NPASS Natural Product

Natural Product: NPC476341

Natural Product ID:	NPC476341
Common Name:	Aurachin E
IUPAC Name:
Synonyms:	Aurachin E
Molecular Formula:	C26H32N2O2
Standard InCHIKey:	CQZZUPSXBXLXRM-CFBAGHHKSA-N
Standard InCHI:	InChI=1S/C26H32N2O2/c1-17(2)9-6-10-18(3)11-7-12-19(4)15-16-21-20(5)28-24-22(25(21)29)13-8-14-23(24)27-26(28)30/h8-9,11,13-15H,6-7,10,12,16H2,1-5H3,(H,27,30)/b18-11+,19-15+
Canonical SMILES:	C/C(=CCc1c(=O)c2cccc3c2n(c1C)c(O)n3)/CC/C=C(/CCC=C(C)C)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
NPO33510	stigmatella sp.	Species	Archangiaceae	Bacteria				PMID[18922036]

Biological Activity

Activity Type	# Activity
IC50	4

Activity Type	# Activity
Cell Line	1
Organism	2
Others	1

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT2	Others	Unspecified		IC50	=	1100	ug/ml	20643902
NPT6	Organism	Plasmodium falciparum	Plasmodium falciparum	IC50	=	0.0004	ug/ml	10924160
NPT6	Organism	Plasmodium falciparum	Plasmodium falciparum	IC50	=	0.013	ug/ml	10924160
NPT1460	Cell Line	L929	Mus musculus	IC50	=	25	ug/ml	22889556

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 NPC476341 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	352
0.1-0.2	2869
0.2-0.3	11791
0.3-0.4	11707
0.4-0.5	1906
0.5-0.6	1784
0.6-0.7	454
0.7-0.8	26
0.8-0.85	0
0.85-0.9	0
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Natural Product ID
0.7433	Intermediate Similarity	NPC243058
0.7419	Intermediate Similarity	NPC88110
0.7394	Intermediate Similarity	NPC203635
0.7316	Intermediate Similarity	NPC90415
0.7313	Intermediate Similarity	NPC116555
0.7297	Intermediate Similarity	NPC469529
0.7258	Intermediate Similarity	NPC151635
0.7234	Intermediate Similarity	NPC73994
0.7228	Intermediate Similarity	NPC471943
0.7219	Intermediate Similarity	NPC219848
0.7211	Intermediate Similarity	NPC21429
0.7211	Intermediate Similarity	NPC285923
0.7198	Intermediate Similarity	NPC267811
0.7181	Intermediate Similarity	NPC256268
0.7159	Intermediate Similarity	NPC114209
0.7135	Intermediate Similarity	NPC17273
0.7135	Intermediate Similarity	NPC135601
0.7135	Intermediate Similarity	NPC141612
0.7128	Intermediate Similarity	NPC83774
0.7102	Intermediate Similarity	NPC478186
0.7065	Intermediate Similarity	NPC115232
0.7059	Intermediate Similarity	NPC252572
0.7053	Intermediate Similarity	NPC61011
0.7026	Intermediate Similarity	NPC324091
0.701	Intermediate Similarity	NPC243850
0.7	Intermediate Similarity	NPC281094
0.6994	Remote Similarity	NPC207554
0.6957	Remote Similarity	NPC214106
0.6943	Remote Similarity	NPC46895
0.6935	Remote Similarity	NPC114637
0.6932	Remote Similarity	NPC42483
0.6927	Remote Similarity	NPC191415
0.6915	Remote Similarity	NPC81535
0.6914	Remote Similarity	NPC238499
0.6905	Remote Similarity	NPC62995
0.6875	Remote Similarity	NPC277157
0.6869	Remote Similarity	NPC272458
0.6865	Remote Similarity	NPC242116
0.686	Remote Similarity	NPC300299
0.6857	Remote Similarity	NPC471574
0.6848	Remote Similarity	NPC300238
0.6829	Remote Similarity	NPC314648
0.6828	Remote Similarity	NPC478182
0.6821	Remote Similarity	NPC133003
0.6813	Remote Similarity	NPC200743
0.6811	Remote Similarity	NPC27904
0.6804	Remote Similarity	NPC471609
0.6796	Remote Similarity	NPC313345
0.6796	Remote Similarity	NPC315638
0.6796	Remote Similarity	NPC471191
0.6796	Remote Similarity	NPC314855
0.6796	Remote Similarity	NPC313796
0.6782	Remote Similarity	NPC216159
0.6782	Remote Similarity	NPC474916
0.6773	Remote Similarity	NPC267078
0.6773	Remote Similarity	NPC935
0.6766	Remote Similarity	NPC102592
0.6766	Remote Similarity	NPC472116
0.6766	Remote Similarity	NPC79356
0.6763	Remote Similarity	NPC315545
0.6763	Remote Similarity	NPC314297
0.6762	Remote Similarity	NPC6865
0.6762	Remote Similarity	NPC153980
0.6754	Remote Similarity	NPC317054
0.675	Remote Similarity	NPC326422
0.6742	Remote Similarity	NPC474357
0.6742	Remote Similarity	NPC136002
0.6738	Remote Similarity	NPC21174
0.6738	Remote Similarity	NPC271797
0.6737	Remote Similarity	NPC6982
0.6731	Remote Similarity	NPC71238
0.6727	Remote Similarity	NPC470323
0.6721	Remote Similarity	NPC295021
0.6718	Remote Similarity	NPC117027
0.6717	Remote Similarity	NPC473666
0.6714	Remote Similarity	NPC72956
0.6684	Remote Similarity	NPC65080
0.6684	Remote Similarity	NPC194881
0.6684	Remote Similarity	NPC477003
0.6684	Remote Similarity	NPC284775
0.6667	Remote Similarity	NPC314834
0.6667	Remote Similarity	NPC293216
0.6667	Remote Similarity	NPC117032
0.6667	Remote Similarity	NPC293487
0.6667	Remote Similarity	NPC113626
0.665	Remote Similarity	NPC167710
0.6649	Remote Similarity	NPC265100
0.6648	Remote Similarity	NPC83214
0.6647	Remote Similarity	NPC39818
0.6635	Remote Similarity	NPC54981
0.6634	Remote Similarity	NPC202812
0.6633	Remote Similarity	NPC470205
0.6633	Remote Similarity	NPC159125
0.6633	Remote Similarity	NPC221873
0.6633	Remote Similarity	NPC102755
0.6627	Remote Similarity	NPC161956
0.6627	Remote Similarity	NPC258531
0.6627	Remote Similarity	NPC112373
0.6618	Remote Similarity	NPC317701
0.6615	Remote Similarity	NPC15840
0.6606	Remote Similarity	NPC116622
0.6604	Remote Similarity	NPC471194
0.6604	Remote Similarity	NPC471193
0.6601	Remote Similarity	NPC128244
0.6601	Remote Similarity	NPC472293
0.6599	Remote Similarity	NPC258480
0.6598	Remote Similarity	NPC234987
0.6595	Remote Similarity	NPC476219
0.6595	Remote Similarity	NPC476297
0.659	Remote Similarity	NPC207428
0.6589	Remote Similarity	NPC471192
0.6587	Remote Similarity	NPC472259
0.6579	Remote Similarity	NPC478183
0.6579	Remote Similarity	NPC56233
0.6573	Remote Similarity	NPC282247
0.657	Remote Similarity	NPC143977
0.6567	Remote Similarity	NPC476460
0.6566	Remote Similarity	NPC177684
0.6566	Remote Similarity	NPC291962
0.6561	Remote Similarity	NPC478184
0.6553	Remote Similarity	NPC121327
0.6546	Remote Similarity	NPC475607
0.6542	Remote Similarity	NPC274842
0.6535	Remote Similarity	NPC216550
0.6535	Remote Similarity	NPC472292
0.6531	Remote Similarity	NPC16659
0.6531	Remote Similarity	NPC24864
0.6531	Remote Similarity	NPC91179
0.6526	Remote Similarity	NPC244856
0.6526	Remote Similarity	NPC471130
0.6526	Remote Similarity	NPC42372
0.6524	Remote Similarity	NPC299594
0.6524	Remote Similarity	NPC76982
0.6522	Remote Similarity	NPC471944
0.6519	Remote Similarity	NPC242556
0.6513	Remote Similarity	NPC157583
0.6513	Remote Similarity	NPC474081
0.651	Remote Similarity	NPC32534
0.6508	Remote Similarity	NPC478185
0.6508	Remote Similarity	NPC88970
0.6505	Remote Similarity	NPC237414
0.6505	Remote Similarity	NPC472297
0.6505	Remote Similarity	NPC472296
0.6497	Remote Similarity	NPC470677
0.6495	Remote Similarity	NPC306644
0.6495	Remote Similarity	NPC236424
0.6495	Remote Similarity	NPC475594
0.6495	Remote Similarity	NPC469938
0.6488	Remote Similarity	NPC257490
0.6488	Remote Similarity	NPC103292
0.6486	Remote Similarity	NPC469975
0.6484	Remote Similarity	NPC324445
0.648	Remote Similarity	NPC2823
0.648	Remote Similarity	NPC12649
0.648	Remote Similarity	NPC265710
0.648	Remote Similarity	NPC11126
0.6477	Remote Similarity	NPC105758
0.6477	Remote Similarity	NPC476686
0.6477	Remote Similarity	NPC476688
0.6471	Remote Similarity	NPC184476
0.6468	Remote Similarity	NPC61435
0.6458	Remote Similarity	NPC70949
0.6458	Remote Similarity	NPC278874
0.645	Remote Similarity	NPC478077
0.645	Remote Similarity	NPC66210
0.6436	Remote Similarity	NPC154339
0.6435	Remote Similarity	NPC322064
0.6432	Remote Similarity	NPC467063
0.6432	Remote Similarity	NPC228835
0.6432	Remote Similarity	NPC470003
0.6429	Remote Similarity	NPC132539
0.6429	Remote Similarity	NPC179605
0.6429	Remote Similarity	NPC279385
0.6425	Remote Similarity	NPC91895
0.6422	Remote Similarity	NPC267343
0.6422	Remote Similarity	NPC304203
0.6421	Remote Similarity	NPC224632
0.6418	Remote Similarity	NPC472323
0.6414	Remote Similarity	NPC477891
0.6414	Remote Similarity	NPC63109
0.6411	Remote Similarity	NPC57398
0.6409	Remote Similarity	NPC220851
0.6408	Remote Similarity	NPC134657
0.6408	Remote Similarity	NPC141454
0.6398	Remote Similarity	NPC70406
0.6398	Remote Similarity	NPC217021
0.6398	Remote Similarity	NPC470679
0.6396	Remote Similarity	NPC474041
0.6396	Remote Similarity	NPC475761
0.6387	Remote Similarity	NPC271734
0.6383	Remote Similarity	NPC84317
0.6378	Remote Similarity	NPC471743
0.6378	Remote Similarity	NPC37548
0.6378	Remote Similarity	NPC84347
0.6378	Remote Similarity	NPC124005
0.6374	Remote Similarity	NPC20144
0.6373	Remote Similarity	NPC47190
0.6373	Remote Similarity	NPC67551
0.6372	Remote Similarity	NPC473218
0.6372	Remote Similarity	NPC470702

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC476341 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	248
0.1-0.2	656
0.2-0.3	1081
0.3-0.4	2122
0.4-0.5	2337
0.5-0.6	2024
0.6-0.7	610
0.7-0.8	78
0.8-0.85	3
0.85-0.9	2
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.8908	High Similarity	NPD4940	Approved
0.8596	High Similarity	NPD5016	Approved
0.8251	Intermediate Similarity	NPD1896	Approved
0.8118	Intermediate Similarity	NPD1871	Approved
0.8075	Intermediate Similarity	NPD1952	Discontinued
0.7958	Intermediate Similarity	NPD2879	Approved
0.7958	Intermediate Similarity	NPD2881	Approved
0.7903	Intermediate Similarity	NPD1658	Discontinued
0.7868	Intermediate Similarity	NPD2411	Approved
0.7841	Intermediate Similarity	NPD509	Phase 3
0.7835	Intermediate Similarity	NPD2008	Discontinued
0.7795	Intermediate Similarity	NPD3905	Phase 3
0.7722	Intermediate Similarity	NPD5996	Clinical (unspecified phase)
0.7697	Intermediate Similarity	NPD4213	Clinical (unspecified phase)
0.764	Intermediate Similarity	NPD3889	Approved
0.7632	Intermediate Similarity	NPD460	Discontinued
0.7626	Intermediate Similarity	NPD1600	Suspended
0.7576	Intermediate Similarity	NPD2442	Approved
0.7576	Intermediate Similarity	NPD2443	Approved
0.7541	Intermediate Similarity	NPD5943	Clinical (unspecified phase)
0.75	Intermediate Similarity	NPD6794	Approved
0.743	Intermediate Similarity	NPD2149	Clinical (unspecified phase)
0.7429	Intermediate Similarity	NPD2128	Phase 1
0.7427	Intermediate Similarity	NPD6210	Phase 3
0.7418	Intermediate Similarity	NPD6142	Phase 3
0.7411	Intermediate Similarity	NPD4924	Clinical (unspecified phase)
0.7396	Intermediate Similarity	NPD3431	Approved
0.7396	Intermediate Similarity	NPD3430	Approved
0.7363	Intermediate Similarity	NPD2408	Discontinued
0.735	Intermediate Similarity	NPD6328	Clinical (unspecified phase)
0.7337	Intermediate Similarity	NPD7103	Approved
0.733	Intermediate Similarity	NPD2524	Discontinued
0.7315	Intermediate Similarity	NPD4938	Phase 2
0.7306	Intermediate Similarity	NPD3959	Phase 2
0.7306	Intermediate Similarity	NPD3962	Phase 2
0.7297	Intermediate Similarity	NPD7006	Approved
0.7291	Intermediate Similarity	NPD4863	Approved
0.7277	Intermediate Similarity	NPD3246	Discontinued
0.7273	Intermediate Similarity	NPD5001	Clinical (unspecified phase)
0.7264	Intermediate Similarity	NPD3839	Phase 2
0.7264	Intermediate Similarity	NPD7767	Approved
0.7264	Intermediate Similarity	NPD3840	Phase 2
0.7245	Intermediate Similarity	NPD2880	Discontinued
0.7241	Intermediate Similarity	NPD5072	Discontinued
0.7234	Intermediate Similarity	NPD717	Approved
0.7225	Intermediate Similarity	NPD2591	Phase 2
0.722	Intermediate Similarity	NPD2363	Discontinued
0.7215	Intermediate Similarity	NPD5821	Approved
0.7211	Intermediate Similarity	NPD721	Approved
0.7207	Intermediate Similarity	NPD2927	Phase 3
0.7188	Intermediate Similarity	NPD2009	Clinical (unspecified phase)
0.7186	Intermediate Similarity	NPD6837	Clinical (unspecified phase)
0.7181	Intermediate Similarity	NPD5730	Phase 2
0.7181	Intermediate Similarity	NPD40	Phase 2
0.7171	Intermediate Similarity	NPD7657	Approved
0.7171	Intermediate Similarity	NPD7656	Approved
0.7164	Intermediate Similarity	NPD6229	Phase 2
0.7163	Intermediate Similarity	NPD4541	Clinical (unspecified phase)
0.7151	Intermediate Similarity	NPD966	Clinical (unspecified phase)
0.715	Intermediate Similarity	NPD2412	Clinical (unspecified phase)
0.7143	Intermediate Similarity	NPD7232	Discontinued
0.7128	Intermediate Similarity	NPD1272	Clinical (unspecified phase)
0.7121	Intermediate Similarity	NPD6469	Phase 3
0.7121	Intermediate Similarity	NPD6468	Clinical (unspecified phase)
0.7115	Intermediate Similarity	NPD1591	Approved
0.7103	Intermediate Similarity	NPD7887	Approved
0.7103	Intermediate Similarity	NPD7888	Approved
0.7098	Intermediate Similarity	NPD4988	Discontinued
0.7097	Intermediate Similarity	NPD3347	Clinical (unspecified phase)
0.7095	Intermediate Similarity	NPD6579	Phase 2
0.7092	Intermediate Similarity	NPD3403	Clinical (unspecified phase)
0.7059	Intermediate Similarity	NPD1037	Clinical (unspecified phase)
0.7056	Intermediate Similarity	NPD7694	Discontinued
0.7056	Intermediate Similarity	NPD7406	Phase 2
0.7053	Intermediate Similarity	NPD702	Clinical (unspecified phase)
0.7052	Intermediate Similarity	NPD569	Clinical (unspecified phase)
0.7047	Intermediate Similarity	NPD4902	Discontinued
0.7044	Intermediate Similarity	NPD7568	Phase 1
0.7044	Intermediate Similarity	NPD6271	Approved
0.7037	Intermediate Similarity	NPD4155	Approved
0.7027	Intermediate Similarity	NPD1215	Discontinued
0.702	Intermediate Similarity	NPD7023	Clinical (unspecified phase)
0.7014	Intermediate Similarity	NPD5827	Discontinued
0.6995	Remote Similarity	NPD4299	Phase 1
0.6995	Remote Similarity	NPD5000	Phase 2
0.6995	Remote Similarity	NPD4446	Approved
0.6978	Remote Similarity	NPD7398	Approved
0.6978	Remote Similarity	NPD7397	Approved
0.6973	Remote Similarity	NPD1313	Approved
0.6965	Remote Similarity	NPD8248	Clinical (unspecified phase)
0.6954	Remote Similarity	NPD6619	Phase 3
0.695	Remote Similarity	NPD5467	Phase 2
0.6944	Remote Similarity	NPD2660	Approved
0.6944	Remote Similarity	NPD2662	Approved
0.6935	Remote Similarity	NPD2392	Clinical (unspecified phase)
0.6935	Remote Similarity	NPD3361	Phase 1
0.6932	Remote Similarity	NPD4047	Discontinued
0.6932	Remote Similarity	NPD9724	Phase 1
0.6931	Remote Similarity	NPD7297	Phase 2
0.693	Remote Similarity	NPD5887	Clinical (unspecified phase)
0.6927	Remote Similarity	NPD1506	Discontinued
0.6927	Remote Similarity	NPD4011	Clinical (unspecified phase)
0.6923	Remote Similarity	NPD2770	Discontinued
0.6919	Remote Similarity	NPD3485	Clinical (unspecified phase)
0.6919	Remote Similarity	NPD6470	Phase 3
0.6911	Remote Similarity	NPD3432	Approved
0.69	Remote Similarity	NPD5446	Phase 2
0.6893	Remote Similarity	NPD6521	Phase 3
0.6893	Remote Similarity	NPD6486	Approved
0.6893	Remote Similarity	NPD6487	Approved
0.6893	Remote Similarity	NPD6520	Phase 3
0.6891	Remote Similarity	NPD2138	Approved
0.6891	Remote Similarity	NPD2137	Approved
0.6891	Remote Similarity	NPD4441	Phase 2
0.6889	Remote Similarity	NPD5807	Phase 2
0.6878	Remote Similarity	NPD6403	Clinical (unspecified phase)
0.6862	Remote Similarity	NPD2875	Clinical (unspecified phase)
0.6858	Remote Similarity	NPD7996	Phase 2
0.6853	Remote Similarity	NPD1043	Phase 3
0.6853	Remote Similarity	NPD3870	Clinical (unspecified phase)
0.6853	Remote Similarity	NPD3871	Clinical (unspecified phase)
0.684	Remote Similarity	NPD7776	Approved
0.6837	Remote Similarity	NPD3002	Clinical (unspecified phase)
0.6829	Remote Similarity	NPD5012	Phase 2
0.6821	Remote Similarity	NPD1308	Approved
0.6814	Remote Similarity	NPD3774	Approved
0.6814	Remote Similarity	NPD2807	Discontinued
0.6814	Remote Similarity	NPD3775	Approved
0.6814	Remote Similarity	NPD3773	Approved
0.681	Remote Similarity	NPD7557	Clinical (unspecified phase)
0.6809	Remote Similarity	NPD1292	Clinical (unspecified phase)
0.6808	Remote Similarity	NPD5199	Approved
0.6808	Remote Similarity	NPD5198	Approved
0.6804	Remote Similarity	NPD2111	Clinical (unspecified phase)
0.6804	Remote Similarity	NPD3512	Clinical (unspecified phase)
0.6792	Remote Similarity	NPD3805	Clinical (unspecified phase)
0.6792	Remote Similarity	NPD6218	Discontinued
0.6789	Remote Similarity	NPD1580	Clinical (unspecified phase)
0.6786	Remote Similarity	NPD3315	Phase 3
0.6786	Remote Similarity	NPD2793	Discontinued
0.6786	Remote Similarity	NPD6721	Phase 1
0.6784	Remote Similarity	NPD1919	Approved
0.6784	Remote Similarity	NPD1920	Approved
0.6779	Remote Similarity	NPD2819	Clinical (unspecified phase)
0.6771	Remote Similarity	NPD3041	Approved
0.6766	Remote Similarity	NPD3362	Clinical (unspecified phase)
0.6766	Remote Similarity	NPD4848	Phase 1
0.6758	Remote Similarity	NPD2400	Phase 2
0.6753	Remote Similarity	NPD4649	Clinical (unspecified phase)
0.6748	Remote Similarity	NPD7208	Approved
0.6748	Remote Similarity	NPD5425	Phase 1
0.6748	Remote Similarity	NPD7209	Approved
0.6748	Remote Similarity	NPD7207	Approved
0.6738	Remote Similarity	NPD1631	Approved
0.672	Remote Similarity	NPD2333	Discontinued
0.672	Remote Similarity	NPD2390	Clinical (unspecified phase)
0.6719	Remote Similarity	NPD2406	Clinical (unspecified phase)
0.6716	Remote Similarity	NPD1838	Clinical (unspecified phase)
0.6715	Remote Similarity	NPD7323	Phase 2
0.6714	Remote Similarity	NPD2812	Clinical (unspecified phase)
0.6714	Remote Similarity	NPD2813	Phase 3
0.6712	Remote Similarity	NPD1579	Discontinued
0.6704	Remote Similarity	NPD6017	Discontinued
0.6702	Remote Similarity	NPD5269	Clinical (unspecified phase)
0.6702	Remote Similarity	NPD4524	Discontinued
0.67	Remote Similarity	NPD6577	Clinical (unspecified phase)
0.67	Remote Similarity	NPD5885	Approved
0.6696	Remote Similarity	NPD3360	Clinical (unspecified phase)
0.6684	Remote Similarity	NPD3607	Clinical (unspecified phase)
0.6683	Remote Similarity	NPD6145	Phase 1
0.6682	Remote Similarity	NPD5533	Discontinued
0.6667	Remote Similarity	NPD3248	Phase 1
0.6667	Remote Similarity	NPD2004	Clinical (unspecified phase)
0.6667	Remote Similarity	NPD8050	Clinical (unspecified phase)
0.6667	Remote Similarity	NPD4736	Clinical (unspecified phase)
0.6667	Remote Similarity	NPD1630	Approved
0.6651	Remote Similarity	NPD4882	Clinical (unspecified phase)
0.6651	Remote Similarity	NPD4341	Clinical (unspecified phase)
0.6647	Remote Similarity	NPD1541	Approved
0.6636	Remote Similarity	NPD5907	Phase 3
0.6633	Remote Similarity	NPD7884	Discontinued
0.663	Remote Similarity	NPD737	Phase 2
0.6619	Remote Similarity	NPD2295	Clinical (unspecified phase)
0.6618	Remote Similarity	NPD1982	Phase 1
0.6618	Remote Similarity	NPD2947	Clinical (unspecified phase)
0.6618	Remote Similarity	NPD4364	Phase 1
0.6616	Remote Similarity	NPD3378	Clinical (unspecified phase)
0.6615	Remote Similarity	NPD2481	Approved
0.6615	Remote Similarity	NPD5473	Discontinued
0.6615	Remote Similarity	NPD2479	Phase 3
0.6614	Remote Similarity	NPD4550	Clinical (unspecified phase)
0.6614	Remote Similarity	NPD2915	Discontinued
0.6608	Remote Similarity	NPD7860	Clinical (unspecified phase)
0.6604	Remote Similarity	NPD2794	Discontinued
0.6603	Remote Similarity	NPD6135	Phase 1
0.6602	Remote Similarity	NPD3891	Phase 2
0.6602	Remote Similarity	NPD7817	Phase 1
0.6602	Remote Similarity	NPD3890	Phase 2
0.66	Remote Similarity	NPD2324	Approved
0.66	Remote Similarity	NPD5685	Approved

Structure

NPC476341 OpenBabel07101718312D 30 32 0 0 0 0 0 0 0 0999 V2000 -1.8745 10.0044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1520 10.1855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5609 7.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4752 4.2183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7456 1.3457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0571 8.1964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3519 5.0318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6831 -1.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8564 8.6032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1616 7.2019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5429 5.6196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2473 4.0373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6831 -0.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8171 -1.8090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2293 2.6360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6843 2.2293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9610 9.5977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6474 6.6141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3338 3.6305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0971 0.8073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7888 1.2348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8171 0.1910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9511 -1.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9511 -0.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5543 0.9605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5878 -0.8090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.6180 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2666 1.6623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5878 -0.8090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 2 17 1 0 0 0 0 3 18 1 0 0 0 0 4 19 1 0 0 0 0 5 20 1 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 8 13 2 0 0 0 0 8 14 1 0 0 0 0 9 17 2 0 0 0 0 10 18 1 0 0 0 0 11 18 2 0 0 0 0 12 19 1 0 0 0 0 13 22 1 0 0 0 0 14 23 2 0 0 0 0 15 16 1 0 0 0 0 15 19 2 0 0 0 0 16 21 1 0 0 0 0 20 21 2 0 0 0 0 20 28 1 0 0 0 0 21 25 1 0 0 0 0 22 24 2 0 0 0 0 22 25 1 0 0 0 0 23 24 1 0 0 0 0 23 27 1 0 0 0 0 24 28 1 0 0 0 0 25 29 2 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 26 30 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	13746957
ChEMBL	CHEMBL572424
ZINC

Physicochemical Properties

Molecular Weight:	404.25
ALogP:	3.8958
MLogP:	3.88
XLogP:	7.093
# Rotatable Bonds:	14
Polar Surface Area:	55.12
# H-Bond Aceptor:	3
# H-Bond Donor:	1
# Rings:	3
# Heavy Atoms:	30

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