NPASS Natural Product

Natural Product: NPC325093

Natural Product ID:	NPC325093
Common Name:	Lonijaposide I
IUPAC Name:	(2S,3R,4S)-3-ethenyl-4-[(E)-2-[1-(2-hydroxyethyl)pyridin-1-ium-3-yl]ethenyl]-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylate
Synonyms:	Lonijaposide I
Molecular Formula:	C23H29NO10
Standard InCHIKey:	FNYPZWBJPFEVFN-YLCGFITOSA-N
Standard InCHI:	InChI=1S/C23H29NO10/c1-2-14-15(6-5-13-4-3-7-24(10-13)8-9-25)16(21(30)31)12-32-22(14)34-23-20(29)19(28)18(27)17(11-26)33-23/h2-7,10,12,14-15,17-20,22-23,25-29H,1,8-9,11H2/b6-5+/t14-,15+,17-,18-,19+,20-,22+,23+/m1/s1
Canonical SMILES:	OCC[n+]1cccc(c1)/C=C/[C@H]1[C@@H](C=C)[C@@H](OC=C1C(=O)[O-])O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O
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
NPO1515	Lonicera japonica	Species	Caprifoliaceae	Eukaryota	flower buds	Henan province, China	2005-MAY	PMID[21942812]
NPO1515	Lonicera japonica	Species	Caprifoliaceae	Eukaryota	Flower buds			PMID[21942812]

Biological Activity

Activity Type	# Activity
Others	1

Activity Type	# Activity
Others	1

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT2	Others	Unspecified		Inhibition	=	72.1	%	21942812

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 NPC325093 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	178
0.1-0.2	1025
0.2-0.3	4234
0.3-0.4	11580
0.4-0.5	10801
0.5-0.6	2412
0.6-0.7	574
0.7-0.8	63
0.8-0.85	2
0.85-0.9	10
0.9-0.95	3
0.95-1	7

Similarity Score	Similarity Level	Natural Product ID
0.9878	High Similarity	NPC318020
0.9759	High Similarity	NPC328798
0.9756	High Similarity	NPC322043
0.9756	High Similarity	NPC327373
0.9701	High Similarity	NPC182814
0.9586	High Similarity	NPC127647
0.9524	High Similarity	NPC325775
0.9205	High Similarity	NPC50997
0.9205	High Similarity	NPC160127
0.9195	High Similarity	NPC20593
0.8933	High Similarity	NPC59033
0.8833	High Similarity	NPC79223
0.8771	High Similarity	NPC329024
0.8722	High Similarity	NPC317672
0.8722	High Similarity	NPC320748
0.8722	High Similarity	NPC324245
0.8641	High Similarity	NPC12944
0.8641	High Similarity	NPC25442
0.8579	High Similarity	NPC32451
0.8548	High Similarity	NPC156044
0.8478	Intermediate Similarity	NPC328559
0.8325	Intermediate Similarity	NPC111732
0.7917	Intermediate Similarity	NPC309498
0.7692	Intermediate Similarity	NPC317010
0.767	Intermediate Similarity	NPC474217
0.7629	Intermediate Similarity	NPC476115
0.7614	Intermediate Similarity	NPC71079
0.7588	Intermediate Similarity	NPC292517
0.7528	Intermediate Similarity	NPC85918
0.7525	Intermediate Similarity	NPC162812
0.7513	Intermediate Similarity	NPC474905
0.7486	Intermediate Similarity	NPC278366
0.7486	Intermediate Similarity	NPC127730
0.7475	Intermediate Similarity	NPC30570
0.7475	Intermediate Similarity	NPC476114
0.7437	Intermediate Similarity	NPC472752
0.7402	Intermediate Similarity	NPC82070
0.7391	Intermediate Similarity	NPC475271
0.7345	Intermediate Similarity	NPC138018
0.7337	Intermediate Similarity	NPC475835
0.7333	Intermediate Similarity	NPC477975
0.7304	Intermediate Similarity	NPC477910
0.7282	Intermediate Similarity	NPC52254
0.7241	Intermediate Similarity	NPC472553
0.7241	Intermediate Similarity	NPC476467
0.7233	Intermediate Similarity	NPC174788
0.7232	Intermediate Similarity	NPC263455
0.7214	Intermediate Similarity	NPC63041
0.7188	Intermediate Similarity	NPC472435
0.7186	Intermediate Similarity	NPC322488
0.7184	Intermediate Similarity	NPC475408
0.7184	Intermediate Similarity	NPC471014
0.7178	Intermediate Similarity	NPC472550
0.7178	Intermediate Similarity	NPC48042
0.7178	Intermediate Similarity	NPC304179
0.7158	Intermediate Similarity	NPC62510
0.7158	Intermediate Similarity	NPC319456
0.715	Intermediate Similarity	NPC144779
0.715	Intermediate Similarity	NPC294579
0.7136	Intermediate Similarity	NPC470306
0.7115	Intermediate Similarity	NPC472555
0.7107	Intermediate Similarity	NPC149708
0.7101	Intermediate Similarity	NPC471016
0.7101	Intermediate Similarity	NPC6981
0.7095	Intermediate Similarity	NPC477911
0.7093	Intermediate Similarity	NPC472436
0.7087	Intermediate Similarity	NPC319128
0.7087	Intermediate Similarity	NPC228331
0.7087	Intermediate Similarity	NPC313640
0.7067	Intermediate Similarity	NPC62367
0.7059	Intermediate Similarity	NPC476090
0.7048	Intermediate Similarity	NPC477912
0.7042	Intermediate Similarity	NPC211920
0.7042	Intermediate Similarity	NPC124029
0.7037	Intermediate Similarity	NPC471997
0.7033	Intermediate Similarity	NPC301368
0.7033	Intermediate Similarity	NPC216428
0.7033	Intermediate Similarity	NPC84815
0.703	Intermediate Similarity	NPC238457
0.7028	Intermediate Similarity	NPC477902
0.7028	Intermediate Similarity	NPC233727
0.7019	Intermediate Similarity	NPC206343
0.7019	Intermediate Similarity	NPC477908
0.701	Intermediate Similarity	NPC477548
0.7005	Intermediate Similarity	NPC109922
0.6995	Remote Similarity	NPC148860
0.6985	Remote Similarity	NPC474767
0.6983	Remote Similarity	NPC312860
0.6982	Remote Similarity	NPC472434
0.6981	Remote Similarity	NPC471980
0.6974	Remote Similarity	NPC114974
0.6971	Remote Similarity	NPC477907
0.6971	Remote Similarity	NPC42678
0.6971	Remote Similarity	NPC477909
0.6959	Remote Similarity	NPC75544
0.6957	Remote Similarity	NPC165837
0.6952	Remote Similarity	NPC477976
0.6948	Remote Similarity	NPC475498
0.6948	Remote Similarity	NPC475137
0.6948	Remote Similarity	NPC473850
0.6948	Remote Similarity	NPC328154
0.6944	Remote Similarity	NPC477906
0.6934	Remote Similarity	NPC127026
0.6934	Remote Similarity	NPC127720
0.6927	Remote Similarity	NPC207851
0.6923	Remote Similarity	NPC264674
0.6916	Remote Similarity	NPC473506
0.6908	Remote Similarity	NPC323551
0.6908	Remote Similarity	NPC280473
0.6905	Remote Similarity	NPC314270
0.6901	Remote Similarity	NPC57797
0.6901	Remote Similarity	NPC250807
0.6901	Remote Similarity	NPC76565
0.689	Remote Similarity	NPC207531
0.6884	Remote Similarity	NPC475601
0.6875	Remote Similarity	NPC51008
0.6875	Remote Similarity	NPC41724
0.6866	Remote Similarity	NPC150698
0.6866	Remote Similarity	NPC96801
0.686	Remote Similarity	NPC29702
0.686	Remote Similarity	NPC470189
0.686	Remote Similarity	NPC40919
0.6854	Remote Similarity	NPC477974
0.6852	Remote Similarity	NPC470486
0.6852	Remote Similarity	NPC475362
0.6852	Remote Similarity	NPC471190
0.6852	Remote Similarity	NPC471977
0.6852	Remote Similarity	NPC475644
0.6849	Remote Similarity	NPC170751
0.6847	Remote Similarity	NPC99891
0.6842	Remote Similarity	NPC4421
0.6835	Remote Similarity	NPC469748
0.6828	Remote Similarity	NPC41717
0.6827	Remote Similarity	NPC244856
0.6825	Remote Similarity	NPC319556
0.6821	Remote Similarity	NPC114310
0.6818	Remote Similarity	NPC57453
0.6818	Remote Similarity	NPC103230
0.6814	Remote Similarity	NPC289086
0.681	Remote Similarity	NPC193361
0.681	Remote Similarity	NPC62844
0.6809	Remote Similarity	NPC249614
0.6806	Remote Similarity	NPC475631
0.6806	Remote Similarity	NPC244536
0.6806	Remote Similarity	NPC228377
0.6806	Remote Similarity	NPC87152
0.6806	Remote Similarity	NPC328186
0.6806	Remote Similarity	NPC146824
0.6806	Remote Similarity	NPC476110
0.6806	Remote Similarity	NPC477787
0.6806	Remote Similarity	NPC122968
0.6806	Remote Similarity	NPC475600
0.6804	Remote Similarity	NPC133591
0.6796	Remote Similarity	NPC107287
0.6796	Remote Similarity	NPC470190
0.6794	Remote Similarity	NPC221100
0.6794	Remote Similarity	NPC236424
0.6794	Remote Similarity	NPC306644
0.6794	Remote Similarity	NPC234078
0.6789	Remote Similarity	NPC150048
0.6789	Remote Similarity	NPC203754
0.6784	Remote Similarity	NPC135950
0.678	Remote Similarity	NPC471323
0.6769	Remote Similarity	NPC38823
0.6769	Remote Similarity	NPC291759
0.6769	Remote Similarity	NPC207033
0.6762	Remote Similarity	NPC274842
0.6762	Remote Similarity	NPC153452
0.6758	Remote Similarity	NPC30456
0.6748	Remote Similarity	NPC316403
0.6745	Remote Similarity	NPC75600
0.6745	Remote Similarity	NPC473115
0.6745	Remote Similarity	NPC212768
0.6745	Remote Similarity	NPC6576
0.6745	Remote Similarity	NPC158020
0.6745	Remote Similarity	NPC187494
0.6745	Remote Similarity	NPC473089
0.6742	Remote Similarity	NPC167400
0.6737	Remote Similarity	NPC469938
0.6736	Remote Similarity	NPC71037
0.673	Remote Similarity	NPC288349
0.6729	Remote Similarity	NPC477903
0.6727	Remote Similarity	NPC237702
0.672	Remote Similarity	NPC273532
0.6717	Remote Similarity	NPC472097
0.6713	Remote Similarity	NPC26881
0.6712	Remote Similarity	NPC292416
0.6712	Remote Similarity	NPC473689
0.6712	Remote Similarity	NPC316841
0.6712	Remote Similarity	NPC475596
0.6712	Remote Similarity	NPC475303
0.6711	Remote Similarity	NPC476516
0.6701	Remote Similarity	NPC209917
0.6698	Remote Similarity	NPC235364
0.6697	Remote Similarity	NPC327769
0.6697	Remote Similarity	NPC475426
0.6697	Remote Similarity	NPC35208
0.6686	Remote Similarity	NPC471311
0.6686	Remote Similarity	NPC471313
0.6685	Remote Similarity	NPC159630

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC325093 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	146
0.1-0.2	424
0.2-0.3	808
0.3-0.4	1622
0.4-0.5	3716
0.5-0.6	2019
0.6-0.7	408
0.7-0.8	18
0.8-0.85	0
0.85-0.9	0
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.7612	Intermediate Similarity	NPD8327	Clinical (unspecified phase)
0.7612	Intermediate Similarity	NPD8326	Phase 3
0.7612	Intermediate Similarity	NPD8325	Phase 3
0.7571	Intermediate Similarity	NPD5088	Discontinued
0.75	Intermediate Similarity	NPD7396	Approved
0.7381	Intermediate Similarity	NPD2896	Discontinued
0.7277	Intermediate Similarity	NPD2544	Clinical (unspecified phase)
0.7251	Intermediate Similarity	NPD4805	Approved
0.7183	Intermediate Similarity	NPD8372	Clinical (unspecified phase)
0.7166	Intermediate Similarity	NPD8037	Clinical (unspecified phase)
0.7166	Intermediate Similarity	NPD8036	Clinical (unspecified phase)
0.7135	Intermediate Similarity	NPD2809	Approved
0.7135	Intermediate Similarity	NPD4804	Approved
0.7074	Intermediate Similarity	NPD8304	Clinical (unspecified phase)
0.7072	Intermediate Similarity	NPD2511	Approved
0.7027	Intermediate Similarity	NPD8468	Phase 2
0.7018	Intermediate Similarity	NPD8409	Suspended
0.7011	Intermediate Similarity	NPD4174	Clinical (unspecified phase)
0.6995	Remote Similarity	NPD6635	Approved
0.6977	Remote Similarity	NPD1380	Discovery
0.6971	Remote Similarity	NPD751	Clinical (unspecified phase)
0.6961	Remote Similarity	NPD820	Phase 3
0.6959	Remote Similarity	NPD7234	Approved
0.6959	Remote Similarity	NPD7233	Approved
0.6927	Remote Similarity	NPD5965	Clinical (unspecified phase)
0.6927	Remote Similarity	NPD6529	Discontinued
0.6904	Remote Similarity	NPD4529	Approved
0.6904	Remote Similarity	NPD4528	Approved
0.6904	Remote Similarity	NPD4526	Approved
0.6887	Remote Similarity	NPD6298	Discontinued
0.6881	Remote Similarity	NPD5721	Clinical (unspecified phase)
0.6879	Remote Similarity	NPD203	Clinical (unspecified phase)
0.6869	Remote Similarity	NPD4427	Phase 2
0.6857	Remote Similarity	NPD1383	Phase 3
0.6857	Remote Similarity	NPD1382	Phase 2
0.6848	Remote Similarity	NPD4239	Clinical (unspecified phase)
0.6825	Remote Similarity	NPD5322	Clinical (unspecified phase)
0.6818	Remote Similarity	NPD1427	Clinical (unspecified phase)
0.6813	Remote Similarity	NPD6026	Approved
0.6809	Remote Similarity	NPD6739	Clinical (unspecified phase)
0.6806	Remote Similarity	NPD4086	Phase 1
0.6802	Remote Similarity	NPD1977	Clinical (unspecified phase)
0.6791	Remote Similarity	NPD5862	Discovery
0.6778	Remote Similarity	NPD7913	Clinical (unspecified phase)
0.6772	Remote Similarity	NPD43	Approved
0.6772	Remote Similarity	NPD6183	Clinical (unspecified phase)
0.6772	Remote Similarity	NPD6182	Approved
0.6771	Remote Similarity	NPD5897	Approved
0.6771	Remote Similarity	NPD5899	Approved
0.6771	Remote Similarity	NPD5898	Approved
0.6769	Remote Similarity	NPD8370	Discontinued
0.6761	Remote Similarity	NPD8479	Phase 2
0.6751	Remote Similarity	NPD4081	Clinical (unspecified phase)
0.6751	Remote Similarity	NPD8063	Discontinued
0.675	Remote Similarity	NPD7061	Clinical (unspecified phase)
0.6749	Remote Similarity	NPD3911	Approved
0.6742	Remote Similarity	NPD9075	Approved
0.6742	Remote Similarity	NPD9074	Approved
0.6739	Remote Similarity	NPD5255	Approved
0.6726	Remote Similarity	NPD8375	Approved
0.672	Remote Similarity	NPD485	Clinical (unspecified phase)
0.6714	Remote Similarity	NPD3795	Approved
0.6714	Remote Similarity	NPD3794	Approved
0.6686	Remote Similarity	NPD1627	Clinical (unspecified phase)
0.6685	Remote Similarity	NPD2582	Approved
0.6685	Remote Similarity	NPD2581	Approved
0.6682	Remote Similarity	NPD5640	Discontinued
0.6667	Remote Similarity	NPD3321	Discontinued
0.6667	Remote Similarity	NPD8371	Clinical (unspecified phase)
0.6667	Remote Similarity	NPD8123	Approved
0.6667	Remote Similarity	NPD8122	Approved
0.6667	Remote Similarity	NPD9206	Approved
0.6667	Remote Similarity	NPD9207	Approved
0.665	Remote Similarity	NPD8020	Approved
0.665	Remote Similarity	NPD8021	Approved
0.6649	Remote Similarity	NPD8408	Discontinued
0.6648	Remote Similarity	NPD510	Phase 1
0.6638	Remote Similarity	NPD8373	Clinical (unspecified phase)
0.6629	Remote Similarity	NPD9506	Approved
0.661	Remote Similarity	NPD107	Approved
0.6604	Remote Similarity	NPD5148	Clinical (unspecified phase)
0.6604	Remote Similarity	NPD5149	Phase 2
0.66	Remote Similarity	NPD6665	Discontinued
0.6587	Remote Similarity	NPD7562	Approved
0.6582	Remote Similarity	NPD1096	Discontinued
0.6579	Remote Similarity	NPD8291	Clinical (unspecified phase)
0.6575	Remote Similarity	NPD9271	Approved
0.657	Remote Similarity	NPD4122	Approved
0.657	Remote Similarity	NPD4035	Approved
0.657	Remote Similarity	NPD4039	Approved
0.657	Remote Similarity	NPD4038	Approved
0.657	Remote Similarity	NPD4033	Approved
0.657	Remote Similarity	NPD31	Approved
0.657	Remote Similarity	NPD32	Approved
0.657	Remote Similarity	NPD4036	Approved
0.657	Remote Similarity	NPD4037	Approved
0.657	Remote Similarity	NPD4034	Approved
0.6553	Remote Similarity	NPD6477	Clinical (unspecified phase)
0.655	Remote Similarity	NPD2336	Approved
0.6548	Remote Similarity	NPD4889	Approved
0.6542	Remote Similarity	NPD4989	Phase 2
0.6538	Remote Similarity	NPD6732	Clinical (unspecified phase)
0.6537	Remote Similarity	NPD4396	Clinical (unspecified phase)
0.6537	Remote Similarity	NPD4501	Approved
0.6537	Remote Similarity	NPD4500	Approved
0.6533	Remote Similarity	NPD4021	Phase 2
0.6533	Remote Similarity	NPD6068	Discontinued
0.6531	Remote Similarity	NPD5728	Clinical (unspecified phase)
0.6528	Remote Similarity	NPD3280	Approved
0.652	Remote Similarity	NPD7777	Approved
0.652	Remote Similarity	NPD53	Approved
0.652	Remote Similarity	NPD7778	Approved
0.6519	Remote Similarity	NPD6148	Clinical (unspecified phase)
0.6517	Remote Similarity	NPD6569	Phase 2
0.6516	Remote Similarity	NPD8374	Phase 3
0.6515	Remote Similarity	NPD4375	Approved
0.6512	Remote Similarity	NPD6578	Clinical (unspecified phase)
0.6509	Remote Similarity	NPD7069	Discontinued
0.65	Remote Similarity	NPD3813	Approved
0.6497	Remote Similarity	NPD6178	Phase 3
0.6495	Remote Similarity	NPD6641	Approved
0.6495	Remote Similarity	NPD6642	Approved
0.6493	Remote Similarity	NPD4900	Clinical (unspecified phase)
0.6488	Remote Similarity	NPD6661	Clinical (unspecified phase)
0.6485	Remote Similarity	NPD6361	Phase 2
0.6484	Remote Similarity	NPD4702	Approved
0.6484	Remote Similarity	NPD4703	Approved
0.648	Remote Similarity	NPD1783	Clinical (unspecified phase)
0.6474	Remote Similarity	NPD5611	Phase 2
0.6473	Remote Similarity	NPD8329	Phase 3
0.6471	Remote Similarity	NPD6206	Phase 1
0.6468	Remote Similarity	NPD8356	Approved
0.6465	Remote Similarity	NPD3082	Discontinued
0.6456	Remote Similarity	NPD6479	Discontinued
0.6453	Remote Similarity	NPD7944	Discontinued
0.645	Remote Similarity	NPD4334	Discontinued
0.644	Remote Similarity	NPD4640	Approved
0.644	Remote Similarity	NPD4639	Approved
0.644	Remote Similarity	NPD4638	Approved
0.6436	Remote Similarity	NPD4376	Phase 3
0.6432	Remote Similarity	NPD180	Clinical (unspecified phase)
0.6432	Remote Similarity	NPD7886	Phase 2
0.6432	Remote Similarity	NPD7885	Phase 2
0.6425	Remote Similarity	NPD1649	Discontinued
0.6422	Remote Similarity	NPD2307	Discontinued
0.6417	Remote Similarity	NPD4671	Clinical (unspecified phase)
0.6417	Remote Similarity	NPD4669	Clinical (unspecified phase)
0.6417	Remote Similarity	NPD4670	Clinical (unspecified phase)
0.6411	Remote Similarity	NPD2831	Approved
0.641	Remote Similarity	NPD5751	Clinical (unspecified phase)
0.641	Remote Similarity	NPD1032	Phase 2
0.64	Remote Similarity	NPD6257	Clinical (unspecified phase)
0.6398	Remote Similarity	NPD2061	Approved
0.6396	Remote Similarity	NPD3386	Phase 2
0.6395	Remote Similarity	NPD9284	Approved
0.6394	Remote Similarity	NPD7561	Approved
0.6393	Remote Similarity	NPD1270	Approved
0.6386	Remote Similarity	NPD3785	Clinical (unspecified phase)
0.6381	Remote Similarity	NPD7957	Phase 1
0.6381	Remote Similarity	NPD7958	Clinical (unspecified phase)
0.638	Remote Similarity	NPD7426	Phase 1
0.6378	Remote Similarity	NPD1620	Clinical (unspecified phase)
0.6378	Remote Similarity	NPD3262	Approved
0.6373	Remote Similarity	NPD5975	Clinical (unspecified phase)
0.6373	Remote Similarity	NPD4602	Approved
0.6364	Remote Similarity	NPD5487	Phase 1
0.6364	Remote Similarity	NPD2121	Clinical (unspecified phase)
0.6364	Remote Similarity	NPD5213	Clinical (unspecified phase)
0.6364	Remote Similarity	NPD2094	Phase 2
0.6364	Remote Similarity	NPD2095	Phase 2
0.6364	Remote Similarity	NPD2092	Phase 2
0.6355	Remote Similarity	NPD5317	Clinical (unspecified phase)
0.6355	Remote Similarity	NPD5505	Discontinued
0.6354	Remote Similarity	NPD6872	Clinical (unspecified phase)
0.6354	Remote Similarity	NPD2781	Approved
0.6354	Remote Similarity	NPD3717	Discontinued
0.6351	Remote Similarity	NPD8430	Approved
0.6346	Remote Similarity	NPD7903	Clinical (unspecified phase)
0.6345	Remote Similarity	NPD1618	Phase 2
0.6341	Remote Similarity	NPD7818	Clinical (unspecified phase)
0.634	Remote Similarity	NPD2077	Approved
0.634	Remote Similarity	NPD750	Phase 2
0.634	Remote Similarity	NPD2076	Approved
0.6338	Remote Similarity	NPD6262	Clinical (unspecified phase)
0.6337	Remote Similarity	NPD6281	Approved
0.6335	Remote Similarity	NPD2782	Approved
0.6335	Remote Similarity	NPD2780	Approved
0.6333	Remote Similarity	NPD4906	Approved
0.6333	Remote Similarity	NPD7712	Clinical (unspecified phase)
0.6333	Remote Similarity	NPD4905	Approved
0.6333	Remote Similarity	NPD4903	Approved
0.6332	Remote Similarity	NPD7483	Phase 2
0.6332	Remote Similarity	NPD7482	Phase 2
0.6332	Remote Similarity	NPD2096	Phase 2
0.6332	Remote Similarity	NPD2091	Phase 2
0.633	Remote Similarity	NPD9383	Approved
0.633	Remote Similarity	NPD9382	Approved
0.6329	Remote Similarity	NPD6239	Discontinued
0.6328	Remote Similarity	NPD272	Approved
0.6321	Remote Similarity	NPD7947	Clinical (unspecified phase)

Structure

CID325093 OpenBabel06191716182D 34 36 0 0 1 0 0 0 0 0999 V2000 2.5981 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 1.0000 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 7.7942 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0622 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1962 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6603 1.0000 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 8.6603 3.0000 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 3.4641 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9282 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3301 -0.5000 0.0000 C 0 0 1 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 -0.8660 -0.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8660 -1.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0000 -2.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8660 -1.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1962 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 -0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8660 -0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7942 1.5000 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 8.6603 4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5981 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0622 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1962 -3.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.5981 -1.5000 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 1.7321 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 3 4 2 0 0 0 0 3 7 1 0 0 0 0 4 13 1 0 0 0 0 5 6 2 0 0 0 0 5 13 1 0 0 0 0 7 24 2 0 0 0 0 8 9 1 0 0 0 0 8 24 1 0 0 0 0 9 25 1 0 0 0 0 10 13 2 0 0 0 0 10 24 1 0 0 0 0 11 26 1 0 0 0 0 12 16 2 0 0 0 0 12 32 1 0 0 0 0 14 2 1 6 0 0 0 14 15 1 0 0 0 0 14 22 1 0 0 0 0 15 6 1 6 0 0 0 15 16 1 0 0 0 0 16 21 1 0 0 0 0 17 11 1 1 0 0 0 17 18 1 0 0 0 0 17 33 1 0 0 0 0 18 19 1 0 0 0 0 18 27 1 6 0 0 0 19 20 1 0 0 0 0 19 28 1 1 0 0 0 20 23 1 0 0 0 0 20 29 1 6 0 0 0 21 30 2 0 0 0 0 21 31 1 0 0 0 0 22 32 1 0 0 0 0 22 34 1 1 0 0 0 23 33 1 0 0 0 0 23 34 1 1 0 0 0 M CHG 2 24 1 31 -1 M END $$$$

External Identifiers

PubChem CID	56598336
ChEMBL	CHEMBL1928047
ZINC

Physicochemical Properties

Molecular Weight:	479.18
ALogP:	-4.5382
MLogP:	2.78
XLogP:	-0.219
# Rotatable Bonds:	15
Polar Surface Area:	172.85
# H-Bond Aceptor:	10
# H-Bond Donor:	5
# Rings:	3
# Heavy Atoms:	34

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