NPASS Natural Product

Natural Product: NPC474317

Natural Product ID:	NPC474317
Common Name:	Lopholide
IUPAC Name:
Synonyms:	Lopholide
Molecular Formula:	C23H26O9
Standard InCHIKey:	QFVLPFJFNHETFU-XFWUOHGQSA-N
Standard InCHI:	InChI=1S/C23H26O9/c1-10(2)12-6-14-13(20(25)27-5)8-15(29-14)18-22(4,31-18)9-16-19-23(32-19,21(26)30-16)17(7-12)28-11(3)24/h8,12,16-19H,1,6-7,9H2,2-5H3/t12-,16-,17+,18+,19-,22+,23-/m0/s1
Canonical SMILES:	COC(=O)c1cc2oc1C[C@@H](C[C@@H](OC(=O)C)[C@@]13[C@H]([C@H](C[C@@]4([C@@H]2O4)C)OC3=O)O1)C(=C)C
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
NPO17857	Leptogorgia alba	Species	Gorgoniidae	Eukaryota				PMID[15844963]
NPO32839	leptogorgia rigida	Species	Gorgoniidae	Eukaryota				PMID[15844963]

Biological Activity

Activity Type	# Activity
IC50	1

Activity Type	# Activity
Organism	1

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT6	Organism	Plasmodium falciparum	Plasmodium falciparum	IC50	=	105000	nM	10.6019/CHEMBL1201861

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 NPC474317 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	277
0.1-0.2	1160
0.2-0.3	2941
0.3-0.4	6276
0.4-0.5	7401
0.5-0.6	4963
0.6-0.7	6361
0.7-0.8	1475
0.8-0.85	16
0.85-0.9	6
0.9-0.95	6
0.95-1	7

Similarity Score	Similarity Level	Natural Product ID
0.9787	High Similarity	NPC474255
0.9787	High Similarity	NPC474220
0.9787	High Similarity	NPC471618
0.9718	High Similarity	NPC475904
0.9718	High Similarity	NPC474270
0.9714	High Similarity	NPC37488
0.9645	High Similarity	NPC475864
0.9437	High Similarity	NPC195920
0.9296	High Similarity	NPC110305
0.9252	High Similarity	NPC474378
0.9252	High Similarity	NPC474219
0.922	High Similarity	NPC282973
0.9149	High Similarity	NPC474615
0.8889	High Similarity	NPC248795
0.8844	High Similarity	NPC104924
0.8767	High Similarity	NPC254198
0.8714	High Similarity	NPC136340
0.8639	High Similarity	NPC22248
0.8618	High Similarity	NPC470380
0.8493	Intermediate Similarity	NPC107571
0.8483	Intermediate Similarity	NPC286130
0.8472	Intermediate Similarity	NPC159786
0.8403	Intermediate Similarity	NPC200718
0.8288	Intermediate Similarity	NPC303217
0.8148	Intermediate Similarity	NPC473766
0.8148	Intermediate Similarity	NPC473753
0.8125	Intermediate Similarity	NPC45947
0.8092	Intermediate Similarity	NPC86935
0.8063	Intermediate Similarity	NPC475381
0.8063	Intermediate Similarity	NPC305016
0.8063	Intermediate Similarity	NPC333139
0.8042	Intermediate Similarity	NPC137570
0.8027	Intermediate Similarity	NPC106247
0.8	Intermediate Similarity	NPC473368
0.8	Intermediate Similarity	NPC19747
0.7988	Intermediate Similarity	NPC472895
0.7974	Intermediate Similarity	NPC261733
0.7974	Intermediate Similarity	NPC218712
0.7974	Intermediate Similarity	NPC307346
0.7974	Intermediate Similarity	NPC267004
0.7962	Intermediate Similarity	NPC18135
0.7961	Intermediate Similarity	NPC473152
0.795	Intermediate Similarity	NPC191828
0.7939	Intermediate Similarity	NPC302392
0.7937	Intermediate Similarity	NPC286722
0.7935	Intermediate Similarity	NPC221809
0.7922	Intermediate Similarity	NPC10302
0.7922	Intermediate Similarity	NPC105381
0.7914	Intermediate Similarity	NPC123088
0.7914	Intermediate Similarity	NPC261184
0.7914	Intermediate Similarity	NPC276735
0.7891	Intermediate Similarity	NPC471545
0.7888	Intermediate Similarity	NPC237155
0.7888	Intermediate Similarity	NPC475295
0.7888	Intermediate Similarity	NPC473473
0.7875	Intermediate Similarity	NPC295608
0.7875	Intermediate Similarity	NPC126723
0.7875	Intermediate Similarity	NPC474542
0.7875	Intermediate Similarity	NPC209364
0.7875	Intermediate Similarity	NPC278010
0.7875	Intermediate Similarity	NPC107646
0.7875	Intermediate Similarity	NPC263265
0.7875	Intermediate Similarity	NPC250769
0.7875	Intermediate Similarity	NPC60973
0.7871	Intermediate Similarity	NPC62799
0.7867	Intermediate Similarity	NPC473268
0.7857	Intermediate Similarity	NPC84479
0.7853	Intermediate Similarity	NPC469846
0.784	Intermediate Similarity	NPC25255
0.7838	Intermediate Similarity	NPC474426
0.7838	Intermediate Similarity	NPC474425
0.7838	Intermediate Similarity	NPC474407
0.7826	Intermediate Similarity	NPC470625
0.7818	Intermediate Similarity	NPC476861
0.7818	Intermediate Similarity	NPC476850
0.7812	Intermediate Similarity	NPC131725
0.7791	Intermediate Similarity	NPC193798
0.7791	Intermediate Similarity	NPC470939
0.7771	Intermediate Similarity	NPC323137
0.7771	Intermediate Similarity	NPC473428
0.777	Intermediate Similarity	NPC45358
0.7756	Intermediate Similarity	NPC294365
0.7756	Intermediate Similarity	NPC171656
0.7755	Intermediate Similarity	NPC21460
0.775	Intermediate Similarity	NPC114880
0.775	Intermediate Similarity	NPC308555
0.775	Intermediate Similarity	NPC288534
0.7744	Intermediate Similarity	NPC14499
0.7744	Intermediate Similarity	NPC475039
0.7744	Intermediate Similarity	NPC285567
0.7744	Intermediate Similarity	NPC476035
0.7742	Intermediate Similarity	NPC476310
0.7742	Intermediate Similarity	NPC476164
0.7738	Intermediate Similarity	NPC120220
0.7738	Intermediate Similarity	NPC144288
0.7736	Intermediate Similarity	NPC475717
0.773	Intermediate Similarity	NPC472653
0.7727	Intermediate Similarity	NPC470856
0.7724	Intermediate Similarity	NPC216810
0.7722	Intermediate Similarity	NPC211625
0.7716	Intermediate Similarity	NPC187149
0.7711	Intermediate Similarity	NPC173149
0.7711	Intermediate Similarity	NPC179015
0.7711	Intermediate Similarity	NPC270312
0.7711	Intermediate Similarity	NPC472651
0.7711	Intermediate Similarity	NPC279768
0.7706	Intermediate Similarity	NPC472665
0.7703	Intermediate Similarity	NPC17681
0.7702	Intermediate Similarity	NPC75310
0.7702	Intermediate Similarity	NPC214541
0.7702	Intermediate Similarity	NPC301233
0.7702	Intermediate Similarity	NPC44675
0.7697	Intermediate Similarity	NPC476858
0.7697	Intermediate Similarity	NPC476857
0.7697	Intermediate Similarity	NPC476856
0.7697	Intermediate Similarity	NPC56358
0.7697	Intermediate Similarity	NPC476860
0.7692	Intermediate Similarity	NPC76657
0.7692	Intermediate Similarity	NPC472584
0.7688	Intermediate Similarity	NPC75906
0.7688	Intermediate Similarity	NPC98028
0.7683	Intermediate Similarity	NPC117986
0.7683	Intermediate Similarity	NPC74749
0.7683	Intermediate Similarity	NPC188649
0.7683	Intermediate Similarity	NPC43971
0.7683	Intermediate Similarity	NPC19554
0.7683	Intermediate Similarity	NPC5079
0.7679	Intermediate Similarity	NPC294512
0.7679	Intermediate Similarity	NPC159232
0.7677	Intermediate Similarity	NPC223415
0.7677	Intermediate Similarity	NPC205071
0.7677	Intermediate Similarity	NPC80635
0.7677	Intermediate Similarity	NPC470741
0.7673	Intermediate Similarity	NPC46551
0.7671	Intermediate Similarity	NPC184391
0.7669	Intermediate Similarity	NPC116639
0.7669	Intermediate Similarity	NPC477403
0.7669	Intermediate Similarity	NPC476930
0.7665	Intermediate Similarity	NPC271235
0.7665	Intermediate Similarity	NPC472652
0.7658	Intermediate Similarity	NPC52106
0.7654	Intermediate Similarity	NPC469485
0.7654	Intermediate Similarity	NPC254163
0.7654	Intermediate Similarity	NPC104736
0.7651	Intermediate Similarity	NPC23387
0.7651	Intermediate Similarity	NPC97740
0.7651	Intermediate Similarity	NPC471544
0.7651	Intermediate Similarity	NPC473344
0.7651	Intermediate Similarity	NPC121995
0.7647	Intermediate Similarity	NPC167340
0.7643	Intermediate Similarity	NPC213482
0.7643	Intermediate Similarity	NPC316535
0.7636	Intermediate Similarity	NPC288602
0.7636	Intermediate Similarity	NPC134254
0.7636	Intermediate Similarity	NPC476197
0.7636	Intermediate Similarity	NPC283209
0.7636	Intermediate Similarity	NPC234660
0.7636	Intermediate Similarity	NPC51568
0.7636	Intermediate Similarity	NPC88841
0.7636	Intermediate Similarity	NPC39986
0.7636	Intermediate Similarity	NPC302369
0.7636	Intermediate Similarity	NPC14822
0.7633	Intermediate Similarity	NPC469848
0.7628	Intermediate Similarity	NPC137295
0.7625	Intermediate Similarity	NPC240214
0.7625	Intermediate Similarity	NPC191104
0.7622	Intermediate Similarity	NPC287559
0.7622	Intermediate Similarity	NPC1848
0.7622	Intermediate Similarity	NPC50430
0.7622	Intermediate Similarity	NPC335761
0.7619	Intermediate Similarity	NPC470995
0.7619	Intermediate Similarity	NPC476459
0.761	Intermediate Similarity	NPC329180
0.7607	Intermediate Similarity	NPC81405
0.7607	Intermediate Similarity	NPC173544
0.7607	Intermediate Similarity	NPC299038
0.7607	Intermediate Similarity	NPC261597
0.7607	Intermediate Similarity	NPC36655
0.7607	Intermediate Similarity	NPC304692
0.7607	Intermediate Similarity	NPC472283
0.7606	Intermediate Similarity	NPC244862
0.7606	Intermediate Similarity	NPC67345
0.7605	Intermediate Similarity	NPC329215
0.7605	Intermediate Similarity	NPC475953
0.7605	Intermediate Similarity	NPC204088
0.7605	Intermediate Similarity	NPC476853
0.7605	Intermediate Similarity	NPC259007
0.7603	Intermediate Similarity	NPC52035
0.76	Intermediate Similarity	NPC470859
0.7595	Intermediate Similarity	NPC224418
0.759	Intermediate Similarity	NPC472664
0.7586	Intermediate Similarity	NPC188377
0.7586	Intermediate Similarity	NPC65735
0.7578	Intermediate Similarity	NPC44577
0.7578	Intermediate Similarity	NPC475777
0.7578	Intermediate Similarity	NPC295650
0.7576	Intermediate Similarity	NPC197596
0.7576	Intermediate Similarity	NPC68848
0.7576	Intermediate Similarity	NPC220582
0.7576	Intermediate Similarity	NPC303210

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC474317 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	268
0.1-0.2	921
0.2-0.3	2018
0.3-0.4	2751
0.4-0.5	2015
0.5-0.6	895
0.6-0.7	267
0.7-0.8	25
0.8-0.85	1
0.85-0.9	0
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.8063	Intermediate Similarity	NPD5537	Clinical (unspecified phase)
0.758	Intermediate Similarity	NPD6799	Approved
0.7485	Intermediate Similarity	NPD7096	Clinical (unspecified phase)
0.7455	Intermediate Similarity	NPD7075	Discontinued
0.7438	Intermediate Similarity	NPD920	Approved
0.7423	Intermediate Similarity	NPD6801	Discontinued
0.741	Intermediate Similarity	NPD919	Approved
0.7407	Intermediate Similarity	NPD6599	Discontinued
0.7337	Intermediate Similarity	NPD3926	Phase 2
0.7333	Intermediate Similarity	NPD3817	Phase 2
0.7333	Intermediate Similarity	NPD5402	Approved
0.733	Intermediate Similarity	NPD8434	Phase 2
0.7329	Intermediate Similarity	NPD5403	Approved
0.7325	Intermediate Similarity	NPD1243	Approved
0.7312	Intermediate Similarity	NPD5401	Approved
0.7312	Intermediate Similarity	NPD642	Clinical (unspecified phase)
0.7308	Intermediate Similarity	NPD1471	Phase 3
0.7244	Intermediate Similarity	NPD2796	Approved
0.7219	Intermediate Similarity	NPD6832	Phase 2
0.7219	Intermediate Similarity	NPD1247	Approved
0.7188	Intermediate Similarity	NPD643	Clinical (unspecified phase)
0.7186	Intermediate Similarity	NPD3882	Suspended
0.716	Intermediate Similarity	NPD5494	Approved
0.7125	Intermediate Similarity	NPD3887	Approved
0.7063	Intermediate Similarity	NPD4628	Phase 3
0.7011	Intermediate Similarity	NPD7893	Clinical (unspecified phase)
0.6994	Remote Similarity	NPD4378	Clinical (unspecified phase)
0.6994	Remote Similarity	NPD2403	Approved
0.6981	Remote Similarity	NPD2343	Clinical (unspecified phase)
0.6981	Remote Similarity	NPD2344	Approved
0.6977	Remote Similarity	NPD6808	Phase 2
0.6974	Remote Similarity	NPD1019	Discontinued
0.6964	Remote Similarity	NPD7819	Suspended
0.6949	Remote Similarity	NPD6764	Approved
0.6949	Remote Similarity	NPD6765	Approved
0.6946	Remote Similarity	NPD7411	Suspended
0.6941	Remote Similarity	NPD4381	Clinical (unspecified phase)
0.6941	Remote Similarity	NPD3749	Approved
0.6914	Remote Similarity	NPD3751	Discontinued
0.6914	Remote Similarity	NPD3818	Discontinued
0.6909	Remote Similarity	NPD6980	Clinical (unspecified phase)
0.689	Remote Similarity	NPD2533	Approved
0.689	Remote Similarity	NPD2534	Approved
0.689	Remote Similarity	NPD2532	Approved
0.6886	Remote Similarity	NPD4380	Phase 2
0.6882	Remote Similarity	NPD4868	Clinical (unspecified phase)
0.6879	Remote Similarity	NPD447	Suspended
0.6879	Remote Similarity	NPD1899	Clinical (unspecified phase)
0.6875	Remote Similarity	NPD2353	Approved
0.6875	Remote Similarity	NPD7804	Clinical (unspecified phase)
0.6875	Remote Similarity	NPD2355	Clinical (unspecified phase)
0.6864	Remote Similarity	NPD5760	Phase 2
0.6864	Remote Similarity	NPD5761	Phase 2
0.6855	Remote Similarity	NPD2799	Discontinued
0.6854	Remote Similarity	NPD6559	Discontinued
0.6852	Remote Similarity	NPD1878	Clinical (unspecified phase)
0.6839	Remote Similarity	NPD2598	Clinical (unspecified phase)
0.6832	Remote Similarity	NPD1549	Phase 2
0.6826	Remote Similarity	NPD3226	Approved
0.6821	Remote Similarity	NPD9717	Approved
0.6816	Remote Similarity	NPD4338	Clinical (unspecified phase)
0.6815	Remote Similarity	NPD7966	Clinical (unspecified phase)
0.681	Remote Similarity	NPD2309	Approved
0.6805	Remote Similarity	NPD1934	Approved
0.68	Remote Similarity	NPD6166	Phase 2
0.68	Remote Similarity	NPD7784	Clinical (unspecified phase)
0.68	Remote Similarity	NPD6167	Clinical (unspecified phase)
0.68	Remote Similarity	NPD6168	Clinical (unspecified phase)
0.6797	Remote Similarity	NPD1049	Clinical (unspecified phase)
0.6796	Remote Similarity	NPD6785	Approved
0.6796	Remote Similarity	NPD6784	Approved
0.6795	Remote Similarity	NPD2313	Discontinued
0.6793	Remote Similarity	NPD7879	Clinical (unspecified phase)
0.679	Remote Similarity	NPD2800	Approved
0.679	Remote Similarity	NPD7421	Clinical (unspecified phase)
0.6782	Remote Similarity	NPD3787	Discontinued
0.6772	Remote Similarity	NPD6355	Discontinued
0.6772	Remote Similarity	NPD1933	Approved
0.677	Remote Similarity	NPD1550	Clinical (unspecified phase)
0.677	Remote Similarity	NPD1552	Clinical (unspecified phase)
0.6765	Remote Similarity	NPD2393	Clinical (unspecified phase)
0.6755	Remote Similarity	NPD1547	Clinical (unspecified phase)
0.6755	Remote Similarity	NPD8285	Discontinued
0.675	Remote Similarity	NPD7033	Discontinued
0.6733	Remote Similarity	NPD17	Approved
0.6728	Remote Similarity	NPD970	Clinical (unspecified phase)
0.6725	Remote Similarity	NPD8443	Clinical (unspecified phase)
0.6708	Remote Similarity	NPD1551	Phase 2
0.6707	Remote Similarity	NPD2354	Approved
0.6706	Remote Similarity	NPD6279	Approved
0.6706	Remote Similarity	NPD6280	Approved
0.6704	Remote Similarity	NPD6797	Phase 2
0.6704	Remote Similarity	NPD7993	Clinical (unspecified phase)
0.6687	Remote Similarity	NPD7410	Clinical (unspecified phase)
0.6667	Remote Similarity	NPD6006	Clinical (unspecified phase)
0.6667	Remote Similarity	NPD6002	Phase 3
0.6667	Remote Similarity	NPD2801	Approved
0.6667	Remote Similarity	NPD2067	Discontinued
0.6667	Remote Similarity	NPD7473	Discontinued
0.6667	Remote Similarity	NPD6003	Clinical (unspecified phase)
0.6667	Remote Similarity	NPD7251	Discontinued
0.6667	Remote Similarity	NPD6005	Phase 3
0.6667	Remote Similarity	NPD6004	Phase 3
0.6647	Remote Similarity	NPD7314	Clinical (unspecified phase)
0.6646	Remote Similarity	NPD6233	Phase 2
0.6646	Remote Similarity	NPD1510	Phase 2
0.6646	Remote Similarity	NPD3748	Approved
0.6645	Remote Similarity	NPD5647	Approved
0.663	Remote Similarity	NPD7808	Phase 3
0.6628	Remote Similarity	NPD5353	Approved
0.6612	Remote Similarity	NPD8055	Clinical (unspecified phase)
0.6611	Remote Similarity	NPD5953	Discontinued
0.661	Remote Similarity	NPD7852	Clinical (unspecified phase)
0.6605	Remote Similarity	NPD2935	Discontinued
0.6604	Remote Similarity	NPD4307	Phase 2
0.6604	Remote Similarity	NPD1240	Approved
0.6601	Remote Similarity	NPD1608	Approved
0.6591	Remote Similarity	NPD6232	Discontinued
0.6585	Remote Similarity	NPD2654	Approved
0.6582	Remote Similarity	NPD6798	Discontinued
0.6582	Remote Similarity	NPD6859	Clinical (unspecified phase)
0.6581	Remote Similarity	NPD1203	Approved
0.6581	Remote Similarity	NPD3266	Approved
0.6581	Remote Similarity	NPD3267	Approved
0.6564	Remote Similarity	NPD2346	Discontinued
0.6562	Remote Similarity	NPD230	Phase 1
0.6556	Remote Similarity	NPD7074	Phase 3
0.6554	Remote Similarity	NPD7184	Clinical (unspecified phase)
0.6548	Remote Similarity	NPD1512	Approved
0.6538	Remote Similarity	NPD2798	Approved
0.6536	Remote Similarity	NPD2163	Approved
0.6533	Remote Similarity	NPD9092	Discovery
0.6527	Remote Similarity	NPD6143	Clinical (unspecified phase)
0.6522	Remote Similarity	NPD1607	Approved
0.6516	Remote Similarity	NPD1876	Approved
0.6507	Remote Similarity	NPD2181	Clinical (unspecified phase)
0.6506	Remote Similarity	NPD6190	Approved
0.6503	Remote Similarity	NPD8312	Approved
0.6503	Remote Similarity	NPD8313	Approved
0.65	Remote Similarity	NPD7054	Approved
0.6494	Remote Similarity	NPD3972	Approved
0.6494	Remote Similarity	NPD4965	Approved
0.6494	Remote Similarity	NPD4967	Phase 2
0.6494	Remote Similarity	NPD4966	Approved
0.6494	Remote Similarity	NPD7768	Phase 2
0.649	Remote Similarity	NPD9545	Approved
0.6488	Remote Similarity	NPD3146	Approved
0.6488	Remote Similarity	NPD3688	Clinical (unspecified phase)
0.6488	Remote Similarity	NPD7004	Clinical (unspecified phase)
0.6486	Remote Similarity	NPD8150	Discontinued
0.6486	Remote Similarity	NPD1241	Discontinued
0.6484	Remote Similarity	NPD7685	Pre-registration
0.6478	Remote Similarity	NPD3268	Approved
0.6478	Remote Similarity	NPD411	Approved
0.6474	Remote Similarity	NPD7972	Discontinued
0.6464	Remote Similarity	NPD7472	Approved
0.6453	Remote Similarity	NPD6385	Approved
0.6453	Remote Similarity	NPD6386	Approved
0.6446	Remote Similarity	NPD3750	Approved
0.6446	Remote Similarity	NPD6398	Clinical (unspecified phase)
0.6443	Remote Similarity	NPD7435	Discontinued
0.6443	Remote Similarity	NPD690	Clinical (unspecified phase)
0.6442	Remote Similarity	NPD4308	Phase 3
0.6441	Remote Similarity	NPD6959	Discontinued
0.6438	Remote Similarity	NPD4062	Phase 3
0.6429	Remote Similarity	NPD1511	Approved
0.6425	Remote Similarity	NPD4575	Clinical (unspecified phase)
0.642	Remote Similarity	NPD6234	Discontinued
0.642	Remote Similarity	NPD6651	Approved
0.6409	Remote Similarity	NPD7286	Phase 2
0.6409	Remote Similarity	NPD5844	Phase 1
0.6404	Remote Similarity	NPD5668	Clinical (unspecified phase)
0.6387	Remote Similarity	NPD8090	Clinical (unspecified phase)
0.6386	Remote Similarity	NPD8404	Phase 2
0.638	Remote Similarity	NPD7097	Phase 1
0.6375	Remote Similarity	NPD3764	Approved
0.6375	Remote Similarity	NPD1699	Clinical (unspecified phase)
0.6374	Remote Similarity	NPD957	Approved
0.637	Remote Similarity	NPD2182	Approved
0.6369	Remote Similarity	NPD5242	Approved
0.6369	Remote Similarity	NPD2797	Approved
0.6358	Remote Similarity	NPD5890	Approved
0.6358	Remote Similarity	NPD5889	Approved
0.6358	Remote Similarity	NPD9493	Approved
0.6354	Remote Similarity	NPD7799	Discontinued
0.6353	Remote Similarity	NPD5049	Phase 3
0.6348	Remote Similarity	NPD7199	Phase 2
0.6343	Remote Similarity	NPD2296	Approved
0.634	Remote Similarity	NPD5585	Approved
0.6329	Remote Similarity	NPD6007	Clinical (unspecified phase)
0.6325	Remote Similarity	NPD2424	Discontinued
0.6325	Remote Similarity	NPD5958	Discontinued
0.6325	Remote Similarity	NPD2897	Discontinued
0.6322	Remote Similarity	NPD37	Approved
0.6319	Remote Similarity	NPD6653	Approved
0.6313	Remote Similarity	NPD5711	Approved
0.6313	Remote Similarity	NPD5710	Approved
0.6303	Remote Similarity	NPD2438	Suspended
0.6301	Remote Similarity	NPD6585	Discontinued
0.6301	Remote Similarity	NPD1358	Approved

Structure

NPC474317 OpenBabel07101719142D 32 36 0 0 1 0 0 0 0 0999 V2000 2.0642 -3.0680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5026 -2.8934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4738 -0.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8150 1.5558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8057 -5.0071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4143 -1.4384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8017 -1.6342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2656 0.4061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8017 1.6342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7330 -2.5655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3064 -1.4488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6321 -1.7350 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2656 -0.4061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9691 -0.8122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9691 0.8122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1132 1.1590 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1132 -1.1590 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4143 1.4384 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7245 0.4183 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.5301 -3.7523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5046 -0.1923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6321 1.7350 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7245 -0.4183 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.9326 -2.0036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2546 -3.3340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1080 -0.7718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5301 -4.5889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4871 -1.7137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1693 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6990 0.5963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2801 2.2641 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 10 2 0 0 0 0 2 10 1 0 0 0 0 3 11 1 0 0 0 0 5 27 1 0 0 0 0 6 12 1 0 0 0 0 6 14 1 0 0 0 0 7 12 1 0 0 0 0 7 17 1 0 0 0 0 8 13 1 0 0 0 0 8 15 2 0 0 0 0 9 22 1 0 0 0 0 11 24 2 0 0 0 0 11 28 1 0 0 0 0 12 10 1 6 0 0 0 13 14 2 0 0 0 0 13 20 1 0 0 0 0 14 29 1 0 0 0 0 15 18 1 0 0 0 0 15 29 1 0 0 0 0 16 9 1 6 0 0 0 16 19 1 0 0 0 0 16 30 1 0 0 0 0 17 23 1 1 0 0 0 17 28 1 0 0 0 0 18 22 1 6 0 0 0 18 31 1 0 0 0 0 19 23 1 1 0 0 0 19 32 1 0 0 0 0 20 25 2 0 0 0 0 20 27 1 0 0 0 0 21 26 2 0 0 0 0 21 30 1 0 0 0 0 22 4 1 6 0 0 0 22 31 1 0 0 0 0 23 21 1 1 0 0 0 23 32 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	44583998
ChEMBL	CHEMBL465177
ZINC

Physicochemical Properties

Molecular Weight:	446.16
ALogP:	0.4661
MLogP:	3
XLogP:	1.831
# Rotatable Bonds:	9
Polar Surface Area:	117.1
# H-Bond Aceptor:	8
# H-Bond Donor:	0
# Rings:	5
# Heavy Atoms:	32

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