NPASS Natural Product

Natural Product: NPC314954

Natural Product ID:	NPC314954
Common Name:	Picrasidine G
IUPAC Name:	7-methoxy-4-(4-methoxy-9H-pyrido[3,4-b]indol-1-yl)-2,3,4,12-tetrahydro-1H-indolo[2,3-a]quinolizin-5-ium
Synonyms:
Molecular Formula:	C28H24N4O2
Standard InCHIKey:	PLMZBLUKRYWASH-UHFFFAOYSA-O
Standard InCHI:	InChI=1S/C28H24N4O2/c1-33-22-14-29-27(28-24(22)16-8-3-6-11-19(16)31-28)21-13-7-12-20-26-25(23(34-2)15-32(20)21)17-9-4-5-10-18(17)30-26/h3-6,8-11,14-15,21H,7,12-13H2,1-2H3,(H,29,31)/p+1
Canonical SMILES:	COc1cnc(c2c1c1ccccc1[nH]2)C1CCCc2[n+]1cc(OC)c1c2[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
NPO8372	Picrasma quassioides	Species	Simaroubaceae	Eukaryota				TCMID*

Biological Activity

Activity Type	# Activity
Others	1

Activity Type	# Activity
Individual Protein	1

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT178	Individual Protein	Protein-tyrosine phosphatase 1B	Homo sapiens	Inhibition	=	50	%	25819098

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 NPC314954 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	576
0.1-0.2	4289
0.2-0.3	8533
0.3-0.4	11696
0.4-0.5	2598
0.5-0.6	1774
0.6-0.7	1065
0.7-0.8	318
0.8-0.85	31
0.85-0.9	7
0.9-0.95	2
0.95-1	0

Similarity Score	Similarity Level	Natural Product ID
0.9198	High Similarity	NPC469554
0.9108	High Similarity	NPC101543
0.8762	High Similarity	NPC19872
0.8744	High Similarity	NPC167860
0.8744	High Similarity	NPC123976
0.8604	High Similarity	NPC477861
0.8592	High Similarity	NPC213530
0.8592	High Similarity	NPC193267
0.8546	High Similarity	NPC26543
0.8498	Intermediate Similarity	NPC476041
0.8498	Intermediate Similarity	NPC304926
0.8483	Intermediate Similarity	NPC26679
0.8454	Intermediate Similarity	NPC245816
0.8454	Intermediate Similarity	NPC476138
0.8429	Intermediate Similarity	NPC185782
0.8378	Intermediate Similarity	NPC141053
0.8362	Intermediate Similarity	NPC53534
0.8357	Intermediate Similarity	NPC232727
0.8341	Intermediate Similarity	NPC267928
0.8325	Intermediate Similarity	NPC285558
0.831	Intermediate Similarity	NPC94157
0.8309	Intermediate Similarity	NPC176538
0.8304	Intermediate Similarity	NPC295228
0.8228	Intermediate Similarity	NPC152620
0.8214	Intermediate Similarity	NPC180504
0.8208	Intermediate Similarity	NPC287208
0.8194	Intermediate Similarity	NPC470799
0.8194	Intermediate Similarity	NPC8022
0.819	Intermediate Similarity	NPC475774
0.8111	Intermediate Similarity	NPC170114
0.8107	Intermediate Similarity	NPC84853
0.8102	Intermediate Similarity	NPC471080
0.8102	Intermediate Similarity	NPC469592
0.8102	Intermediate Similarity	NPC476287
0.8091	Intermediate Similarity	NPC310118
0.8086	Intermediate Similarity	NPC187558
0.8066	Intermediate Similarity	NPC475070
0.8065	Intermediate Similarity	NPC470549
0.8047	Intermediate Similarity	NPC5145
0.8045	Intermediate Similarity	NPC132642
0.7991	Intermediate Similarity	NPC473185
0.7991	Intermediate Similarity	NPC101350
0.7983	Intermediate Similarity	NPC471891
0.7965	Intermediate Similarity	NPC475253
0.7965	Intermediate Similarity	NPC476451
0.7955	Intermediate Similarity	NPC469594
0.7948	Intermediate Similarity	NPC235685
0.7926	Intermediate Similarity	NPC208284
0.7917	Intermediate Similarity	NPC174672
0.7911	Intermediate Similarity	NPC6215
0.7911	Intermediate Similarity	NPC110151
0.7892	Intermediate Similarity	NPC284678
0.7877	Intermediate Similarity	NPC121772
0.785	Intermediate Similarity	NPC223427
0.7848	Intermediate Similarity	NPC60621
0.7838	Intermediate Similarity	NPC292958
0.7837	Intermediate Similarity	NPC92111
0.7834	Intermediate Similarity	NPC469589
0.7834	Intermediate Similarity	NPC174758
0.783	Intermediate Similarity	NPC18487
0.7814	Intermediate Similarity	NPC470500
0.7807	Intermediate Similarity	NPC260434
0.7793	Intermediate Similarity	NPC329793
0.7793	Intermediate Similarity	NPC329747
0.7788	Intermediate Similarity	NPC82548
0.7788	Intermediate Similarity	NPC76748
0.7773	Intermediate Similarity	NPC13880
0.7762	Intermediate Similarity	NPC307963
0.7748	Intermediate Similarity	NPC305984
0.7746	Intermediate Similarity	NPC476167
0.774	Intermediate Similarity	NPC296527
0.7733	Intermediate Similarity	NPC280272
0.7722	Intermediate Similarity	NPC91868
0.7722	Intermediate Similarity	NPC63971
0.7717	Intermediate Similarity	NPC199667
0.7716	Intermediate Similarity	NPC473183
0.7714	Intermediate Similarity	NPC324149
0.771	Intermediate Similarity	NPC315957
0.7706	Intermediate Similarity	NPC475910
0.7703	Intermediate Similarity	NPC472027
0.77	Intermediate Similarity	NPC192315
0.7699	Intermediate Similarity	NPC122436
0.7692	Intermediate Similarity	NPC81175
0.7692	Intermediate Similarity	NPC473757
0.7685	Intermediate Similarity	NPC280852
0.7679	Intermediate Similarity	NPC473179
0.7671	Intermediate Similarity	NPC473181
0.7669	Intermediate Similarity	NPC81939
0.766	Intermediate Similarity	NPC478082
0.766	Intermediate Similarity	NPC473312
0.766	Intermediate Similarity	NPC477067
0.7647	Intermediate Similarity	NPC473180
0.7644	Intermediate Similarity	NPC477533
0.7642	Intermediate Similarity	NPC253580
0.7637	Intermediate Similarity	NPC475666
0.7629	Intermediate Similarity	NPC473184
0.7629	Intermediate Similarity	NPC39370
0.7628	Intermediate Similarity	NPC249040
0.7623	Intermediate Similarity	NPC274982
0.7623	Intermediate Similarity	NPC183407
0.7623	Intermediate Similarity	NPC152768
0.7623	Intermediate Similarity	NPC148183
0.7619	Intermediate Similarity	NPC473186
0.7615	Intermediate Similarity	NPC472111
0.7607	Intermediate Similarity	NPC41679
0.7606	Intermediate Similarity	NPC251090
0.7598	Intermediate Similarity	NPC470126
0.7596	Intermediate Similarity	NPC15102
0.7594	Intermediate Similarity	NPC198673
0.7591	Intermediate Similarity	NPC476116
0.758	Intermediate Similarity	NPC473362
0.758	Intermediate Similarity	NPC166492
0.7572	Intermediate Similarity	NPC258048
0.7569	Intermediate Similarity	NPC476581
0.7569	Intermediate Similarity	NPC118832
0.7569	Intermediate Similarity	NPC329708
0.7569	Intermediate Similarity	NPC165349
0.7569	Intermediate Similarity	NPC274291
0.7569	Intermediate Similarity	NPC264166
0.7569	Intermediate Similarity	NPC47059
0.7569	Intermediate Similarity	NPC36229
0.7569	Intermediate Similarity	NPC16452
0.7555	Intermediate Similarity	NPC227908
0.7542	Intermediate Similarity	NPC148889
0.7542	Intermediate Similarity	NPC477066
0.7536	Intermediate Similarity	NPC161887
0.7535	Intermediate Similarity	NPC168911
0.7531	Intermediate Similarity	NPC17437
0.7522	Intermediate Similarity	NPC476492
0.7521	Intermediate Similarity	NPC472434
0.7512	Intermediate Similarity	NPC20249
0.7511	Intermediate Similarity	NPC478081
0.75	Intermediate Similarity	NPC476578
0.75	Intermediate Similarity	NPC4071
0.75	Intermediate Similarity	NPC476582
0.7489	Intermediate Similarity	NPC96405
0.7489	Intermediate Similarity	NPC184680
0.7489	Intermediate Similarity	NPC296482
0.7489	Intermediate Similarity	NPC171409
0.7489	Intermediate Similarity	NPC472099
0.7489	Intermediate Similarity	NPC202768
0.7489	Intermediate Similarity	NPC53069
0.7488	Intermediate Similarity	NPC242928
0.7478	Intermediate Similarity	NPC303658
0.7477	Intermediate Similarity	NPC471304
0.7477	Intermediate Similarity	NPC11464
0.7467	Intermediate Similarity	NPC251936
0.7464	Intermediate Similarity	NPC84478
0.7458	Intermediate Similarity	NPC470785
0.7455	Intermediate Similarity	NPC478074
0.7455	Intermediate Similarity	NPC266931
0.7454	Intermediate Similarity	NPC239954
0.7446	Intermediate Similarity	NPC475258
0.7431	Intermediate Similarity	NPC31930
0.7424	Intermediate Similarity	NPC162748
0.7422	Intermediate Similarity	NPC250835
0.7421	Intermediate Similarity	NPC135549
0.7421	Intermediate Similarity	NPC313189
0.7419	Intermediate Similarity	NPC287437
0.7416	Intermediate Similarity	NPC48938
0.7416	Intermediate Similarity	NPC176127
0.7411	Intermediate Similarity	NPC472098
0.7404	Intermediate Similarity	NPC182222
0.7403	Intermediate Similarity	NPC475338
0.7403	Intermediate Similarity	NPC909
0.7402	Intermediate Similarity	NPC476518
0.7399	Intermediate Similarity	NPC290689
0.7393	Intermediate Similarity	NPC196718
0.7387	Intermediate Similarity	NPC476465
0.7384	Intermediate Similarity	NPC30540
0.7384	Intermediate Similarity	NPC470784
0.7382	Intermediate Similarity	NPC326363
0.738	Intermediate Similarity	NPC471506
0.7378	Intermediate Similarity	NPC221100
0.7378	Intermediate Similarity	NPC234078
0.7373	Intermediate Similarity	NPC265576
0.7368	Intermediate Similarity	NPC474798
0.7368	Intermediate Similarity	NPC219963
0.7368	Intermediate Similarity	NPC266551
0.7366	Intermediate Similarity	NPC121658
0.7366	Intermediate Similarity	NPC14651
0.7359	Intermediate Similarity	NPC21638
0.7349	Intermediate Similarity	NPC106937
0.7343	Intermediate Similarity	NPC224764
0.7342	Intermediate Similarity	NPC15801
0.7339	Intermediate Similarity	NPC128823
0.7336	Intermediate Similarity	NPC86078
0.7333	Intermediate Similarity	NPC316981
0.7333	Intermediate Similarity	NPC112206
0.7333	Intermediate Similarity	NPC202605
0.7333	Intermediate Similarity	NPC264176
0.7331	Intermediate Similarity	NPC325976
0.7325	Intermediate Similarity	NPC96321
0.7325	Intermediate Similarity	NPC473310
0.7325	Intermediate Similarity	NPC473041
0.7319	Intermediate Similarity	NPC102593
0.7313	Intermediate Similarity	NPC288349
0.7309	Intermediate Similarity	NPC477111
0.7304	Intermediate Similarity	NPC477532
0.7302	Intermediate Similarity	NPC99666

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC314954 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	303
0.1-0.2	694
0.2-0.3	1018
0.3-0.4	1534
0.4-0.5	2545
0.5-0.6	1824
0.6-0.7	1039
0.7-0.8	202
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
0.8326	Intermediate Similarity	NPD7823	Clinical (unspecified phase)
0.8246	Intermediate Similarity	NPD4440	Clinical (unspecified phase)
0.79	Intermediate Similarity	NPD6140	Clinical (unspecified phase)
0.7841	Intermediate Similarity	NPD6968	Phase 2
0.7841	Intermediate Similarity	NPD6969	Phase 2
0.7838	Intermediate Similarity	NPD3402	Phase 1
0.7821	Intermediate Similarity	NPD5483	Clinical (unspecified phase)
0.7817	Intermediate Similarity	NPD7558	Phase 2
0.7814	Intermediate Similarity	NPD4795	Phase 2
0.7802	Intermediate Similarity	NPD2921	Clinical (unspecified phase)
0.7788	Intermediate Similarity	NPD5658	Approved
0.7778	Intermediate Similarity	NPD7068	Approved
0.7778	Intermediate Similarity	NPD7067	Approved
0.7773	Intermediate Similarity	NPD3478	Clinical (unspecified phase)
0.7773	Intermediate Similarity	NPD3477	Phase 2
0.7764	Intermediate Similarity	NPD5482	Discontinued
0.7762	Intermediate Similarity	NPD1038	Approved
0.7762	Intermediate Similarity	NPD1304	Clinical (unspecified phase)
0.7758	Intermediate Similarity	NPD7194	Discontinued
0.7746	Intermediate Similarity	NPD4118	Clinical (unspecified phase)
0.7725	Intermediate Similarity	NPD6861	Clinical (unspecified phase)
0.7719	Intermediate Similarity	NPD5559	Phase 2
0.771	Intermediate Similarity	NPD1739	Approved
0.771	Intermediate Similarity	NPD1740	Approved
0.7676	Intermediate Similarity	NPD6961	Discontinued
0.7661	Intermediate Similarity	NPD1392	Approved
0.7626	Intermediate Similarity	NPD5863	Clinical (unspecified phase)
0.7623	Intermediate Similarity	NPD5612	Discontinued
0.7615	Intermediate Similarity	NPD3003	Approved
0.7608	Intermediate Similarity	NPD1034	Phase 3
0.7608	Intermediate Similarity	NPD1033	Clinical (unspecified phase)
0.7602	Intermediate Similarity	NPD3343	Phase 3
0.7576	Intermediate Similarity	NPD6131	Phase 1
0.7569	Intermediate Similarity	NPD4036	Approved
0.7569	Intermediate Similarity	NPD4037	Approved
0.7569	Intermediate Similarity	NPD4039	Approved
0.7569	Intermediate Similarity	NPD4034	Approved
0.7569	Intermediate Similarity	NPD4033	Approved
0.7569	Intermediate Similarity	NPD31	Approved
0.7569	Intermediate Similarity	NPD32	Approved
0.7569	Intermediate Similarity	NPD4122	Approved
0.7569	Intermediate Similarity	NPD4035	Approved
0.7569	Intermediate Similarity	NPD4038	Approved
0.7564	Intermediate Similarity	NPD4958	Clinical (unspecified phase)
0.7556	Intermediate Similarity	NPD5948	Phase 2
0.7547	Intermediate Similarity	NPD6569	Phase 2
0.7534	Intermediate Similarity	NPD8403	Phase 1
0.7533	Intermediate Similarity	NPD4881	Clinical (unspecified phase)
0.7531	Intermediate Similarity	NPD8358	Approved
0.7523	Intermediate Similarity	NPD5067	Phase 2
0.7523	Intermediate Similarity	NPD5066	Phase 2
0.75	Intermediate Similarity	NPD3825	Phase 3
0.75	Intermediate Similarity	NPD5902	Approved
0.75	Intermediate Similarity	NPD5903	Approved
0.75	Intermediate Similarity	NPD4548	Discontinued
0.75	Intermediate Similarity	NPD7222	Phase 2
0.75	Intermediate Similarity	NPD5644	Phase 1
0.749	Intermediate Similarity	NPD5018	Phase 3
0.7489	Intermediate Similarity	NPD3330	Phase 1
0.7489	Intermediate Similarity	NPD3816	Phase 1
0.7489	Intermediate Similarity	NPD3815	Phase 1
0.7488	Intermediate Similarity	NPD7948	Phase 1
0.7479	Intermediate Similarity	NPD6572	Phase 2
0.7479	Intermediate Similarity	NPD5802	Phase 2
0.7479	Intermediate Similarity	NPD6573	Phase 3
0.7478	Intermediate Similarity	NPD7675	Phase 3
0.7478	Intermediate Similarity	NPD7603	Discontinued
0.7478	Intermediate Similarity	NPD7676	Clinical (unspecified phase)
0.7478	Intermediate Similarity	NPD7674	Phase 3
0.7467	Intermediate Similarity	NPD6306	Phase 2
0.7465	Intermediate Similarity	NPD4372	Phase 1
0.7458	Intermediate Similarity	NPD7729	Clinical (unspecified phase)
0.7455	Intermediate Similarity	NPD5530	Phase 1
0.7444	Intermediate Similarity	NPD3939	Suspended
0.7424	Intermediate Similarity	NPD7221	Approved
0.7424	Intermediate Similarity	NPD7219	Approved
0.7418	Intermediate Similarity	NPD8442	Discontinued
0.7412	Intermediate Similarity	NPD6242	Discontinued
0.7403	Intermediate Similarity	NPD7426	Phase 1
0.7401	Intermediate Similarity	NPD6985	Discontinued
0.7395	Intermediate Similarity	NPD3324	Clinical (unspecified phase)
0.7393	Intermediate Similarity	NPD5256	Discontinued
0.7393	Intermediate Similarity	NPD4885	Approved
0.739	Intermediate Similarity	NPD5450	Discontinued
0.739	Intermediate Similarity	NPD8284	Discontinued
0.7387	Intermediate Similarity	NPD2187	Approved
0.7387	Intermediate Similarity	NPD2189	Approved
0.7382	Intermediate Similarity	NPD8512	Phase 3
0.7373	Intermediate Similarity	NPD3006	Discontinued
0.7349	Intermediate Similarity	NPD5575	Clinical (unspecified phase)
0.7349	Intermediate Similarity	NPD802	Phase 2
0.7346	Intermediate Similarity	NPD6610	Clinical (unspecified phase)
0.7339	Intermediate Similarity	NPD1768	Approved
0.7325	Intermediate Similarity	NPD4429	Discontinued
0.7317	Intermediate Similarity	NPD5911	Clinical (unspecified phase)
0.7306	Intermediate Similarity	NPD2311	Clinical (unspecified phase)
0.7295	Intermediate Similarity	NPD5065	Approved
0.7291	Intermediate Similarity	NPD4442	Phase 2
0.7289	Intermediate Similarity	NPD4131	Phase 3
0.7289	Intermediate Similarity	NPD3570	Phase 2
0.7288	Intermediate Similarity	NPD6741	Clinical (unspecified phase)
0.7285	Intermediate Similarity	NPD4886	Phase 2
0.7284	Intermediate Similarity	NPD4558	Phase 2
0.728	Intermediate Similarity	NPD4858	Phase 2
0.7276	Intermediate Similarity	NPD8246	Approved
0.7276	Intermediate Similarity	NPD8247	Approved
0.7273	Intermediate Similarity	NPD8100	Phase 3
0.7273	Intermediate Similarity	NPD1856	Discontinued
0.7265	Intermediate Similarity	NPD7452	Approved
0.7265	Intermediate Similarity	NPD7659	Discontinued
0.7265	Intermediate Similarity	NPD7453	Approved
0.7264	Intermediate Similarity	NPD7424	Clinical (unspecified phase)
0.7256	Intermediate Similarity	NPD5913	Phase 3
0.7256	Intermediate Similarity	NPD5912	Clinical (unspecified phase)
0.7253	Intermediate Similarity	NPD7051	Phase 3
0.7253	Intermediate Similarity	NPD7050	Clinical (unspecified phase)
0.7249	Intermediate Similarity	NPD8405	Clinical (unspecified phase)
0.7238	Intermediate Similarity	NPD6750	Phase 2
0.7238	Intermediate Similarity	NPD6595	Phase 3
0.7237	Intermediate Similarity	NPD7112	Discontinued
0.723	Intermediate Similarity	NPD4921	Phase 3
0.723	Intermediate Similarity	NPD4920	Clinical (unspecified phase)
0.723	Intermediate Similarity	NPD4919	Phase 3
0.7229	Intermediate Similarity	NPD7726	Phase 1
0.7225	Intermediate Similarity	NPD1032	Phase 2
0.7222	Intermediate Similarity	NPD3921	Approved
0.7222	Intermediate Similarity	NPD3922	Approved
0.7222	Intermediate Similarity	NPD3923	Approved
0.7222	Intermediate Similarity	NPD3924	Approved
0.7217	Intermediate Similarity	NPD3875	Discontinued
0.7217	Intermediate Similarity	NPD3763	Approved
0.72	Intermediate Similarity	NPD2125	Clinical (unspecified phase)
0.7198	Intermediate Similarity	NPD6824	Clinical (unspecified phase)
0.7198	Intermediate Similarity	NPD1078	Clinical (unspecified phase)
0.7197	Intermediate Similarity	NPD4343	Phase 1
0.7197	Intermediate Similarity	NPD4344	Clinical (unspecified phase)
0.7184	Intermediate Similarity	NPD8101	Phase 3
0.7184	Intermediate Similarity	NPD6244	Phase 3
0.7184	Intermediate Similarity	NPD6243	Phase 3
0.7182	Intermediate Similarity	NPD5999	Phase 2
0.7177	Intermediate Similarity	NPD8049	Phase 2
0.7175	Intermediate Similarity	NPD3397	Phase 2
0.7169	Intermediate Similarity	NPD6769	Clinical (unspecified phase)
0.7162	Intermediate Similarity	NPD6643	Discontinued
0.7161	Intermediate Similarity	NPD5479	Discontinued
0.716	Intermediate Similarity	NPD6230	Discontinued
0.7156	Intermediate Similarity	NPD7666	Phase 3
0.7156	Intermediate Similarity	NPD7665	Phase 2
0.715	Intermediate Similarity	NPD565	Phase 2
0.7149	Intermediate Similarity	NPD6473	Phase 1
0.7143	Intermediate Similarity	NPD6494	Phase 2
0.7143	Intermediate Similarity	NPD4306	Phase 1
0.7143	Intermediate Similarity	NPD4023	Clinical (unspecified phase)
0.7137	Intermediate Similarity	NPD4890	Phase 2
0.7137	Intermediate Similarity	NPD6992	Phase 2
0.7137	Intermediate Similarity	NPD4502	Phase 2
0.7137	Intermediate Similarity	NPD7470	Discontinued
0.7137	Intermediate Similarity	NPD6976	Clinical (unspecified phase)
0.7132	Intermediate Similarity	NPD7198	Clinical (unspecified phase)
0.7131	Intermediate Similarity	NPD2062	Phase 2
0.713	Intermediate Similarity	NPD8063	Discontinued
0.7123	Intermediate Similarity	NPD7414	Clinical (unspecified phase)
0.7123	Intermediate Similarity	NPD4203	Approved
0.7123	Intermediate Similarity	NPD4204	Approved
0.7112	Intermediate Similarity	NPD5930	Phase 3
0.711	Intermediate Similarity	NPD8525	Approved
0.7105	Intermediate Similarity	NPD6202	Discontinued
0.71	Intermediate Similarity	NPD5632	Approved
0.71	Intermediate Similarity	NPD6568	Discontinued
0.7092	Intermediate Similarity	NPD6530	Approved
0.7092	Intermediate Similarity	NPD6531	Approved
0.708	Intermediate Similarity	NPD2509	Approved
0.708	Intermediate Similarity	NPD2510	Approved
0.7078	Intermediate Similarity	NPD4418	Discontinued
0.7076	Intermediate Similarity	NPD6977	Clinical (unspecified phase)
0.7076	Intermediate Similarity	NPD6978	Phase 2
0.7074	Intermediate Similarity	NPD1322	Clinical (unspecified phase)
0.7071	Intermediate Similarity	NPD2471	Approved
0.7071	Intermediate Similarity	NPD2472	Approved
0.7069	Intermediate Similarity	NPD4555	Clinical (unspecified phase)
0.7062	Intermediate Similarity	NPD6203	Clinical (unspecified phase)
0.7061	Intermediate Similarity	NPD6567	Clinical (unspecified phase)
0.7056	Intermediate Similarity	NPD7859	Phase 2
0.7051	Intermediate Similarity	NPD6281	Approved
0.7042	Intermediate Similarity	NPD6760	Discontinued
0.7039	Intermediate Similarity	NPD7678	Clinical (unspecified phase)
0.7035	Intermediate Similarity	NPD6838	Clinical (unspecified phase)
0.7034	Intermediate Similarity	NPD8289	Discontinued
0.7025	Intermediate Similarity	NPD3331	Phase 3
0.7023	Intermediate Similarity	NPD6344	Clinical (unspecified phase)
0.7019	Intermediate Similarity	NPD6872	Clinical (unspecified phase)
0.7017	Intermediate Similarity	NPD1659	Phase 1
0.7017	Intermediate Similarity	NPD5022	Discontinued
0.7013	Intermediate Similarity	NPD3394	Approved
0.7013	Intermediate Similarity	NPD3393	Approved
0.7013	Intermediate Similarity	NPD3389	Approved
0.7012	Intermediate Similarity	NPD4654	Phase 1
0.7012	Intermediate Similarity	NPD4454	Phase 2
0.7008	Intermediate Similarity	NPD5949	Phase 3
0.7004	Intermediate Similarity	NPD5528	Clinical (unspecified phase)

Structure

CID314954 OpenBabel06191716132D 34 40 0 0 1 0 0 0 0 0999 V2000 -3.3686 0.8386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3081 1.5286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5947 2.5529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9509 -0.7462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9507 -1.7078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5920 2.6581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9552 -3.6289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0051 1.6319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1188 -0.2654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1184 -2.1882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0005 1.8422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7876 -3.1486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1231 -3.1481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4961 -1.6823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9559 -0.7452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4126 0.8161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2859 -0.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2857 -1.7075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4099 0.9212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7879 -2.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1233 -2.1871 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.4958 -0.6740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7883 -0.2648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6225 -0.1701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6209 -0.7455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6207 -1.7071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7497 -1.6827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7495 -0.6745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6230 -2.1866 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4534 -2.1879 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 0.9557 -1.7068 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.3689 -0.1697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7885 0.6963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 33 1 0 0 0 0 2 34 1 0 0 0 0 3 6 2 0 0 0 0 3 8 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 10 2 0 0 0 0 6 11 1 0 0 0 0 7 12 1 0 0 0 0 7 13 1 0 0 0 0 8 16 2 0 0 0 0 9 17 1 0 0 0 0 10 18 1 0 0 0 0 11 19 2 0 0 0 0 12 20 1 0 0 0 0 13 21 1 0 0 0 0 14 22 2 0 0 0 0 14 29 1 0 0 0 0 15 23 2 0 0 0 0 15 32 1 0 0 0 0 16 19 1 0 0 0 0 16 24 1 0 0 0 0 17 18 2 0 0 0 0 17 25 1 0 0 0 0 18 30 1 0 0 0 0 19 31 1 0 0 0 0 20 26 1 0 0 0 0 20 32 2 0 0 0 0 21 27 1 0 0 0 0 21 32 1 0 0 0 0 22 24 1 0 0 0 0 22 33 1 0 0 0 0 23 25 1 0 0 0 0 23 34 1 0 0 0 0 24 28 2 0 0 0 0 25 26 2 0 0 0 0 26 30 1 0 0 0 0 27 28 1 0 0 0 0 27 29 2 0 0 0 0 28 31 1 0 0 0 0 M CHG 1 32 1 M END $$$$

External Identifiers

PubChem CID	5318871
ChEMBL	CHEMBL3401861
ZINC

Physicochemical Properties

Molecular Weight:	449.20
ALogP:	-2.7591
MLogP:	3.88
XLogP:	5.02
# Rotatable Bonds:	5
Polar Surface Area:	66.81
# H-Bond Aceptor:	3
# H-Bond Donor:	2
# Rings:	7
# Heavy Atoms:	34

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