NPASS Natural Product

Natural Product: NPC476116

Natural Product ID:	NPC476116
Common Name:	Janussine A
IUPAC Name:
Synonyms:
Molecular Formula:	C29H32N4O
Standard InCHIKey:	VNSRPOPXZODCJM-UHFFFAOYSA-N
Standard InCHI:	InChI=1S/C29H32N4O/c1-16-23-15-32-11-9-20-22-14-18(34)6-7-24(22)31-28(20)27(32)13-17(23)12-25-29-21(8-10-30-25)19-4-2-3-5-26(19)33(16)29/h2-7,14-17,21,25,27,29-31,34H,8-13H2,1H3
Canonical SMILES:	Oc1ccc2c(c1)c1CCN3C(c1[nH]2)CC1C(=C3)C(C)N2C3C(C1)NCCC3c1c2cccc1
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
NPO15372	Strychnos johnsonii	Species	Loganiaceae	Eukaryota				PMID[12398531]

Biological Activity

Activity Type	# Activity
IC50	6
Others	6

Activity Type	# Activity
Organism	12

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT6	Organism	Plasmodium falciparum	Plasmodium falciparum	IC50	=	15900	nM	18694951
NPT6	Organism	Plasmodium falciparum	Plasmodium falciparum	IC50	=	12600	nM	10843569
NPT6	Organism	Plasmodium falciparum	Plasmodium falciparum	IC90	=	30900	nM	26331426
NPT6	Organism	Plasmodium falciparum	Plasmodium falciparum	IC90	=	28300	nM	15568791
NPT6	Organism	Plasmodium falciparum	Plasmodium falciparum	IC90	=	27800	nM	15568791
NPT6	Organism	Plasmodium falciparum	Plasmodium falciparum	IC90	=	27600	nM	15568791
NPT6	Organism	Plasmodium falciparum	Plasmodium falciparum	IC90	=	33100	nM	15568791
NPT6	Organism	Plasmodium falciparum	Plasmodium falciparum	IC50	=	12700	nM	15974609
NPT6	Organism	Plasmodium falciparum	Plasmodium falciparum	IC50	=	4750	nM	14698199
NPT6	Organism	Plasmodium falciparum	Plasmodium falciparum	IC50	=	17000	nM	26832222
NPT6	Organism	Plasmodium falciparum	Plasmodium falciparum	IC90	=	34900	nM	26917219
NPT6	Organism	Plasmodium falciparum	Plasmodium falciparum	IC50	=	9550	nM	15104490

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 NPC476116 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	461
0.1-0.2	2389
0.2-0.3	10029
0.3-0.4	9800
0.4-0.5	4620
0.5-0.6	2051
0.6-0.7	1080
0.7-0.8	423
0.8-0.85	29
0.85-0.9	7
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Natural Product ID
0.8945	High Similarity	NPC304926
0.8945	High Similarity	NPC476041
0.8854	High Similarity	NPC249040
0.8738	High Similarity	NPC470126
0.8614	High Similarity	NPC183407
0.8579	High Similarity	NPC475070
0.8517	High Similarity	NPC253580
0.8454	Intermediate Similarity	NPC280272
0.8381	Intermediate Similarity	NPC6215
0.8376	Intermediate Similarity	NPC329793
0.8325	Intermediate Similarity	NPC171171
0.8299	Intermediate Similarity	NPC99666
0.822	Intermediate Similarity	NPC472294
0.822	Intermediate Similarity	NPC204717
0.8211	Intermediate Similarity	NPC81175
0.8201	Intermediate Similarity	NPC88363
0.8177	Intermediate Similarity	NPC314002
0.8168	Intermediate Similarity	NPC220765
0.8164	Intermediate Similarity	NPC469928
0.8131	Intermediate Similarity	NPC77555
0.8104	Intermediate Similarity	NPC162748
0.8103	Intermediate Similarity	NPC469497
0.8103	Intermediate Similarity	NPC106833
0.8098	Intermediate Similarity	NPC5145
0.8079	Intermediate Similarity	NPC475841
0.8079	Intermediate Similarity	NPC474145
0.8069	Intermediate Similarity	NPC476098
0.8069	Intermediate Similarity	NPC223427
0.8068	Intermediate Similarity	NPC477610
0.8068	Intermediate Similarity	NPC478074
0.8051	Intermediate Similarity	NPC128751
0.8051	Intermediate Similarity	NPC246700
0.8037	Intermediate Similarity	NPC41679
0.8028	Intermediate Similarity	NPC295228
0.801	Intermediate Similarity	NPC72980
0.8009	Intermediate Similarity	NPC476451
0.7981	Intermediate Similarity	NPC469592
0.7981	Intermediate Similarity	NPC471080
0.7958	Intermediate Similarity	NPC184964
0.7929	Intermediate Similarity	NPC324149
0.7926	Intermediate Similarity	NPC317430
0.7923	Intermediate Similarity	NPC471304
0.7923	Intermediate Similarity	NPC475422
0.7913	Intermediate Similarity	NPC87755
0.7913	Intermediate Similarity	NPC475910
0.7892	Intermediate Similarity	NPC475990
0.7887	Intermediate Similarity	NPC176127
0.7864	Intermediate Similarity	NPC53344
0.785	Intermediate Similarity	NPC276517
0.7848	Intermediate Similarity	NPC478081
0.7838	Intermediate Similarity	NPC477861
0.7833	Intermediate Similarity	NPC329747
0.783	Intermediate Similarity	NPC477609
0.783	Intermediate Similarity	NPC469594
0.7816	Intermediate Similarity	NPC472111
0.7806	Intermediate Similarity	NPC15102
0.7803	Intermediate Similarity	NPC477066
0.7801	Intermediate Similarity	NPC472123
0.7801	Intermediate Similarity	NPC474409
0.7798	Intermediate Similarity	NPC326363
0.7783	Intermediate Similarity	NPC476167
0.7783	Intermediate Similarity	NPC477549
0.7778	Intermediate Similarity	NPC270918
0.7772	Intermediate Similarity	NPC153042
0.7772	Intermediate Similarity	NPC156704
0.7768	Intermediate Similarity	NPC478082
0.7768	Intermediate Similarity	NPC477067
0.7756	Intermediate Similarity	NPC211813
0.7745	Intermediate Similarity	NPC176538
0.7736	Intermediate Similarity	NPC330009
0.7734	Intermediate Similarity	NPC192315
0.7731	Intermediate Similarity	NPC130570
0.7727	Intermediate Similarity	NPC46580
0.7723	Intermediate Similarity	NPC242209
0.7716	Intermediate Similarity	NPC94943
0.7711	Intermediate Similarity	NPC307963
0.771	Intermediate Similarity	NPC255110
0.771	Intermediate Similarity	NPC213530
0.771	Intermediate Similarity	NPC193267
0.7709	Intermediate Similarity	NPC471891
0.7701	Intermediate Similarity	NPC221786
0.7701	Intermediate Similarity	NPC474880
0.77	Intermediate Similarity	NPC92111
0.7689	Intermediate Similarity	NPC473312
0.7688	Intermediate Similarity	NPC32771
0.7671	Intermediate Similarity	NPC477608
0.7671	Intermediate Similarity	NPC477607
0.7668	Intermediate Similarity	NPC189812
0.7668	Intermediate Similarity	NPC329688
0.7667	Intermediate Similarity	NPC126066
0.7665	Intermediate Similarity	NPC190007
0.7664	Intermediate Similarity	NPC96321
0.7662	Intermediate Similarity	NPC478080
0.7659	Intermediate Similarity	NPC315491
0.7659	Intermediate Similarity	NPC45459
0.7658	Intermediate Similarity	NPC325976
0.7656	Intermediate Similarity	NPC477111
0.765	Intermediate Similarity	NPC76748
0.7647	Intermediate Similarity	NPC207686
0.7644	Intermediate Similarity	NPC477113
0.7642	Intermediate Similarity	NPC266931
0.7641	Intermediate Similarity	NPC232340
0.7635	Intermediate Similarity	NPC251090
0.7632	Intermediate Similarity	NPC17437
0.7619	Intermediate Similarity	NPC469589
0.7617	Intermediate Similarity	NPC469727
0.7614	Intermediate Similarity	NPC139291
0.7614	Intermediate Similarity	NPC472108
0.7614	Intermediate Similarity	NPC212535
0.7611	Intermediate Similarity	NPC473540
0.7608	Intermediate Similarity	NPC166492
0.7608	Intermediate Similarity	NPC473362
0.76	Intermediate Similarity	NPC296527
0.7598	Intermediate Similarity	NPC232130
0.7596	Intermediate Similarity	NPC285558
0.7593	Intermediate Similarity	NPC132642
0.7591	Intermediate Similarity	NPC314954
0.759	Intermediate Similarity	NPC59269
0.759	Intermediate Similarity	NPC326575
0.758	Intermediate Similarity	NPC60006
0.7573	Intermediate Similarity	NPC213308
0.7566	Intermediate Similarity	NPC229173
0.7547	Intermediate Similarity	NPC208284
0.7534	Intermediate Similarity	NPC245348
0.7533	Intermediate Similarity	NPC39092
0.7512	Intermediate Similarity	NPC470500
0.7512	Intermediate Similarity	NPC472099
0.7512	Intermediate Similarity	NPC276657
0.7512	Intermediate Similarity	NPC294620
0.7512	Intermediate Similarity	NPC94157
0.75	Intermediate Similarity	NPC141353
0.75	Intermediate Similarity	NPC167860
0.75	Intermediate Similarity	NPC214980
0.75	Intermediate Similarity	NPC123976
0.75	Intermediate Similarity	NPC326634
0.75	Intermediate Similarity	NPC319232
0.75	Intermediate Similarity	NPC24370
0.7489	Intermediate Similarity	NPC469554
0.7489	Intermediate Similarity	NPC475720
0.7489	Intermediate Similarity	NPC474192
0.7489	Intermediate Similarity	NPC101543
0.7488	Intermediate Similarity	NPC477110
0.7477	Intermediate Similarity	NPC471506
0.7477	Intermediate Similarity	NPC209174
0.7476	Intermediate Similarity	NPC265576
0.7476	Intermediate Similarity	NPC306376
0.7468	Intermediate Similarity	NPC329982
0.7466	Intermediate Similarity	NPC473185
0.7466	Intermediate Similarity	NPC478078
0.7461	Intermediate Similarity	NPC63751
0.7456	Intermediate Similarity	NPC171393
0.7456	Intermediate Similarity	NPC295452
0.7454	Intermediate Similarity	NPC305984
0.7444	Intermediate Similarity	NPC477531
0.7441	Intermediate Similarity	NPC193777
0.7437	Intermediate Similarity	NPC19679
0.7437	Intermediate Similarity	NPC472109
0.7437	Intermediate Similarity	NPC472110
0.7436	Intermediate Similarity	NPC471294
0.7436	Intermediate Similarity	NPC259545
0.7435	Intermediate Similarity	NPC469734
0.7434	Intermediate Similarity	NPC184225
0.7432	Intermediate Similarity	NPC252251
0.7432	Intermediate Similarity	NPC311906
0.743	Intermediate Similarity	NPC472098
0.743	Intermediate Similarity	NPC48353
0.7419	Intermediate Similarity	NPC303658
0.7416	Intermediate Similarity	NPC199277
0.7416	Intermediate Similarity	NPC135887
0.7411	Intermediate Similarity	NPC96890
0.7409	Intermediate Similarity	NPC49954
0.7409	Intermediate Similarity	NPC474561
0.7407	Intermediate Similarity	NPC285469
0.74	Intermediate Similarity	NPC84478
0.7397	Intermediate Similarity	NPC477532
0.7396	Intermediate Similarity	NPC476118
0.7393	Intermediate Similarity	NPC476121
0.7393	Intermediate Similarity	NPC476124
0.7391	Intermediate Similarity	NPC81939
0.7389	Intermediate Similarity	NPC469470
0.7389	Intermediate Similarity	NPC95783
0.7389	Intermediate Similarity	NPC469501
0.7387	Intermediate Similarity	NPC157931
0.7379	Intermediate Similarity	NPC222018
0.7366	Intermediate Similarity	NPC106937
0.7361	Intermediate Similarity	NPC470549
0.7361	Intermediate Similarity	NPC250835
0.7359	Intermediate Similarity	NPC475666
0.7358	Intermediate Similarity	NPC88008
0.7354	Intermediate Similarity	NPC33949
0.7349	Intermediate Similarity	NPC316981
0.7346	Intermediate Similarity	NPC165349
0.7346	Intermediate Similarity	NPC274291
0.7346	Intermediate Similarity	NPC264166
0.7346	Intermediate Similarity	NPC329708
0.7346	Intermediate Similarity	NPC47059
0.7346	Intermediate Similarity	NPC118832
0.7343	Intermediate Similarity	NPC70956
0.7343	Intermediate Similarity	NPC243834
0.7343	Intermediate Similarity	NPC474188

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC476116 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	262
0.1-0.2	573
0.2-0.3	1053
0.3-0.4	1238
0.4-0.5	2553
0.5-0.6	2391
0.6-0.7	937
0.7-0.8	149
0.8-0.85	4
0.85-0.9	1
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.8639	High Similarity	NPD5575	Clinical (unspecified phase)
0.8368	Intermediate Similarity	NPD6344	Clinical (unspecified phase)
0.8325	Intermediate Similarity	NPD4118	Clinical (unspecified phase)
0.806	Intermediate Similarity	NPD4511	Phase 1
0.804	Intermediate Similarity	NPD7948	Phase 1
0.7979	Intermediate Similarity	NPD5522	Clinical (unspecified phase)
0.7905	Intermediate Similarity	NPD7112	Discontinued
0.7905	Intermediate Similarity	NPD6803	Clinical (unspecified phase)
0.7871	Intermediate Similarity	NPD8396	Approved
0.7871	Intermediate Similarity	NPD8395	Approved
0.7826	Intermediate Similarity	NPD5658	Approved
0.78	Intermediate Similarity	NPD1304	Clinical (unspecified phase)
0.7783	Intermediate Similarity	NPD3814	Phase 1
0.7761	Intermediate Similarity	NPD3324	Clinical (unspecified phase)
0.776	Intermediate Similarity	NPD5065	Approved
0.7746	Intermediate Similarity	NPD8405	Clinical (unspecified phase)
0.7711	Intermediate Similarity	NPD1038	Approved
0.7696	Intermediate Similarity	NPD1326	Approved
0.7696	Intermediate Similarity	NPD1325	Approved
0.7692	Intermediate Similarity	NPD7452	Approved
0.7692	Intermediate Similarity	NPD7453	Approved
0.7692	Intermediate Similarity	NPD7222	Phase 2
0.7659	Intermediate Similarity	NPD484	Approved
0.7653	Intermediate Similarity	NPD5612	Discontinued
0.7632	Intermediate Similarity	NPD8358	Approved
0.7617	Intermediate Similarity	NPD7823	Clinical (unspecified phase)
0.7604	Intermediate Similarity	NPD7219	Approved
0.7604	Intermediate Similarity	NPD7221	Approved
0.758	Intermediate Similarity	NPD7603	Discontinued
0.7538	Intermediate Similarity	NPD6610	Clinical (unspecified phase)
0.7538	Intermediate Similarity	NPD2762	Phase 2
0.7524	Intermediate Similarity	NPD6838	Clinical (unspecified phase)
0.7513	Intermediate Similarity	NPD8464	Clinical (unspecified phase)
0.75	Intermediate Similarity	NPD6159	Phase 2
0.75	Intermediate Similarity	NPD8109	Clinical (unspecified phase)
0.7488	Intermediate Similarity	NPD2916	Discontinued
0.7463	Intermediate Similarity	NPD6141	Clinical (unspecified phase)
0.7455	Intermediate Similarity	NPD5040	Clinical (unspecified phase)
0.744	Intermediate Similarity	NPD2176	Approved
0.744	Intermediate Similarity	NPD2175	Phase 3
0.744	Intermediate Similarity	NPD2177	Approved
0.7433	Intermediate Similarity	NPD6158	Phase 2
0.7433	Intermediate Similarity	NPD6476	Clinical (unspecified phase)
0.7429	Intermediate Similarity	NPD4795	Phase 2
0.7411	Intermediate Similarity	NPD4885	Approved
0.7397	Intermediate Similarity	NPD7726	Phase 1
0.7396	Intermediate Similarity	NPD5140	Approved
0.7396	Intermediate Similarity	NPD5138	Approved
0.7393	Intermediate Similarity	NPD5530	Phase 1
0.7391	Intermediate Similarity	NPD7889	Clinical (unspecified phase)
0.7383	Intermediate Similarity	NPD5939	Approved
0.7383	Intermediate Similarity	NPD5936	Approved
0.7379	Intermediate Similarity	NPD6449	Clinical (unspecified phase)
0.7376	Intermediate Similarity	NPD2383	Phase 1
0.7368	Intermediate Similarity	NPD8016	Phase 3
0.7368	Intermediate Similarity	NPD8017	Clinical (unspecified phase)
0.7366	Intermediate Similarity	NPD802	Phase 2
0.7352	Intermediate Similarity	NPD6242	Discontinued
0.7346	Intermediate Similarity	NPD4039	Approved
0.7346	Intermediate Similarity	NPD4036	Approved
0.7346	Intermediate Similarity	NPD31	Approved
0.7346	Intermediate Similarity	NPD4037	Approved
0.7346	Intermediate Similarity	NPD4122	Approved
0.7346	Intermediate Similarity	NPD4038	Approved
0.7346	Intermediate Similarity	NPD4033	Approved
0.7346	Intermediate Similarity	NPD32	Approved
0.7346	Intermediate Similarity	NPD4035	Approved
0.7346	Intermediate Similarity	NPD4034	Approved
0.734	Intermediate Similarity	NPD2882	Phase 1
0.7337	Intermediate Similarity	NPD6595	Phase 3
0.7311	Intermediate Similarity	NPD3003	Approved
0.7306	Intermediate Similarity	NPD7194	Discontinued
0.73	Intermediate Similarity	NPD7867	Phase 1
0.7281	Intermediate Similarity	NPD4897	Phase 2
0.7277	Intermediate Similarity	NPD5559	Phase 2
0.7273	Intermediate Similarity	NPD2381	Approved
0.7273	Intermediate Similarity	NPD2380	Approved
0.7273	Intermediate Similarity	NPD2382	Approved
0.7269	Intermediate Similarity	NPD3330	Phase 1
0.7268	Intermediate Similarity	NPD5912	Clinical (unspecified phase)
0.7268	Intermediate Similarity	NPD5913	Phase 3
0.7268	Intermediate Similarity	NPD5744	Clinical (unspecified phase)
0.7243	Intermediate Similarity	NPD6376	Discontinued
0.7243	Intermediate Similarity	NPD2187	Approved
0.7243	Intermediate Similarity	NPD2189	Approved
0.7238	Intermediate Similarity	NPD1740	Approved
0.7238	Intermediate Similarity	NPD4601	Approved
0.7238	Intermediate Similarity	NPD1739	Approved
0.7238	Intermediate Similarity	NPD4600	Approved
0.7222	Intermediate Similarity	NPD4502	Phase 2
0.7222	Intermediate Similarity	NPD6492	Phase 2
0.722	Intermediate Similarity	NPD6976	Clinical (unspecified phase)
0.7217	Intermediate Similarity	NPD4886	Phase 2
0.7214	Intermediate Similarity	NPD4204	Approved
0.7214	Intermediate Similarity	NPD4203	Approved
0.7207	Intermediate Similarity	NPD6824	Clinical (unspecified phase)
0.7202	Intermediate Similarity	NPD5599	Discontinued
0.7196	Intermediate Similarity	NPD6290	Phase 2
0.719	Intermediate Similarity	NPD3825	Phase 3
0.7189	Intermediate Similarity	NPD2794	Discontinued
0.7181	Intermediate Similarity	NPD7796	Approved
0.7181	Intermediate Similarity	NPD7797	Approved
0.7171	Intermediate Similarity	NPD6965	Clinical (unspecified phase)
0.717	Intermediate Similarity	NPD5669	Clinical (unspecified phase)
0.717	Intermediate Similarity	NPD3931	Approved
0.717	Intermediate Similarity	NPD3928	Approved
0.7168	Intermediate Similarity	NPD7589	Clinical (unspecified phase)
0.7165	Intermediate Similarity	NPD1685	Approved
0.7165	Intermediate Similarity	NPD1684	Approved
0.7163	Intermediate Similarity	NPD4418	Discontinued
0.7161	Intermediate Similarity	NPD6503	Clinical (unspecified phase)
0.7157	Intermediate Similarity	NPD4184	Clinical (unspecified phase)
0.7156	Intermediate Similarity	NPD6978	Phase 2
0.7156	Intermediate Similarity	NPD6977	Clinical (unspecified phase)
0.715	Intermediate Similarity	NPD6203	Clinical (unspecified phase)
0.715	Intermediate Similarity	NPD3404	Approved
0.7149	Intermediate Similarity	NPD7558	Phase 2
0.7143	Intermediate Similarity	NPD4403	Phase 3
0.7143	Intermediate Similarity	NPD7470	Discontinued
0.7143	Intermediate Similarity	NPD4401	Phase 2
0.7136	Intermediate Similarity	NPD4499	Approved
0.7122	Intermediate Similarity	NPD8431	Approved
0.7105	Intermediate Similarity	NPD4463	Approved
0.7105	Intermediate Similarity	NPD4462	Approved
0.7103	Intermediate Similarity	NPD5901	Discontinued
0.7103	Intermediate Similarity	NPD5426	Phase 3
0.7094	Intermediate Similarity	NPD5596	Phase 2
0.7087	Intermediate Similarity	NPD8110	Clinical (unspecified phase)
0.7085	Intermediate Similarity	NPD5506	Approved
0.7085	Intermediate Similarity	NPD5507	Approved
0.7083	Intermediate Similarity	NPD7666	Phase 3
0.7083	Intermediate Similarity	NPD7665	Phase 2
0.7083	Intermediate Similarity	NPD7947	Clinical (unspecified phase)
0.7081	Intermediate Similarity	NPD3810	Clinical (unspecified phase)
0.708	Intermediate Similarity	NPD4845	Discontinued
0.7078	Intermediate Similarity	NPD1322	Clinical (unspecified phase)
0.707	Intermediate Similarity	NPD3932	Clinical (unspecified phase)
0.707	Intermediate Similarity	NPD8403	Phase 1
0.7047	Intermediate Similarity	NPD2789	Approved
0.7045	Intermediate Similarity	NPD5902	Approved
0.7045	Intermediate Similarity	NPD5903	Approved
0.704	Intermediate Similarity	NPD5930	Phase 3
0.7037	Intermediate Similarity	NPD8493	Clinical (unspecified phase)
0.7037	Intermediate Similarity	NPD3930	Clinical (unspecified phase)
0.7032	Intermediate Similarity	NPD7594	Clinical (unspecified phase)
0.7032	Intermediate Similarity	NPD8093	Discontinued
0.703	Intermediate Similarity	NPD8386	Phase 2
0.7028	Intermediate Similarity	NPD7621	Clinical (unspecified phase)
0.7028	Intermediate Similarity	NPD1768	Approved
0.7024	Intermediate Similarity	NPD6227	Discontinued
0.7015	Intermediate Similarity	NPD6375	Clinical (unspecified phase)
0.7005	Intermediate Similarity	NPD1592	Phase 3
0.7	Intermediate Similarity	NPD8094	Discontinued
0.7	Intermediate Similarity	NPD6861	Clinical (unspecified phase)
0.6996	Remote Similarity	NPD3402	Phase 1
0.6995	Remote Similarity	NPD4501	Approved
0.6995	Remote Similarity	NPD5497	Clinical (unspecified phase)
0.6995	Remote Similarity	NPD4500	Approved
0.6995	Remote Similarity	NPD6277	Clinical (unspecified phase)
0.6991	Remote Similarity	NPD7271	Approved
0.6991	Remote Similarity	NPD7586	Clinical (unspecified phase)
0.6977	Remote Similarity	NPD4044	Discontinued
0.6974	Remote Similarity	NPD5255	Approved
0.697	Remote Similarity	NPD425	Approved
0.697	Remote Similarity	NPD424	Approved
0.6968	Remote Similarity	NPD4637	Clinical (unspecified phase)
0.6964	Remote Similarity	NPD8364	Approved
0.6964	Remote Similarity	NPD8363	Approved
0.6963	Remote Similarity	NPD6592	Clinical (unspecified phase)
0.695	Remote Similarity	NPD5934	Clinical (unspecified phase)
0.6948	Remote Similarity	NPD6999	Discontinued
0.6948	Remote Similarity	NPD7000	Clinical (unspecified phase)
0.6946	Remote Similarity	NPD4076	Approved
0.6946	Remote Similarity	NPD4079	Approved
0.6934	Remote Similarity	NPD6769	Clinical (unspecified phase)
0.6934	Remote Similarity	NPD5003	Discontinued
0.693	Remote Similarity	NPD6165	Phase 2
0.693	Remote Similarity	NPD7731	Approved
0.693	Remote Similarity	NPD7730	Approved
0.693	Remote Similarity	NPD6975	Discontinued
0.693	Remote Similarity	NPD6164	Phase 2
0.6927	Remote Similarity	NPD5728	Clinical (unspecified phase)
0.6926	Remote Similarity	NPD7952	Approved
0.6926	Remote Similarity	NPD7953	Approved
0.6926	Remote Similarity	NPD7791	Approved
0.6926	Remote Similarity	NPD7950	Approved
0.6926	Remote Similarity	NPD7789	Approved
0.6926	Remote Similarity	NPD7951	Approved
0.6926	Remote Similarity	NPD7790	Approved
0.6923	Remote Similarity	NPD7025	Clinical (unspecified phase)
0.6919	Remote Similarity	NPD926	Approved
0.6919	Remote Similarity	NPD925	Approved
0.6915	Remote Similarity	NPD4112	Clinical (unspecified phase)
0.6912	Remote Similarity	NPD7958	Clinical (unspecified phase)
0.6912	Remote Similarity	NPD6452	Discontinued
0.6912	Remote Similarity	NPD7957	Phase 1
0.6909	Remote Similarity	NPD8013	Clinical (unspecified phase)
0.6908	Remote Similarity	NPD8365	Clinical (unspecified phase)
0.6906	Remote Similarity	NPD5164	Discontinued
0.6906	Remote Similarity	NPD3440	Clinical (unspecified phase)

Structure

NPC476116 OpenBabel07101719252D 34 41 0 0 1 0 0 0 0 0999 V2000 0.2304 1.4488 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 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 1.8171 0.1910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3007 3.1354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9929 2.4440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4067 -2.5316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4202 3.1217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4013 -2.6361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7648 2.7433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9607 -0.2581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4202 0.8513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1032 3.6685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1094 1.6081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3784 0.6554 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.7648 0.4729 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.8559 3.7477 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 -3.0757 2.7433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.6180 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.7954 2.9772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1094 0.8513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2403 2.3649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5823 -0.9135 0.0000 C 0 0 3 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 -2.4202 1.6081 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.0757 1.9865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5878 -0.8090 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.9890 -1.8271 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7954 1.7526 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7648 1.9865 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 -5.2626 4.6612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 4 19 2 0 0 0 0 5 26 2 0 0 0 0 6 7 2 0 0 0 0 6 18 1 0 0 0 0 7 24 1 0 0 0 0 8 10 1 0 0 0 0 8 21 1 0 0 0 0 9 11 1 0 0 0 0 9 20 1 0 0 0 0 10 30 1 0 0 0 0 11 32 1 0 0 0 0 12 17 1 0 0 0 0 12 25 1 0 0 0 0 13 17 1 0 0 0 0 13 27 1 0 0 0 0 14 18 2 0 0 0 0 14 22 1 0 0 0 0 15 23 2 0 0 0 0 15 32 1 0 0 0 0 16 23 1 0 0 0 0 16 33 1 0 0 0 0 17 23 1 0 0 0 0 18 34 1 0 0 0 0 19 21 1 0 0 0 0 19 26 1 0 0 0 0 20 22 1 0 0 0 0 20 28 2 0 0 0 0 21 29 1 0 0 0 0 22 24 2 0 0 0 0 24 31 1 0 0 0 0 25 29 1 0 0 0 0 25 30 1 0 0 0 0 26 33 1 0 0 0 0 27 28 1 0 0 0 0 27 32 1 0 0 0 0 28 31 1 0 0 0 0 29 33 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	44559873
ChEMBL	CHEMBL529211
ZINC

Physicochemical Properties

Molecular Weight:	452.26
ALogP:	-1.784
MLogP:	4.1
XLogP:	4.553
# Rotatable Bonds:	2
Polar Surface Area:	54.53
# H-Bond Aceptor:	4
# H-Bond Donor:	3
# Rings:	8
# Heavy Atoms:	34

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