NPASS Natural Product

Natural Product: NPC135549

Natural Product ID:	NPC135549
Common Name:	n.a.
IUPAC Name:
Synonyms:
Molecular Formula:	C19H14NO4
Standard InCHIKey:	IDEMWTMCJLNBDH-UHFFFAOYSA-N
Standard InCHI:	InChI=1S/C19H14NO4/c1-2-20-8-13-6-18-17(22-9-23-18)5-12(13)3-15(20)14-7-19-16(4-11(1)14)21-10-24-19/h3-8H,1-2,9-10H2/q+1
Canonical SMILES:	C1Oc2c(O1)cc1c(c2)c2cc3cc4OCOc4cc3c[n+]2CC1
First Find Year:
Max Developmental Stage:
Synthetic Gene Cluster:	;

Species Source

Organism ID	Organism Name	Taxonomy Level	Family	SuperKingdom	Reference
NPO25345	Corydalis ternata	Species	Papaveraceae	Eukaryota	TM-MC*
NPO13962	Corydalis turtschaninovii	Species	Papaveraceae	Eukaryota	TM-MC*
NPO827	Corydalis yanhusuo	Species	Papaveraceae	Eukaryota	TM-MC*

Biological Activity

Activity Type	# Activity
IC50	3

Activity Type	# Activity
Individual Protein	2
Others	1

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT2	Others	Unspecified		IC50	=	65200	nM	25277281
NPT1032	Individual Protein	Neuraminidase	Influenza A virus (strain A/USSR/90/1977 H1N1)	IC50	=	125700	nM	25277281
NPT1032	Individual Protein	Neuraminidase	Influenza A virus (strain A/USSR/90/1977 H1N1)	IC50	=	167000	nM	25277281

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 NPC135549 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	523
0.1-0.2	2490
0.2-0.3	9531
0.3-0.4	4085
0.4-0.5	9730
0.5-0.6	2802
0.6-0.7	1460
0.7-0.8	221
0.8-0.85	18
0.85-0.9	14
0.9-0.95	9
0.95-1	6

Similarity Score	Similarity Level	Natural Product ID
0.9784	High Similarity	NPC313189
0.9734	High Similarity	NPC171409
0.9734	High Similarity	NPC96405
0.9526	High Similarity	NPC202768
0.9526	High Similarity	NPC296482
0.9526	High Similarity	NPC53069
0.9459	High Similarity	NPC477019
0.9405	High Similarity	NPC476582
0.9405	High Similarity	NPC4071
0.9405	High Similarity	NPC476578
0.9355	High Similarity	NPC234197
0.9158	High Similarity	NPC476581
0.9158	High Similarity	NPC36229
0.9158	High Similarity	NPC16452
0.9	High Similarity	NPC31930
0.898	High Similarity	NPC271215
0.898	High Similarity	NPC149471
0.8978	High Similarity	NPC133140
0.8978	High Similarity	NPC195268
0.8945	High Similarity	NPC46451
0.8923	High Similarity	NPC188420
0.8832	High Similarity	NPC251160
0.8832	High Similarity	NPC202605
0.8832	High Similarity	NPC112206
0.88	High Similarity	NPC23614
0.88	High Similarity	NPC100079
0.8744	High Similarity	NPC235076
0.8731	High Similarity	NPC290689
0.8614	High Similarity	NPC204446
0.8495	Intermediate Similarity	NPC206201
0.8483	Intermediate Similarity	NPC253675
0.8447	Intermediate Similarity	NPC118121
0.8316	Intermediate Similarity	NPC204385
0.8223	Intermediate Similarity	NPC287437
0.8208	Intermediate Similarity	NPC278525
0.8178	Intermediate Similarity	NPC22481
0.8173	Intermediate Similarity	NPC174049
0.8146	Intermediate Similarity	NPC236668
0.8107	Intermediate Similarity	NPC146976
0.8102	Intermediate Similarity	NPC108342
0.8069	Intermediate Similarity	NPC323345
0.8069	Intermediate Similarity	NPC470164
0.8065	Intermediate Similarity	NPC182907
0.8065	Intermediate Similarity	NPC189903
0.8032	Intermediate Similarity	NPC312872
0.8028	Intermediate Similarity	NPC166722
0.8018	Intermediate Similarity	NPC295228
0.799	Intermediate Similarity	NPC473822
0.7971	Intermediate Similarity	NPC266931
0.7955	Intermediate Similarity	NPC210296
0.7925	Intermediate Similarity	NPC122463
0.7917	Intermediate Similarity	NPC201508
0.7857	Intermediate Similarity	NPC473513
0.7848	Intermediate Similarity	NPC124313
0.7844	Intermediate Similarity	NPC255800
0.7844	Intermediate Similarity	NPC96584
0.784	Intermediate Similarity	NPC210434
0.784	Intermediate Similarity	NPC280272
0.7838	Intermediate Similarity	NPC84164
0.7838	Intermediate Similarity	NPC207283
0.7826	Intermediate Similarity	NPC470020
0.7807	Intermediate Similarity	NPC24954
0.7799	Intermediate Similarity	NPC162530
0.7794	Intermediate Similarity	NPC475774
0.7756	Intermediate Similarity	NPC285558
0.774	Intermediate Similarity	NPC123976
0.774	Intermediate Similarity	NPC167860
0.7736	Intermediate Similarity	NPC173080
0.7729	Intermediate Similarity	NPC82548
0.7706	Intermediate Similarity	NPC24019
0.7703	Intermediate Similarity	NPC208284
0.7681	Intermediate Similarity	NPC474595
0.7675	Intermediate Similarity	NPC183537
0.7671	Intermediate Similarity	NPC476999
0.7667	Intermediate Similarity	NPC316981
0.7661	Intermediate Similarity	NPC476997
0.7661	Intermediate Similarity	NPC476994
0.7647	Intermediate Similarity	NPC176538
0.7626	Intermediate Similarity	NPC476996
0.7626	Intermediate Similarity	NPC476998
0.7617	Intermediate Similarity	NPC193267
0.7617	Intermediate Similarity	NPC213530
0.7612	Intermediate Similarity	NPC329541
0.7608	Intermediate Similarity	NPC469589
0.7608	Intermediate Similarity	NPC174758
0.76	Intermediate Similarity	NPC92111
0.7598	Intermediate Similarity	NPC77878
0.759	Intermediate Similarity	NPC287588
0.7588	Intermediate Similarity	NPC296527
0.7586	Intermediate Similarity	NPC224928
0.7585	Intermediate Similarity	NPC264166
0.7585	Intermediate Similarity	NPC274291
0.7585	Intermediate Similarity	NPC329708
0.7585	Intermediate Similarity	NPC165349
0.7585	Intermediate Similarity	NPC47059
0.7585	Intermediate Similarity	NPC118832
0.7569	Intermediate Similarity	NPC214980
0.7563	Intermediate Similarity	NPC284559
0.7557	Intermediate Similarity	NPC233334
0.7556	Intermediate Similarity	NPC99891
0.755	Intermediate Similarity	NPC76748
0.7548	Intermediate Similarity	NPC472111
0.7537	Intermediate Similarity	NPC251090
0.7535	Intermediate Similarity	NPC148409
0.7527	Intermediate Similarity	NPC210148
0.7527	Intermediate Similarity	NPC233029
0.7525	Intermediate Similarity	NPC307963
0.7525	Intermediate Similarity	NPC249405
0.7524	Intermediate Similarity	NPC232727
0.75	Intermediate Similarity	NPC472098
0.75	Intermediate Similarity	NPC476995
0.7489	Intermediate Similarity	NPC90875
0.7478	Intermediate Similarity	NPC217554
0.7475	Intermediate Similarity	NPC179704
0.7463	Intermediate Similarity	NPC312531
0.7456	Intermediate Similarity	NPC284141
0.7441	Intermediate Similarity	NPC174672
0.7421	Intermediate Similarity	NPC314954
0.7407	Intermediate Similarity	NPC234392
0.7407	Intermediate Similarity	NPC31311
0.7404	Intermediate Similarity	NPC135887
0.7404	Intermediate Similarity	NPC199277
0.7399	Intermediate Similarity	NPC469554
0.7397	Intermediate Similarity	NPC322482
0.7395	Intermediate Similarity	NPC274982
0.7395	Intermediate Similarity	NPC170114
0.7391	Intermediate Similarity	NPC329793
0.7389	Intermediate Similarity	NPC11408
0.7383	Intermediate Similarity	NPC474594
0.7381	Intermediate Similarity	NPC475841
0.7381	Intermediate Similarity	NPC474145
0.7379	Intermediate Similarity	NPC127085
0.7368	Intermediate Similarity	NPC476138
0.7368	Intermediate Similarity	NPC245816
0.7359	Intermediate Similarity	NPC270515
0.7354	Intermediate Similarity	NPC26850
0.7353	Intermediate Similarity	NPC302001
0.7349	Intermediate Similarity	NPC470549
0.7336	Intermediate Similarity	NPC94157
0.7336	Intermediate Similarity	NPC15406
0.733	Intermediate Similarity	NPC177404
0.733	Intermediate Similarity	NPC267928
0.733	Intermediate Similarity	NPC470018
0.7325	Intermediate Similarity	NPC119134
0.7321	Intermediate Similarity	NPC101543
0.7309	Intermediate Similarity	NPC469792
0.7308	Intermediate Similarity	NPC11017
0.7304	Intermediate Similarity	NPC114335
0.7304	Intermediate Similarity	NPC141915
0.7304	Intermediate Similarity	NPC280964
0.7304	Intermediate Similarity	NPC99666
0.7302	Intermediate Similarity	NPC469592
0.7302	Intermediate Similarity	NPC471080
0.7297	Intermediate Similarity	NPC74575
0.7287	Intermediate Similarity	NPC476568
0.7282	Intermediate Similarity	NPC162653
0.7277	Intermediate Similarity	NPC303374
0.7269	Intermediate Similarity	NPC473183
0.7265	Intermediate Similarity	NPC246381
0.7263	Intermediate Similarity	NPC138487
0.7263	Intermediate Similarity	NPC41178
0.7263	Intermediate Similarity	NPC216459
0.726	Intermediate Similarity	NPC54066
0.7256	Intermediate Similarity	NPC264176
0.725	Intermediate Similarity	NPC176127
0.7248	Intermediate Similarity	NPC469594
0.724	Intermediate Similarity	NPC477080
0.724	Intermediate Similarity	NPC216816
0.723	Intermediate Similarity	NPC287208
0.723	Intermediate Similarity	NPC470931
0.7229	Intermediate Similarity	NPC472434
0.7225	Intermediate Similarity	NPC146288
0.7225	Intermediate Similarity	NPC329747
0.7225	Intermediate Similarity	NPC315957
0.7219	Intermediate Similarity	NPC475959
0.7215	Intermediate Similarity	NPC308906
0.7215	Intermediate Similarity	NPC17565
0.7206	Intermediate Similarity	NPC474904
0.7204	Intermediate Similarity	NPC223427
0.7198	Intermediate Similarity	NPC13880
0.7196	Intermediate Similarity	NPC185782
0.719	Intermediate Similarity	NPC295676
0.7182	Intermediate Similarity	NPC472099
0.7181	Intermediate Similarity	NPC473184
0.7176	Intermediate Similarity	NPC26679
0.7173	Intermediate Similarity	NPC93593
0.7168	Intermediate Similarity	NPC49547
0.7163	Intermediate Similarity	NPC11464
0.7157	Intermediate Similarity	NPC477186
0.7156	Intermediate Similarity	NPC211813
0.7156	Intermediate Similarity	NPC295898
0.715	Intermediate Similarity	NPC131017
0.715	Intermediate Similarity	NPC111485
0.715	Intermediate Similarity	NPC475910
0.7149	Intermediate Similarity	NPC470017
0.7149	Intermediate Similarity	NPC60621
0.7143	Intermediate Similarity	NPC476518
0.7143	Intermediate Similarity	NPC19872
0.7143	Intermediate Similarity	NPC476287
0.7136	Intermediate Similarity	NPC285941

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC135549 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	281
0.1-0.2	724
0.2-0.3	977
0.3-0.4	1381
0.4-0.5	2658
0.5-0.6	2167
0.6-0.7	833
0.7-0.8	130
0.8-0.85	3
0.85-0.9	5
0.9-0.95	0
0.95-1	2

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.9526	High Similarity	NPD3816	Phase 1
0.9526	High Similarity	NPD3815	Phase 1
0.8978	High Similarity	NPD3924	Approved
0.8978	High Similarity	NPD3923	Approved
0.8978	High Similarity	NPD3922	Approved
0.8978	High Similarity	NPD3921	Approved
0.8945	High Similarity	NPD3763	Approved
0.8387	Intermediate Similarity	NPD3920	Phase 2
0.8083	Intermediate Similarity	NPD6257	Clinical (unspecified phase)
0.8047	Intermediate Similarity	NPD4885	Approved
0.792	Intermediate Similarity	NPD4926	Clinical (unspecified phase)
0.7919	Intermediate Similarity	NPD6569	Phase 2
0.7902	Intermediate Similarity	NPD5658	Approved
0.7885	Intermediate Similarity	NPD7571	Clinical (unspecified phase)
0.7839	Intermediate Similarity	NPD4418	Discontinued
0.7824	Intermediate Similarity	NPD7414	Clinical (unspecified phase)
0.7795	Intermediate Similarity	NPD4889	Approved
0.7763	Intermediate Similarity	NPD6494	Phase 2
0.7749	Intermediate Similarity	NPD1923	Clinical (unspecified phase)
0.7746	Intermediate Similarity	NPD5070	Clinical (unspecified phase)
0.7718	Intermediate Similarity	NPD2060	Approved
0.7689	Intermediate Similarity	NPD6230	Discontinued
0.7681	Intermediate Similarity	NPD7222	Phase 2
0.7647	Intermediate Similarity	NPD6219	Discontinued
0.7644	Intermediate Similarity	NPD5863	Clinical (unspecified phase)
0.7585	Intermediate Similarity	NPD4036	Approved
0.7585	Intermediate Similarity	NPD4039	Approved
0.7585	Intermediate Similarity	NPD4033	Approved
0.7585	Intermediate Similarity	NPD4035	Approved
0.7585	Intermediate Similarity	NPD4037	Approved
0.7585	Intermediate Similarity	NPD4122	Approved
0.7585	Intermediate Similarity	NPD32	Approved
0.7585	Intermediate Similarity	NPD31	Approved
0.7585	Intermediate Similarity	NPD4038	Approved
0.7585	Intermediate Similarity	NPD4034	Approved
0.7583	Intermediate Similarity	NPD7069	Discontinued
0.7573	Intermediate Similarity	NPD6477	Clinical (unspecified phase)
0.7559	Intermediate Similarity	NPD5612	Discontinued
0.7545	Intermediate Similarity	NPD7729	Clinical (unspecified phase)
0.7537	Intermediate Similarity	NPD3478	Clinical (unspecified phase)
0.7537	Intermediate Similarity	NPD3477	Phase 2
0.7526	Intermediate Similarity	NPD2780	Approved
0.7526	Intermediate Similarity	NPD2782	Approved
0.7525	Intermediate Similarity	NPD1038	Approved
0.7525	Intermediate Similarity	NPD1304	Clinical (unspecified phase)
0.7512	Intermediate Similarity	NPD6140	Clinical (unspecified phase)
0.75	Intermediate Similarity	NPD3397	Phase 2
0.7488	Intermediate Similarity	NPD6861	Clinical (unspecified phase)
0.7448	Intermediate Similarity	NPD2781	Approved
0.7448	Intermediate Similarity	NPD6872	Clinical (unspecified phase)
0.7437	Intermediate Similarity	NPD7424	Clinical (unspecified phase)
0.7437	Intermediate Similarity	NPD6344	Clinical (unspecified phase)
0.7429	Intermediate Similarity	NPD7453	Approved
0.7429	Intermediate Similarity	NPD7452	Approved
0.7416	Intermediate Similarity	NPD4795	Phase 2
0.7411	Intermediate Similarity	NPD6963	Approved
0.7411	Intermediate Similarity	NPD6964	Approved
0.7391	Intermediate Similarity	NPD4396	Clinical (unspecified phase)
0.7381	Intermediate Similarity	NPD5601	Phase 2
0.7376	Intermediate Similarity	NPD6281	Approved
0.7371	Intermediate Similarity	NPD1078	Clinical (unspecified phase)
0.7362	Intermediate Similarity	NPD8091	Phase 3
0.7353	Intermediate Similarity	NPD4551	Phase 2
0.7343	Intermediate Similarity	NPD3825	Phase 3
0.7343	Intermediate Similarity	NPD4118	Clinical (unspecified phase)
0.733	Intermediate Similarity	NPD7676	Clinical (unspecified phase)
0.733	Intermediate Similarity	NPD7675	Phase 3
0.733	Intermediate Similarity	NPD7674	Phase 3
0.7327	Intermediate Similarity	NPD6568	Discontinued
0.7313	Intermediate Similarity	NPD6727	Phase 2
0.731	Intermediate Similarity	NPD1032	Phase 2
0.7309	Intermediate Similarity	NPD8052	Clinical (unspecified phase)
0.7309	Intermediate Similarity	NPD7567	Approved
0.7299	Intermediate Similarity	NPD5530	Phase 1
0.7297	Intermediate Similarity	NPD6553	Clinical (unspecified phase)
0.7296	Intermediate Similarity	NPD5602	Clinical (unspecified phase)
0.7286	Intermediate Similarity	NPD3386	Phase 2
0.7285	Intermediate Similarity	NPD7719	Discontinued
0.7277	Intermediate Similarity	NPD1034	Phase 3
0.7277	Intermediate Similarity	NPD1033	Clinical (unspecified phase)
0.7248	Intermediate Similarity	NPD3354	Phase 2
0.7227	Intermediate Similarity	NPD5147	Discontinued
0.7225	Intermediate Similarity	NPD1739	Approved
0.7225	Intermediate Similarity	NPD1740	Approved
0.7217	Intermediate Similarity	NPD6517	Phase 3
0.7217	Intermediate Similarity	NPD4875	Phase 3
0.7217	Intermediate Similarity	NPD4876	Phase 3
0.7212	Intermediate Similarity	NPD7558	Phase 2
0.7209	Intermediate Similarity	NPD4131	Phase 3
0.7202	Intermediate Similarity	NPD7823	Clinical (unspecified phase)
0.7198	Intermediate Similarity	NPD8100	Phase 3
0.7195	Intermediate Similarity	NPD1856	Discontinued
0.7191	Intermediate Similarity	NPD7859	Phase 2
0.7184	Intermediate Similarity	NPD5575	Clinical (unspecified phase)
0.7182	Intermediate Similarity	NPD6242	Discontinued
0.7175	Intermediate Similarity	NPD7426	Phase 1
0.7171	Intermediate Similarity	NPD2334	Discontinued
0.7156	Intermediate Similarity	NPD5801	Clinical (unspecified phase)
0.715	Intermediate Similarity	NPD2739	Clinical (unspecified phase)
0.7143	Intermediate Similarity	NPD7169	Suspended
0.7143	Intermediate Similarity	NPD4375	Approved
0.7136	Intermediate Similarity	NPD6500	Approved
0.7136	Intermediate Similarity	NPD6501	Approved
0.713	Intermediate Similarity	NPD7025	Clinical (unspecified phase)
0.713	Intermediate Similarity	NPD8017	Clinical (unspecified phase)
0.713	Intermediate Similarity	NPD4502	Phase 2
0.713	Intermediate Similarity	NPD8016	Phase 3
0.7122	Intermediate Similarity	NPD8063	Discontinued
0.7117	Intermediate Similarity	NPD1954	Phase 1
0.7114	Intermediate Similarity	NPD4204	Approved
0.7114	Intermediate Similarity	NPD4203	Approved
0.7111	Intermediate Similarity	NPD7555	Discontinued
0.7111	Intermediate Similarity	NPD5559	Phase 2
0.711	Intermediate Similarity	NPD5903	Approved
0.711	Intermediate Similarity	NPD5902	Approved
0.7106	Intermediate Similarity	NPD8101	Phase 3
0.7104	Intermediate Similarity	NPD5930	Phase 3
0.7098	Intermediate Similarity	NPD112	Approved
0.7098	Intermediate Similarity	NPD9705	Discontinued
0.7081	Intermediate Similarity	NPD7948	Phase 1
0.7076	Intermediate Similarity	NPD6503	Clinical (unspecified phase)
0.7072	Intermediate Similarity	NPD6298	Discontinued
0.707	Intermediate Similarity	NPD5528	Clinical (unspecified phase)
0.707	Intermediate Similarity	NPD2189	Approved
0.707	Intermediate Similarity	NPD5529	Phase 1
0.707	Intermediate Similarity	NPD2187	Approved
0.7067	Intermediate Similarity	NPD3396	Approved
0.7067	Intermediate Similarity	NPD3324	Clinical (unspecified phase)
0.7067	Intermediate Similarity	NPD3395	Approved
0.7059	Intermediate Similarity	NPD2917	Approved
0.7044	Intermediate Similarity	NPD5083	Clinical (unspecified phase)
0.7035	Intermediate Similarity	NPD7710	Clinical (unspecified phase)
0.7034	Intermediate Similarity	NPD6244	Phase 3
0.7034	Intermediate Similarity	NPD6243	Phase 3
0.7027	Intermediate Similarity	NPD7678	Clinical (unspecified phase)
0.7014	Intermediate Similarity	NPD4548	Discontinued
0.7014	Intermediate Similarity	NPD3541	Clinical (unspecified phase)
0.7014	Intermediate Similarity	NPD8109	Clinical (unspecified phase)
0.7004	Intermediate Similarity	NPD4925	Approved
0.7	Intermediate Similarity	NPD7112	Discontinued
0.6995	Remote Similarity	NPD5522	Clinical (unspecified phase)
0.6983	Remote Similarity	NPD7885	Phase 2
0.6983	Remote Similarity	NPD7886	Phase 2
0.6982	Remote Similarity	NPD3402	Phase 1
0.698	Remote Similarity	NPD2599	Approved
0.698	Remote Similarity	NPD2601	Approved
0.698	Remote Similarity	NPD2600	Approved
0.6976	Remote Similarity	NPD4920	Clinical (unspecified phase)
0.6976	Remote Similarity	NPD4921	Phase 3
0.6976	Remote Similarity	NPD4919	Phase 3
0.6974	Remote Similarity	NPD4995	Approved
0.6974	Remote Similarity	NPD4996	Approved
0.6972	Remote Similarity	NPD5067	Phase 2
0.6972	Remote Similarity	NPD5066	Phase 2
0.6971	Remote Similarity	NPD4372	Phase 1
0.6971	Remote Similarity	NPD7955	Approved
0.6971	Remote Similarity	NPD7956	Approved
0.697	Remote Similarity	NPD5805	Approved
0.6966	Remote Similarity	NPD7620	Phase 2
0.6965	Remote Similarity	NPD4071	Approved
0.6965	Remote Similarity	NPD5751	Clinical (unspecified phase)
0.6965	Remote Similarity	NPD4072	Approved
0.6957	Remote Similarity	NPD2757	Phase 2
0.6953	Remote Similarity	NPD6790	Phase 1
0.6952	Remote Similarity	NPD5512	Phase 3
0.6952	Remote Similarity	NPD6550	Discontinued
0.6944	Remote Similarity	NPD1392	Approved
0.6944	Remote Similarity	NPD5429	Discontinued
0.6942	Remote Similarity	NPD7708	Approved
0.6937	Remote Similarity	NPD3313	Phase 2
0.6931	Remote Similarity	NPD1620	Clinical (unspecified phase)
0.693	Remote Similarity	NPD1900	Clinical (unspecified phase)
0.693	Remote Similarity	NPD8512	Phase 3
0.6927	Remote Similarity	NPD6262	Clinical (unspecified phase)
0.6923	Remote Similarity	NPD2358	Clinical (unspecified phase)
0.6916	Remote Similarity	NPD6975	Discontinued
0.6912	Remote Similarity	NPD7671	Approved
0.6912	Remote Similarity	NPD7672	Approved
0.6909	Remote Similarity	NPD5945	Phase 1
0.6909	Remote Similarity	NPD5944	Phase 1
0.6909	Remote Similarity	NPD1322	Clinical (unspecified phase)
0.6908	Remote Similarity	NPD3349	Phase 2
0.6908	Remote Similarity	NPD4021	Phase 2
0.6907	Remote Similarity	NPD2582	Approved
0.6907	Remote Similarity	NPD2581	Approved
0.6905	Remote Similarity	NPD6590	Discontinued
0.6905	Remote Similarity	NPD6491	Clinical (unspecified phase)
0.6905	Remote Similarity	NPD1602	Discontinued
0.6898	Remote Similarity	NPD6216	Approved
0.6898	Remote Similarity	NPD8403	Phase 1
0.6898	Remote Similarity	NPD3003	Approved
0.6895	Remote Similarity	NPD4584	Approved
0.6891	Remote Similarity	NPD6525	Clinical (unspecified phase)
0.6884	Remote Similarity	NPD6991	Approved
0.6878	Remote Similarity	NPD6276	Discontinued
0.6875	Remote Similarity	NPD3408	Clinical (unspecified phase)
0.6875	Remote Similarity	NPD8479	Phase 2
0.6875	Remote Similarity	NPD6856	Discontinued
0.6872	Remote Similarity	NPD2482	Clinical (unspecified phase)
0.6872	Remote Similarity	NPD7051	Phase 3

Structure

CID135549 OpenBabel06191715492D 24 29 0 0 0 0 0 0 0 0999 V2000 -0.2079 -3.9781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0739 -4.4781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8060 -2.4781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6581 -2.4781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5380 -2.4781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5380 -4.4781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0739 -1.4781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8060 -4.4781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9429 -3.4781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9945 0.1045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2079 -2.9781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6720 -2.9781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6720 -3.9781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0739 -2.4781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9400 -2.9781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6581 -1.4781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4041 -2.9781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4041 -3.9781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2079 -0.9781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9400 -3.9781 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 1.4013 -0.8090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3551 -2.6691 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3551 -4.2872 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 2 1 0 0 0 0 1 11 1 0 0 0 0 2 20 1 0 0 0 0 3 12 2 0 0 0 0 3 15 1 0 0 0 0 4 11 2 0 0 0 0 4 16 1 0 0 0 0 5 12 1 0 0 0 0 5 17 2 0 0 0 0 6 13 1 0 0 0 0 6 18 2 0 0 0 0 7 14 2 0 0 0 0 7 19 1 0 0 0 0 8 13 2 0 0 0 0 8 20 1 0 0 0 0 9 22 1 0 0 0 0 9 23 1 0 0 0 0 10 21 1 0 0 0 0 10 24 1 0 0 0 0 11 14 1 0 0 0 0 12 13 1 0 0 0 0 14 15 1 0 0 0 0 15 20 2 0 0 0 0 16 19 2 0 0 0 0 16 21 1 0 0 0 0 17 18 1 0 0 0 0 17 22 1 0 0 0 0 18 23 1 0 0 0 0 19 24 1 0 0 0 0 M CHG 1 20 1 M END $$$$

External Identifiers

PubChem CID	15520811
ChEMBL	CHEMBL3343659
ZINC

Physicochemical Properties

Molecular Weight:	320.09
ALogP:	-1.7821
MLogP:	3
XLogP:	2.823
# Rotatable Bonds:	0
Polar Surface Area:	40.8
# H-Bond Aceptor:	0
# H-Bond Donor:	0
# Rings:	6
# Heavy Atoms:	24

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