similarity	NPC475258
0.7478	Intermediate Similarity	NPC238945
0.747	Intermediate Similarity	NPC314176
0.747	Intermediate Similarity	NPC315467
0.7466	Intermediate Similarity	NPC323927
0.7465	Intermediate Similarity	NPC117244
0.7465	Intermediate Similarity	NPC473763
0.7463	Intermediate Similarity	NPC161861
0.7458	Intermediate Similarity	NPC28945
0.7455	Intermediate Similarity	NPC153980
0.7455	Intermediate Similarity	NPC6865
0.7455	Intermediate Similarity	NPC471194
0.7455	Intermediate Similarity	NPC471193
0.7454	Intermediate Similarity	NPC227582
0.7443	Intermediate Similarity	NPC193761
0.7443	Intermediate Similarity	NPC476073
0.7441	Intermediate Similarity	NPC315555
0.744	Intermediate Similarity	NPC478009
0.744	Intermediate Similarity	NPC478010
0.7436	Intermediate Similarity	NPC63031
0.7426	Intermediate Similarity	NPC470784
0.7422	Intermediate Similarity	NPC475602
0.7419	Intermediate Similarity	NPC470499
0.7418	Intermediate Similarity	NPC95783
0.7418	Intermediate Similarity	NPC128582
0.7415	Intermediate Similarity	NPC477549
0.7411	Intermediate Similarity	NPC72956
0.7411	Intermediate Similarity	NPC82370
0.741	Intermediate Similarity	NPC478013
0.7406	Intermediate Similarity	NPC17487
0.7406	Intermediate Similarity	NPC201831
0.7404	Intermediate Similarity	NPC248041
0.7404	Intermediate Similarity	NPC248462
0.7404	Intermediate Similarity	NPC126709
0.7384	Intermediate Similarity	NPC184680
0.7382	Intermediate Similarity	NPC33949
0.7375	Intermediate Similarity	NPC477107
0.7375	Intermediate Similarity	NPC477109
0.7375	Intermediate Similarity	NPC477108
0.7371	Intermediate Similarity	NPC475338
0.7371	Intermediate Similarity	NPC909
0.7366	Intermediate Similarity	NPC475422
0.7366	Intermediate Similarity	NPC234999
0.7364	Intermediate Similarity	NPC260900
0.7358	Intermediate Similarity	NPC62749
0.7356	Intermediate Similarity	NPC145885
0.7356	Intermediate Similarity	NPC14113
0.7356	Intermediate Similarity	NPC84827
0.7356	Intermediate Similarity	NPC64436
0.7354	Intermediate Similarity	NPC71238
0.7354	Intermediate Similarity	NPC87755
0.7353	Intermediate Similarity	NPC470785
0.7348	Intermediate Similarity	NPC471506
0.7345	Intermediate Similarity	NPC229348
0.7342	Intermediate Similarity	NPC277350
0.7331	Intermediate Similarity	NPC220852
0.7331	Intermediate Similarity	NPC323752
0.733	Intermediate Similarity	NPC98715
0.733	Intermediate Similarity	NPC317701
0.7321	Intermediate Similarity	NPC283219
0.7321	Intermediate Similarity	NPC219336
0.7317	Intermediate Similarity	NPC317430
0.7313	Intermediate Similarity	NPC474412
0.7311	Intermediate Similarity	NPC308931
0.7311	Intermediate Similarity	NPC285343
0.7311	Intermediate Similarity	NPC99939
0.7311	Intermediate Similarity	NPC184225
0.7309	Intermediate Similarity	NPC166492
0.7309	Intermediate Similarity	NPC473362
0.7308	Intermediate Similarity	NPC267885
0.7306	Intermediate Similarity	NPC153400
0.7286	Intermediate Similarity	NPC16659
0.7286	Intermediate Similarity	NPC15840
0.7284	Intermediate Similarity	NPC229893
0.7281	Intermediate Similarity	NPC36405
0.7281	Intermediate Similarity	NPC472027
0.7277	Intermediate Similarity	NPC135601
0.7277	Intermediate Similarity	NPC141612
0.7277	Intermediate Similarity	NPC17273
0.7277	Intermediate Similarity	NPC478077
0.7277	Intermediate Similarity	NPC235684
0.7277	Intermediate Similarity	NPC314957
0.7273	Intermediate Similarity	NPC15573
0.7273	Intermediate Similarity	NPC217372

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC470730 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	182
0.1-0.2	554
0.2-0.3	989
0.3-0.4	1876
0.4-0.5	2360
0.5-0.6	2077
0.6-0.7	1008
0.7-0.8	113
0.8-0.85	2
0.85-0.9	0
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.8102	Intermediate Similarity	NPD7594	Clinical (unspecified phase)
0.8009	Intermediate Similarity	NPD7809	Clinical (unspecified phase)
0.7965	Intermediate Similarity	NPD7824	Approved
0.7953	Intermediate Similarity	NPD8493	Clinical (unspecified phase)
0.7939	Intermediate Similarity	NPD7951	Approved
0.7939	Intermediate Similarity	NPD7950	Approved
0.7939	Intermediate Similarity	NPD7790	Approved
0.7939	Intermediate Similarity	NPD7789	Approved
0.7939	Intermediate Similarity	NPD7953	Approved
0.7939	Intermediate Similarity	NPD7952	Approved
0.7939	Intermediate Similarity	NPD7791	Approved
0.7876	Intermediate Similarity	NPD7730	Approved
0.7876	Intermediate Similarity	NPD7731	Approved
0.7867	Intermediate Similarity	NPD7271	Approved
0.7797	Intermediate Similarity	NPD6164	Phase 2
0.7797	Intermediate Similarity	NPD6165	Phase 2
0.7788	Intermediate Similarity	NPD6838	Clinical (unspecified phase)
0.7783	Intermediate Similarity	NPD7970	Approved
0.7783	Intermediate Similarity	NPD7971	Clinical (unspecified phase)
0.7778	Intermediate Similarity	NPD5426	Phase 3
0.7773	Intermediate Similarity	NPD7618	Phase 3
0.7773	Intermediate Similarity	NPD7619	Phase 3
0.7763	Intermediate Similarity	NPD7781	Approved
0.7763	Intermediate Similarity	NPD7780	Approved
0.7727	Intermediate Similarity	NPD7470	Discontinued
0.7628	Intermediate Similarity	NPD7621	Clinical (unspecified phase)
0.7615	Intermediate Similarity	NPD8272	Phase 2
0.7606	Intermediate Similarity	NPD7944	Discontinued
0.7591	Intermediate Similarity	NPD7666	Phase 3
0.7591	Intermediate Similarity	NPD7665	Phase 2
0.758	Intermediate Similarity	NPD7001	Phase 3
0.7558	Intermediate Similarity	NPD7903	Clinical (unspecified phase)
0.7512	Intermediate Similarity	NPD4601	Approved
0.7512	Intermediate Similarity	NPD4600	Approved
0.75	Intermediate Similarity	NPD8094	Discontinued
0.7489	Intermediate Similarity	NPD8013	Clinical (unspecified phase)
0.7466	Intermediate Similarity	NPD8322	Phase 2
0.7465	Intermediate Similarity	NPD6999	Discontinued
0.7465	Intermediate Similarity	NPD7000	Clinical (unspecified phase)
0.7455	Intermediate Similarity	NPD8093	Discontinued
0.7452	Intermediate Similarity	NPD6595	Phase 3
0.7446	Intermediate Similarity	NPD7711	Discontinued
0.7445	Intermediate Similarity	NPD8405	Clinical (unspecified phase)
0.7371	Intermediate Similarity	NPD8289	Discontinued
0.7371	Intermediate Similarity	NPD7603	Discontinued
0.7366	Intermediate Similarity	NPD7998	Clinical (unspecified phase)
0.7342	Intermediate Similarity	NPD6732	Clinical (unspecified phase)
0.7325	Intermediate Similarity	NPD7823	Clinical (unspecified phase)
0.7325	Intermediate Similarity	NPD8406	Clinical (unspecified phase)
0.7311	Intermediate Similarity	NPD6610	Clinical (unspecified phase)
0.7308	Intermediate Similarity	NPD749	Clinical (unspecified phase)
0.7299	Intermediate Similarity	NPD2095	Phase 2
0.7299	Intermediate Similarity	NPD5728	Clinical (unspecified phase)
0.7299	Intermediate Similarity	NPD2092	Phase 2
0.7299	Intermediate Similarity	NPD2094	Phase 2
0.7297	Intermediate Similarity	NPD7712	Clinical (unspecified phase)
0.7297	Intermediate Similarity	NPD8114	Approved
0.7297	Intermediate Similarity	NPD8115	Approved
0.7281	Intermediate Similarity	NPD7543	Phase 2
0.7269	Intermediate Similarity	NPD8488	Clinical (unspecified phase)
0.7264	Intermediate Similarity	NPD2091	Phase 2
0.7264	Intermediate Similarity	NPD2096	Phase 2
0.726	Intermediate Similarity	NPD482	Approved
0.7249	Intermediate Similarity	NPD8000	Clinical (unspecified phase)
0.7243	Intermediate Similarity	NPD6141	Clinical (unspecified phase)
0.7225	Intermediate Similarity	NPD8458	Clinical (unspecified phase)
0.7212	Intermediate Similarity	NPD7825	Clinical (unspecified phase)
0.7202	Intermediate Similarity	NPD4602	Approved
0.7186	Intermediate Similarity	NPD7168	Phase 3
0.7169	Intermediate Similarity	NPD6449	Clinical (unspecified phase)
0.7163	Intermediate Similarity	NPD3486	Clinical (unspecified phase)
0.7162	Intermediate Similarity	NPD7817	Phase 1
0.7162	Intermediate Similarity	NPD8112	Clinical (unspecified phase)
0.7143	Intermediate Similarity	NPD8169	Discontinued
0.7137	Intermediate Similarity	NPD6173	Approved
0.7136	Intermediate Similarity	NPD6664	Approved
0.713	Intermediate Similarity	NPD6268	Phase 1
0.713	Intermediate Similarity	NPD6269	Clinical (unspecified phase)
0.713	Intermediate Similarity	NPD8110	Clinical (unspecified phase)
0.7129	Intermediate Similarity	NPD750	Phase 2
0.7124	Intermediate Similarity	NPD2510	Approved
0.7124	Intermediate Similarity	NPD2509	Approved
0.7114	Intermediate Similarity	NPD4558	Phase 2
0.7113	Intermediate Similarity	NPD7415	Suspended
0.7112	Intermediate Similarity	NPD5198	Approved
0.7112	Intermediate Similarity	NPD5199	Approved
0.7111	Intermediate Similarity	NPD7957	Phase 1
0.7111	Intermediate Similarity	NPD4862	Clinical (unspecified phase)
0.7111	Intermediate Similarity	NPD7958	Clinical (unspecified phase)
0.7109	Intermediate Similarity	NPD6203	Clinical (unspecified phase)
0.71	Intermediate Similarity	NPD8271	Discontinued
0.7098	Intermediate Similarity	NPD8072	Approved
0.7095	Intermediate Similarity	NPD5065	Approved
0.7083	Intermediate Similarity	NPD3961	Discontinued
0.7073	Intermediate Similarity	NPD2511	Approved
0.7067	Intermediate Similarity	NPD5901	Discontinued
0.7064	Intermediate Similarity	NPD7716	Approved
0.7064	Intermediate Similarity	NPD7717	Approved
0.7059	Intermediate Similarity	NPD2880	Discontinued
0.7056	Intermediate Similarity	NPD3394	Approved
0.7056	Intermediate Similarity	NPD3389	Approved
0.7056	Intermediate Similarity	NPD3393	Approved
0.7054	Intermediate Similarity	NPD8073	Approved
0.7051	Intermediate Similarity	NPD6965	Clinical (unspecified phase)
0.7042	Intermediate Similarity	NPD8464	Clinical (unspecified phase)
0.7042	Intermediate Similarity	NPD5040	Clinical (unspecified phase)
0.704	Intermediate Similarity	NPD4500	Approved
0.704	Intermediate Similarity	NPD4501	Approved
0.7037	Intermediate Similarity	NPD7026	Phase 2
0.7032	Intermediate Similarity	NPD6665	Discontinued
0.7026	Intermediate Similarity	NPD2787	Clinical (unspecified phase)
0.7009	Intermediate Similarity	NPD7727	Phase 2
0.7009	Intermediate Similarity	NPD5017	Discontinued
0.7004	Intermediate Similarity	NPD8250	Phase 2
0.7004	Intermediate Similarity	NPD8410	Clinical (unspecified phase)
0.6995	Remote Similarity	NPD4079	Approved
0.6995	Remote Similarity	NPD4076	Approved
0.6986	Remote Similarity	NPD6180	Clinical (unspecified phase)
0.6986	Remote Similarity	NPD8240	Discontinued
0.6982	Remote Similarity	NPD5003	Discontinued
0.6978	Remote Similarity	NPD5721	Clinical (unspecified phase)
0.6974	Remote Similarity	NPD2443	Approved
0.6974	Remote Similarity	NPD2442	Approved
0.6963	Remote Similarity	NPD6277	Clinical (unspecified phase)
0.6959	Remote Similarity	NPD5820	Clinical (unspecified phase)
0.6959	Remote Similarity	NPD4426	Clinical (unspecified phase)
0.6952	Remote Similarity	NPD4184	Clinical (unspecified phase)
0.6949	Remote Similarity	NPD6995	Phase 1
0.6948	Remote Similarity	NPD3506	Approved
0.6948	Remote Similarity	NPD3505	Approved
0.6947	Remote Similarity	NPD2121	Clinical (unspecified phase)
0.6944	Remote Similarity	NPD6178	Phase 3
0.6941	Remote Similarity	NPD4499	Approved
0.6936	Remote Similarity	NPD5884	Clinical (unspecified phase)
0.6933	Remote Similarity	NPD7426	Phase 1
0.6929	Remote Similarity	NPD8119	Discontinued
0.6929	Remote Similarity	NPD6263	Clinical (unspecified phase)
0.6929	Remote Similarity	NPD4885	Approved
0.6927	Remote Similarity	NPD8431	Approved
0.6926	Remote Similarity	NPD7195	Clinical (unspecified phase)
0.692	Remote Similarity	NPD7202	Clinical (unspecified phase)
0.6908	Remote Similarity	NPD6454	Clinical (unspecified phase)
0.6907	Remote Similarity	NPD6615	Clinical (unspecified phase)
0.6905	Remote Similarity	NPD8246	Approved
0.6905	Remote Similarity	NPD5069	Clinical (unspecified phase)
0.6905	Remote Similarity	NPD8247	Approved
0.6901	Remote Similarity	NPD6044	Discontinued
0.69	Remote Similarity	NPD7947	Clinical (unspecified phase)
0.6897	Remote Similarity	NPD7557	Clinical (unspecified phase)
0.6894	Remote Similarity	NPD4555	Clinical (unspecified phase)
0.6889	Remote Similarity	NPD484	Approved
0.6886	Remote Similarity	NPD7568	Phase 1
0.688	Remote Similarity	NPD8257	Approved
0.688	Remote Similarity	NPD8258	Clinical (unspecified phase)
0.688	Remote Similarity	NPD8256	Approved
0.6878	Remote Similarity	NPD8356	Approved
0.6877	Remote Similarity	NPD8349	Phase 1
0.6875	Remote Similarity	NPD4397	Phase 1
0.6872	Remote Similarity	NPD6970	Phase 2
0.6872	Remote Similarity	NPD6176	Phase 1
0.687	Remote Similarity	NPD2125	Clinical (unspecified phase)
0.6866	Remote Similarity	NPD7564	Discontinued
0.6861	Remote Similarity	NPD7818	Clinical (unspecified phase)
0.6853	Remote Similarity	NPD4852	Phase 2
0.6851	Remote Similarity	NPD6578	Clinical (unspecified phase)
0.6844	Remote Similarity	NPD6661	Clinical (unspecified phase)
0.6842	Remote Similarity	NPD6288	Clinical (unspecified phase)
0.6842	Remote Similarity	NPD3914	Clinical (unspecified phase)
0.6835	Remote Similarity	NPD3082	Discontinued
0.6833	Remote Similarity	NPD6630	Clinical (unspecified phase)
0.6833	Remote Similarity	NPD5592	Clinical (unspecified phase)
0.6833	Remote Similarity	NPD8430	Approved
0.6825	Remote Similarity	NPD5862	Discovery
0.6822	Remote Similarity	NPD8284	Discontinued
0.6818	Remote Similarity	NPD8372	Clinical (unspecified phase)
0.6816	Remote Similarity	NPD4998	Phase 3
0.6816	Remote Similarity	NPD4999	Phase 3
0.6814	Remote Similarity	NPD6479	Discontinued
0.6809	Remote Similarity	NPD5818	Discontinued
0.6807	Remote Similarity	NPD6824	Clinical (unspecified phase)
0.6805	Remote Similarity	NPD5559	Phase 2
0.6798	Remote Similarity	NPD4310	Phase 3
0.6798	Remote Similarity	NPD5487	Phase 1
0.6797	Remote Similarity	NPD2408	Discontinued
0.6797	Remote Similarity	NPD4520	Approved
0.6795	Remote Similarity	NPD6481	Clinical (unspecified phase)
0.6794	Remote Similarity	NPD6771	Discontinued
0.6791	Remote Similarity	NPD2144	Approved
0.679	Remote Similarity	NPD3960	Clinical (unspecified phase)
0.6787	Remote Similarity	NPD3439	Approved
0.6787	Remote Similarity	NPD3321	Discontinued
0.6786	Remote Similarity	NPD7023	Clinical (unspecified phase)
0.6776	Remote Similarity	NPD5322	Clinical (unspecified phase)
0.6773	Remote Similarity	NPD8020	Approved
0.6773	Remote Similarity	NPD8021	Approved
0.6773	Remote Similarity	NPD7394	Phase 2
0.6771	Remote Similarity	NPD5575	Clinical (unspecified phase)
0.6769	Remote Similarity	NPD6987	Phase 1
0.6769	Remote Similarity	NPD7393	Clinical (unspecified phase)
0.6767	Remote Similarity	NPD8321	Discontinued

Structure

NPC470730 OpenBabel07101718182D 32 38 0 0 1 0 0 0 0 0999 V2000 -0.3312 2.1407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1342 1.8095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2263 -0.7713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3274 -3.3945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7956 -0.0682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1109 -2.9421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3326 -0.6298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5438 -2.9421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4714 0.7765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1109 -2.0373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2111 1.4427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0084 0.2149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5438 -2.0373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1637 0.5391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5778 0.9180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3274 -1.5850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9717 -1.3374 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.2395 -0.6054 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.5671 0.9048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5671 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7835 1.3571 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.8715 -1.4319 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7835 -0.4524 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0850 1.6768 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1393 -0.7000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5671 0.9048 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5671 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3663 -2.0097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3506 1.3571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3506 -0.4524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.9048 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2 26 1 0 0 0 0 3 5 2 0 0 0 0 3 7 1 0 0 0 0 4 6 2 0 0 0 0 4 8 1 0 0 0 0 5 9 1 0 0 0 0 6 10 1 0 0 0 0 7 12 2 0 0 0 0 8 13 2 0 0 0 0 9 15 2 0 0 0 0 10 16 2 0 0 0 0 11 14 2 0 0 0 0 11 24 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 13 16 1 0 0 0 0 13 22 1 0 0 0 0 15 24 1 0 0 0 0 16 25 1 0 0 0 0 17 22 1 1 0 0 0 17 23 1 0 0 0 0 17 28 1 0 0 0 0 18 22 1 6 0 0 0 18 25 1 0 0 0 0 18 27 1 0 0 0 0 19 21 1 0 0 0 0 19 27 1 0 0 0 0 19 29 2 0 0 0 0 20 26 1 0 0 0 0 20 30 2 0 0 0 0 21 1 1 1 0 0 0 21 26 1 0 0 0 0 21 31 1 0 0 0 0 22 14 1 6 0 0 0 23 20 1 1 0 0 0 23 27 1 0 0 0 0 23 32 1 0 0 0 0 31 32 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	71452522
ChEMBL	CHEMBL2207537
ZINC

Physicochemical Properties

Molecular Weight:	464.10
ALogP:	-1.4839
MLogP:	3
XLogP:	1.992
# Rotatable Bonds:	4
Polar Surface Area:	139.27
# H-Bond Aceptor:	7
# H-Bond Donor:	3
# Rings:	5
# Heavy Atoms:	32

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