NPASS Natural Product

Natural Product: NPC290689

Natural Product ID:	NPC290689
Common Name:	Phaeantharine
IUPAC Name:	1-[[4-[5-[(6,7-dimethoxy-2-methylisoquinolin-2-ium-1-yl)methyl]-2-methoxyphenoxy]phenyl]methyl]-6,7-dimethoxy-2-methylisoquinolin-2-ium
Synonyms:	Phaeantharine
Molecular Formula:	C39H40N2O6
Standard InCHIKey:	IWKHGZDMTOKGQP-UHFFFAOYSA-N
Standard InCHI:	InChI=1S/C39H40N2O6/c1-40-16-14-27-21-35(43-4)37(45-6)23-30(27)32(40)18-25-8-11-29(12-9-25)47-39-20-26(10-13-34(39)42-3)19-33-31-24-38(46-7)36(44-5)22-28(31)15-17-41(33)2/h8-17,20-24H,18-19H2,1-7H3/q+2
Canonical SMILES:	COc1ccc(cc1Oc1ccc(cc1)Cc1[n+](C)ccc2c1cc(OC)c(c2)OC)Cc1[n+](C)ccc2c1cc(OC)c(c2)OC
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
NPO27327	Phaeanthus ebracteolatus	Species	Annonaceae	Eukaryota				TCMID*

Biological Activity

Activity Type	# Activity
MIC	2

Activity Type	# Activity
Organism	2

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT79	Organism	Bacillus subtilis	Bacillus subtilis	MIC	=	74	ug/ml	6875578
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MIC	=	86	ug/ml	6875578

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 NPC290689 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	503
0.1-0.2	2086
0.2-0.3	9860
0.3-0.4	3236
0.4-0.5	10116
0.5-0.6	3421
0.6-0.7	1337
0.7-0.8	286
0.8-0.85	22
0.85-0.9	14
0.9-0.95	8
0.95-1	0

Similarity Score	Similarity Level	Natural Product ID
0.9255	High Similarity	NPC476578
0.9255	High Similarity	NPC476582
0.9255	High Similarity	NPC4071
0.914	High Similarity	NPC133140
0.914	High Similarity	NPC195268
0.9115	High Similarity	NPC16452
0.9115	High Similarity	NPC36229
0.9115	High Similarity	NPC476581
0.8958	High Similarity	NPC31930
0.8932	High Similarity	NPC201508
0.8923	High Similarity	NPC313189
0.8846	High Similarity	NPC255800
0.8846	High Similarity	NPC96584
0.8808	High Similarity	NPC477019
0.8794	High Similarity	NPC296482
0.8794	High Similarity	NPC202768
0.8794	High Similarity	NPC53069
0.8794	High Similarity	NPC202605
0.8794	High Similarity	NPC112206
0.8731	High Similarity	NPC135549
0.8607	High Similarity	NPC171409
0.8607	High Similarity	NPC96405
0.8473	Intermediate Similarity	NPC271215
0.8473	Intermediate Similarity	NPC149471
0.8426	Intermediate Similarity	NPC234197
0.8424	Intermediate Similarity	NPC251160
0.8325	Intermediate Similarity	NPC188420
0.8309	Intermediate Similarity	NPC473822
0.8309	Intermediate Similarity	NPC100079
0.8309	Intermediate Similarity	NPC23614
0.8293	Intermediate Similarity	NPC236668
0.8283	Intermediate Similarity	NPC287437
0.8252	Intermediate Similarity	NPC146976
0.8241	Intermediate Similarity	NPC295228
0.8182	Intermediate Similarity	NPC46451
0.8164	Intermediate Similarity	NPC235076
0.8152	Intermediate Similarity	NPC122463
0.8128	Intermediate Similarity	NPC323345
0.8128	Intermediate Similarity	NPC470164
0.8057	Intermediate Similarity	NPC174049
0.8056	Intermediate Similarity	NPC476999
0.8048	Intermediate Similarity	NPC204446
0.8009	Intermediate Similarity	NPC469792
0.8	Intermediate Similarity	NPC312872
0.7981	Intermediate Similarity	NPC210434
0.7963	Intermediate Similarity	NPC476997
0.7926	Intermediate Similarity	NPC24019
0.7926	Intermediate Similarity	NPC476998
0.7926	Intermediate Similarity	NPC476996
0.7915	Intermediate Similarity	NPC473513
0.7897	Intermediate Similarity	NPC118121
0.7897	Intermediate Similarity	NPC280272
0.788	Intermediate Similarity	NPC476994
0.7857	Intermediate Similarity	NPC162530
0.7857	Intermediate Similarity	NPC266931
0.7816	Intermediate Similarity	NPC285558
0.7799	Intermediate Similarity	NPC470020
0.7793	Intermediate Similarity	NPC173080
0.7788	Intermediate Similarity	NPC214980
0.7767	Intermediate Similarity	NPC469440
0.7762	Intermediate Similarity	NPC208284
0.7754	Intermediate Similarity	NPC247639
0.7754	Intermediate Similarity	NPC25084
0.7738	Intermediate Similarity	NPC22481
0.7714	Intermediate Similarity	NPC123976
0.7714	Intermediate Similarity	NPC167860
0.7713	Intermediate Similarity	NPC476995
0.7703	Intermediate Similarity	NPC90875
0.7692	Intermediate Similarity	NPC233334
0.7682	Intermediate Similarity	NPC278525
0.7681	Intermediate Similarity	NPC475774
0.7668	Intermediate Similarity	NPC108342
0.7644	Intermediate Similarity	NPC264166
0.7644	Intermediate Similarity	NPC274291
0.7644	Intermediate Similarity	NPC47059
0.7644	Intermediate Similarity	NPC329708
0.7644	Intermediate Similarity	NPC165349
0.7644	Intermediate Similarity	NPC118832
0.7639	Intermediate Similarity	NPC477533
0.7638	Intermediate Similarity	NPC204385
0.7634	Intermediate Similarity	NPC182907
0.7634	Intermediate Similarity	NPC189903
0.7624	Intermediate Similarity	NPC280964
0.7624	Intermediate Similarity	NPC141915
0.7624	Intermediate Similarity	NPC114335
0.7619	Intermediate Similarity	NPC82548
0.7614	Intermediate Similarity	NPC206201
0.7611	Intermediate Similarity	NPC119134
0.76	Intermediate Similarity	NPC166722
0.76	Intermediate Similarity	NPC249996
0.7593	Intermediate Similarity	NPC193267
0.7593	Intermediate Similarity	NPC213530
0.7588	Intermediate Similarity	NPC476202
0.7586	Intermediate Similarity	NPC329541
0.7579	Intermediate Similarity	NPC216816
0.7561	Intermediate Similarity	NPC224928
0.7552	Intermediate Similarity	NPC475393
0.7545	Intermediate Similarity	NPC253675
0.7538	Intermediate Similarity	NPC195538
0.7536	Intermediate Similarity	NPC176538
0.7536	Intermediate Similarity	NPC11017
0.7524	Intermediate Similarity	NPC472111
0.7512	Intermediate Similarity	NPC473053
0.75	Intermediate Similarity	NPC174758
0.7489	Intermediate Similarity	NPC270515
0.7489	Intermediate Similarity	NPC475253
0.7488	Intermediate Similarity	NPC92111
0.7477	Intermediate Similarity	NPC316981
0.7474	Intermediate Similarity	NPC250846
0.7474	Intermediate Similarity	NPC240841
0.7474	Intermediate Similarity	NPC317272
0.7474	Intermediate Similarity	NPC42549
0.7474	Intermediate Similarity	NPC268503
0.7474	Intermediate Similarity	NPC256012
0.7467	Intermediate Similarity	NPC15406
0.7456	Intermediate Similarity	NPC210296
0.7456	Intermediate Similarity	NPC217554
0.7455	Intermediate Similarity	NPC322482
0.7453	Intermediate Similarity	NPC470931
0.7438	Intermediate Similarity	NPC76748
0.7437	Intermediate Similarity	NPC470474
0.7435	Intermediate Similarity	NPC284141
0.7435	Intermediate Similarity	NPC124313
0.7424	Intermediate Similarity	NPC207283
0.7424	Intermediate Similarity	NPC84164
0.7418	Intermediate Similarity	NPC469589
0.7416	Intermediate Similarity	NPC232727
0.7415	Intermediate Similarity	NPC307963
0.7399	Intermediate Similarity	NPC314954
0.7395	Intermediate Similarity	NPC94157
0.7389	Intermediate Similarity	NPC296527
0.7387	Intermediate Similarity	NPC470018
0.7368	Intermediate Similarity	NPC11408
0.7363	Intermediate Similarity	NPC284559
0.7356	Intermediate Similarity	NPC127085
0.7354	Intermediate Similarity	NPC476568
0.7354	Intermediate Similarity	NPC74575
0.7336	Intermediate Similarity	NPC174672
0.7333	Intermediate Similarity	NPC132385
0.7325	Intermediate Similarity	NPC473183
0.7323	Intermediate Similarity	NPC227060
0.7323	Intermediate Similarity	NPC63646
0.7323	Intermediate Similarity	NPC76682
0.7323	Intermediate Similarity	NPC115284
0.7323	Intermediate Similarity	NPC276890
0.7323	Intermediate Similarity	NPC317145
0.7323	Intermediate Similarity	NPC317439
0.7323	Intermediate Similarity	NPC198498
0.7323	Intermediate Similarity	NPC10908
0.7317	Intermediate Similarity	NPC469390
0.7311	Intermediate Similarity	NPC164374
0.7311	Intermediate Similarity	NPC137929
0.731	Intermediate Similarity	NPC66573
0.7306	Intermediate Similarity	NPC177404
0.7304	Intermediate Similarity	NPC99891
0.7301	Intermediate Similarity	NPC49547
0.7301	Intermediate Similarity	NPC469554
0.7295	Intermediate Similarity	NPC85381
0.7294	Intermediate Similarity	NPC170114
0.7294	Intermediate Similarity	NPC274982
0.7286	Intermediate Similarity	NPC41376
0.7286	Intermediate Similarity	NPC12424
0.7286	Intermediate Similarity	NPC251580
0.7286	Intermediate Similarity	NPC315957
0.7286	Intermediate Similarity	NPC285941
0.7286	Intermediate Similarity	NPC129518
0.7286	Intermediate Similarity	NPC329793
0.7284	Intermediate Similarity	NPC208522
0.7282	Intermediate Similarity	NPC318805
0.7282	Intermediate Similarity	NPC41122
0.7277	Intermediate Similarity	NPC183537
0.7273	Intermediate Similarity	NPC17565
0.7264	Intermediate Similarity	NPC223427
0.7264	Intermediate Similarity	NPC245816
0.7264	Intermediate Similarity	NPC476138
0.726	Intermediate Similarity	NPC251090
0.7257	Intermediate Similarity	NPC477531
0.7248	Intermediate Similarity	NPC470549
0.7246	Intermediate Similarity	NPC289786
0.7244	Intermediate Similarity	NPC252251
0.724	Intermediate Similarity	NPC26850
0.7237	Intermediate Similarity	NPC277351
0.7237	Intermediate Similarity	NPC473184
0.7236	Intermediate Similarity	NPC475215
0.7236	Intermediate Similarity	NPC108434
0.7235	Intermediate Similarity	NPC264176
0.7235	Intermediate Similarity	NPC472098
0.7231	Intermediate Similarity	NPC471178
0.7225	Intermediate Similarity	NPC101543
0.7225	Intermediate Similarity	NPC267928
0.7214	Intermediate Similarity	NPC293093
0.7212	Intermediate Similarity	NPC209174
0.7208	Intermediate Similarity	NPC476518
0.7207	Intermediate Similarity	NPC477532
0.7206	Intermediate Similarity	NPC61350
0.7205	Intermediate Similarity	NPC470017
0.7203	Intermediate Similarity	NPC77878
0.7202	Intermediate Similarity	NPC476287
0.7195	Intermediate Similarity	NPC308906
0.7193	Intermediate Similarity	NPC329631

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC290689 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	296
0.1-0.2	666
0.2-0.3	1020
0.3-0.4	1237
0.4-0.5	2537
0.5-0.6	2260
0.6-0.7	908
0.7-0.8	221
0.8-0.85	9
0.85-0.9	3
0.9-0.95	4
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.914	High Similarity	NPD3924	Approved
0.914	High Similarity	NPD3922	Approved
0.914	High Similarity	NPD3923	Approved
0.914	High Similarity	NPD3921	Approved
0.8794	High Similarity	NPD3816	Phase 1
0.8794	High Similarity	NPD3815	Phase 1
0.8548	High Similarity	NPD3920	Phase 2
0.8429	Intermediate Similarity	NPD6257	Clinical (unspecified phase)
0.8351	Intermediate Similarity	NPD6569	Phase 2
0.8263	Intermediate Similarity	NPD7414	Clinical (unspecified phase)
0.8233	Intermediate Similarity	NPD6494	Phase 2
0.8182	Intermediate Similarity	NPD3763	Approved
0.8135	Intermediate Similarity	NPD4889	Approved
0.8088	Intermediate Similarity	NPD7222	Phase 2
0.8082	Intermediate Similarity	NPD7729	Clinical (unspecified phase)
0.8049	Intermediate Similarity	NPD5863	Clinical (unspecified phase)
0.797	Intermediate Similarity	NPD6219	Discontinued
0.7926	Intermediate Similarity	NPD8052	Clinical (unspecified phase)
0.7906	Intermediate Similarity	NPD1923	Clinical (unspecified phase)
0.79	Intermediate Similarity	NPD6861	Clinical (unspecified phase)
0.7892	Intermediate Similarity	NPD6477	Clinical (unspecified phase)
0.787	Intermediate Similarity	NPD7674	Phase 3
0.787	Intermediate Similarity	NPD7676	Clinical (unspecified phase)
0.787	Intermediate Similarity	NPD8091	Phase 3
0.787	Intermediate Similarity	NPD7675	Phase 3
0.7864	Intermediate Similarity	NPD6963	Approved
0.7864	Intermediate Similarity	NPD6964	Approved
0.7861	Intermediate Similarity	NPD3477	Phase 2
0.7861	Intermediate Similarity	NPD3478	Clinical (unspecified phase)
0.7851	Intermediate Similarity	NPD7859	Phase 2
0.785	Intermediate Similarity	NPD4551	Phase 2
0.7826	Intermediate Similarity	NPD7452	Approved
0.7826	Intermediate Similarity	NPD7453	Approved
0.7822	Intermediate Similarity	NPD6230	Discontinued
0.782	Intermediate Similarity	NPD6140	Clinical (unspecified phase)
0.7811	Intermediate Similarity	NPD4418	Discontinued
0.781	Intermediate Similarity	NPD7069	Discontinued
0.7789	Intermediate Similarity	NPD6872	Clinical (unspecified phase)
0.7788	Intermediate Similarity	NPD5658	Approved
0.7742	Intermediate Similarity	NPD7719	Discontinued
0.7721	Intermediate Similarity	NPD5070	Clinical (unspecified phase)
0.7707	Intermediate Similarity	NPD4396	Clinical (unspecified phase)
0.7678	Intermediate Similarity	NPD4131	Phase 3
0.7658	Intermediate Similarity	NPD7558	Phase 2
0.7644	Intermediate Similarity	NPD31	Approved
0.7644	Intermediate Similarity	NPD3397	Phase 2
0.7644	Intermediate Similarity	NPD32	Approved
0.7644	Intermediate Similarity	NPD4036	Approved
0.7644	Intermediate Similarity	NPD4034	Approved
0.7644	Intermediate Similarity	NPD4035	Approved
0.7644	Intermediate Similarity	NPD4037	Approved
0.7644	Intermediate Similarity	NPD4039	Approved
0.7644	Intermediate Similarity	NPD4122	Approved
0.7644	Intermediate Similarity	NPD4038	Approved
0.7644	Intermediate Similarity	NPD4033	Approved
0.7628	Intermediate Similarity	NPD6568	Discontinued
0.7626	Intermediate Similarity	NPD7426	Phase 1
0.7617	Intermediate Similarity	NPD5612	Discontinued
0.7574	Intermediate Similarity	NPD2334	Discontinued
0.7564	Intermediate Similarity	NPD7169	Suspended
0.756	Intermediate Similarity	NPD4795	Phase 2
0.7555	Intermediate Similarity	NPD8100	Phase 3
0.7551	Intermediate Similarity	NPD1032	Phase 2
0.7525	Intermediate Similarity	NPD3386	Phase 2
0.7524	Intermediate Similarity	NPD5601	Phase 2
0.7524	Intermediate Similarity	NPD5530	Phase 1
0.7512	Intermediate Similarity	NPD1034	Phase 3
0.7512	Intermediate Similarity	NPD1033	Clinical (unspecified phase)
0.75	Intermediate Similarity	NPD2782	Approved
0.75	Intermediate Similarity	NPD2780	Approved
0.7463	Intermediate Similarity	NPD3395	Approved
0.7463	Intermediate Similarity	NPD4375	Approved
0.7463	Intermediate Similarity	NPD3396	Approved
0.7457	Intermediate Similarity	NPD8101	Phase 3
0.7453	Intermediate Similarity	NPD2739	Clinical (unspecified phase)
0.7449	Intermediate Similarity	NPD5602	Clinical (unspecified phase)
0.7443	Intermediate Similarity	NPD5147	Discontinued
0.7442	Intermediate Similarity	NPD7571	Clinical (unspecified phase)
0.7438	Intermediate Similarity	NPD8063	Discontinued
0.7437	Intermediate Similarity	NPD4203	Approved
0.7437	Intermediate Similarity	NPD4204	Approved
0.7432	Intermediate Similarity	NPD6553	Clinical (unspecified phase)
0.7424	Intermediate Similarity	NPD4875	Phase 3
0.7424	Intermediate Similarity	NPD4876	Phase 3
0.7423	Intermediate Similarity	NPD2781	Approved
0.7415	Intermediate Similarity	NPD1038	Approved
0.7415	Intermediate Similarity	NPD1304	Clinical (unspecified phase)
0.7414	Intermediate Similarity	NPD8350	Clinical (unspecified phase)
0.7412	Intermediate Similarity	NPD7885	Phase 2
0.7412	Intermediate Similarity	NPD7886	Phase 2
0.7407	Intermediate Similarity	NPD5902	Approved
0.7407	Intermediate Similarity	NPD5903	Approved
0.7404	Intermediate Similarity	NPD3825	Phase 3
0.7404	Intermediate Similarity	NPD8442	Discontinued
0.7397	Intermediate Similarity	NPD7678	Clinical (unspecified phase)
0.7397	Intermediate Similarity	NPD5930	Phase 3
0.7391	Intermediate Similarity	NPD7620	Phase 2
0.7379	Intermediate Similarity	NPD6491	Clinical (unspecified phase)
0.7378	Intermediate Similarity	NPD4885	Approved
0.7376	Intermediate Similarity	NPD4920	Clinical (unspecified phase)
0.7376	Intermediate Similarity	NPD4921	Phase 3
0.7376	Intermediate Similarity	NPD4919	Phase 3
0.7374	Intermediate Similarity	NPD4071	Approved
0.7374	Intermediate Similarity	NPD4072	Approved
0.7371	Intermediate Similarity	NPD7672	Approved
0.7371	Intermediate Similarity	NPD5528	Clinical (unspecified phase)
0.7371	Intermediate Similarity	NPD7671	Approved
0.7371	Intermediate Similarity	NPD5529	Phase 1
0.7366	Intermediate Similarity	NPD4372	Phase 1
0.7362	Intermediate Similarity	NPD4926	Clinical (unspecified phase)
0.7352	Intermediate Similarity	NPD6501	Approved
0.7352	Intermediate Similarity	NPD6500	Approved
0.7347	Intermediate Similarity	NPD1078	Clinical (unspecified phase)
0.733	Intermediate Similarity	NPD6361	Phase 2
0.7327	Intermediate Similarity	NPD7424	Clinical (unspecified phase)
0.7323	Intermediate Similarity	NPD8251	Approved
0.7323	Intermediate Similarity	NPD8252	Approved
0.7323	Intermediate Similarity	NPD8099	Discontinued
0.7308	Intermediate Similarity	NPD6769	Clinical (unspecified phase)
0.7306	Intermediate Similarity	NPD7395	Discontinued
0.7304	Intermediate Similarity	NPD4021	Phase 2
0.7302	Intermediate Similarity	NPD6262	Clinical (unspecified phase)
0.7291	Intermediate Similarity	NPD2917	Approved
0.7286	Intermediate Similarity	NPD5751	Clinical (unspecified phase)
0.7286	Intermediate Similarity	NPD1739	Approved
0.7286	Intermediate Similarity	NPD1740	Approved
0.7286	Intermediate Similarity	NPD8156	Discontinued
0.7277	Intermediate Similarity	NPD5083	Clinical (unspecified phase)
0.7277	Intermediate Similarity	NPD2060	Approved
0.726	Intermediate Similarity	NPD6550	Discontinued
0.726	Intermediate Similarity	NPD7823	Clinical (unspecified phase)
0.7257	Intermediate Similarity	NPD4995	Approved
0.7257	Intermediate Similarity	NPD4996	Approved
0.7252	Intermediate Similarity	NPD1856	Discontinued
0.7251	Intermediate Similarity	NPD6592	Clinical (unspecified phase)
0.7244	Intermediate Similarity	NPD7710	Clinical (unspecified phase)
0.7244	Intermediate Similarity	NPD7555	Discontinued
0.7243	Intermediate Similarity	NPD5429	Discontinued
0.7241	Intermediate Similarity	NPD6344	Clinical (unspecified phase)
0.724	Intermediate Similarity	NPD2581	Approved
0.724	Intermediate Similarity	NPD2582	Approved
0.7238	Intermediate Similarity	NPD3541	Clinical (unspecified phase)
0.7238	Intermediate Similarity	NPD4118	Clinical (unspecified phase)
0.723	Intermediate Similarity	NPD3946	Clinical (unspecified phase)
0.7228	Intermediate Similarity	NPD5522	Clinical (unspecified phase)
0.7225	Intermediate Similarity	NPD7948	Phase 1
0.7214	Intermediate Similarity	NPD2599	Approved
0.7214	Intermediate Similarity	NPD2601	Approved
0.7214	Intermediate Similarity	NPD2600	Approved
0.7212	Intermediate Similarity	NPD4925	Approved
0.7212	Intermediate Similarity	NPD6590	Discontinued
0.7203	Intermediate Similarity	NPD6503	Clinical (unspecified phase)
0.7196	Intermediate Similarity	NPD8403	Phase 1
0.7193	Intermediate Similarity	NPD6741	Clinical (unspecified phase)
0.719	Intermediate Similarity	NPD7889	Clinical (unspecified phase)
0.7189	Intermediate Similarity	NPD4502	Phase 2
0.7186	Intermediate Similarity	NPD7025	Clinical (unspecified phase)
0.7168	Intermediate Similarity	NPD5559	Phase 2
0.7167	Intermediate Similarity	NPD7955	Approved
0.7167	Intermediate Similarity	NPD7956	Approved
0.7162	Intermediate Similarity	NPD7807	Clinical (unspecified phase)
0.7161	Intermediate Similarity	NPD6244	Phase 3
0.7161	Intermediate Similarity	NPD6525	Clinical (unspecified phase)
0.7161	Intermediate Similarity	NPD6243	Phase 3
0.7156	Intermediate Similarity	NPD4927	Discontinued
0.7155	Intermediate Similarity	NPD8049	Phase 2
0.7149	Intermediate Similarity	NPD8109	Clinical (unspecified phase)
0.7149	Intermediate Similarity	NPD7705	Clinical (unspecified phase)
0.7143	Intermediate Similarity	NPD2952	Discontinued
0.7137	Intermediate Similarity	NPD7567	Approved
0.7137	Intermediate Similarity	NPD8512	Phase 3
0.7137	Intermediate Similarity	NPD7708	Approved
0.7136	Intermediate Similarity	NPD6147	Clinical (unspecified phase)
0.7136	Intermediate Similarity	NPD6208	Discontinued
0.713	Intermediate Similarity	NPD4881	Clinical (unspecified phase)
0.7129	Intermediate Similarity	NPD1602	Discontinued
0.7129	Intermediate Similarity	NPD3324	Clinical (unspecified phase)
0.7122	Intermediate Similarity	NPD5256	Discontinued
0.7121	Intermediate Similarity	NPD4724	Clinical (unspecified phase)
0.7119	Intermediate Similarity	NPD5007	Approved
0.7117	Intermediate Similarity	NPD3402	Phase 1
0.7112	Intermediate Similarity	NPD8016	Phase 3
0.7112	Intermediate Similarity	NPD5905	Phase 1
0.7112	Intermediate Similarity	NPD8017	Clinical (unspecified phase)
0.711	Intermediate Similarity	NPD5067	Phase 2
0.711	Intermediate Similarity	NPD5066	Phase 2
0.7103	Intermediate Similarity	NPD6991	Approved
0.7101	Intermediate Similarity	NPD6281	Approved
0.7098	Intermediate Similarity	NPD1954	Phase 1
0.7095	Intermediate Similarity	NPD2482	Clinical (unspecified phase)
0.7091	Intermediate Similarity	NPD6528	Phase 1
0.7089	Intermediate Similarity	NPD5437	Clinical (unspecified phase)
0.7085	Intermediate Similarity	NPD6242	Discontinued
0.7083	Intermediate Similarity	NPD1392	Approved
0.7079	Intermediate Similarity	NPD1620	Clinical (unspecified phase)
0.7075	Intermediate Similarity	NPD3837	Clinical (unspecified phase)
0.7073	Intermediate Similarity	NPD8054	Approved
0.7073	Intermediate Similarity	NPD8053	Approved
0.7067	Intermediate Similarity	NPD4148	Approved
0.7064	Intermediate Similarity	NPD5483	Clinical (unspecified phase)

Structure

CID290689 OpenBabel06191716102D 47 52 0 0 0 0 0 0 0 0999 V2000 3.4641 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 7.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6603 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5263 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1962 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5981 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5981 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1962 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9282 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9282 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0622 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0622 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1962 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7942 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7942 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 2.5000 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.7321 3.0000 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.0000 7.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6603 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6603 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 6.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 40 1 0 0 0 0 2 41 1 0 0 0 0 3 42 1 0 0 0 0 4 43 1 0 0 0 0 5 44 1 0 0 0 0 6 45 1 0 0 0 0 7 46 1 0 0 0 0 8 11 1 0 0 0 0 8 25 2 0 0 0 0 9 12 2 0 0 0 0 9 25 1 0 0 0 0 10 13 2 0 0 0 0 10 26 1 0 0 0 0 11 29 2 0 0 0 0 12 29 1 0 0 0 0 13 34 1 0 0 0 0 14 16 2 0 0 0 0 14 27 1 0 0 0 0 15 17 2 0 0 0 0 15 28 1 0 0 0 0 16 40 1 0 0 0 0 17 41 1 0 0 0 0 18 25 1 0 0 0 0 18 32 1 0 0 0 0 19 26 1 0 0 0 0 19 33 1 0 0 0 0 20 26 2 0 0 0 0 20 39 1 0 0 0 0 21 27 2 0 0 0 0 21 35 1 0 0 0 0 22 28 2 0 0 0 0 22 36 1 0 0 0 0 23 30 2 0 0 0 0 23 37 1 0 0 0 0 24 31 2 0 0 0 0 24 38 1 0 0 0 0 27 30 1 0 0 0 0 28 31 1 0 0 0 0 29 47 1 0 0 0 0 30 32 1 0 0 0 0 31 33 1 0 0 0 0 32 40 2 0 0 0 0 33 41 2 0 0 0 0 34 39 2 0 0 0 0 34 42 1 0 0 0 0 35 37 2 0 0 0 0 35 43 1 0 0 0 0 36 38 2 0 0 0 0 36 44 1 0 0 0 0 37 45 1 0 0 0 0 38 46 1 0 0 0 0 39 47 1 0 0 0 0 M CHG 2 40 1 41 1 M END $$$$

External Identifiers

PubChem CID	73053
ChEMBL	CHEMBL508408
ZINC

Physicochemical Properties

Molecular Weight:	632.29
ALogP:	-2.4539
MLogP:	4.87
XLogP:	7.404
# Rotatable Bonds:	18
Polar Surface Area:	63.14
# H-Bond Aceptor:	0
# H-Bond Donor:	0
# Rings:	6
# Heavy Atoms:	47

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