NPASS Natural Product

Natural Product: NPC470330

Natural Product ID:	NPC470330
Common Name:	9Alpha-O-(E-P-Hydroxycinnamoyl)-1Alpha,6Alpha-11-Trihydroxy-Trans-Eudesm-3-En-6-O-Beta-D-Glucopyranoside
IUPAC Name:	(E)-1-[(1S,3R,4R,4aS,8S,8aS)-8-hydroxy-3-(2-hydroxypropan-2-yl)-5,8a-dimethyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,4,4a,7,8-hexahydro-1H-naphthalen-1-yl]-4-(4-hydroxyphenyl)but-3-en-2-one
Synonyms:
Molecular Formula:	C31H44O10
Standard InCHIKey:	NQZMSBJCERRKFD-ZMTLGYQDSA-N
Standard InCHI:	InChI=1S/C31H44O10/c1-16-5-12-23(35)31(4)18(13-20(34)11-8-17-6-9-19(33)10-7-17)14-21(30(2,3)39)28(24(16)31)41-29-27(38)26(37)25(36)22(15-32)40-29/h5-11,18,21-29,32-33,35-39H,12-15H2,1-4H3/b11-8+/t18-,21-,22-,23+,24-,25-,26+,27-,28+,29+,31-/m1/s1
Canonical SMILES:	OC[C@H]1O[C@@H](O[C@H]2[C@@H](C[C@H]([C@]3([C@@H]2C(=CC[C@@H]3O)C)C)CC(=O)/C=C/c2ccc(cc2)O)C(O)(C)C)[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
NPO23708	Aster koraiensis	Species	Asteraceae	Eukaryota	Aerial parts	Euidang-myun, Gongju city, Chungchengnam-do, Republic of Korea	2007-AUG	PMID[22264115]

Biological Activity

Activity Type	# Activity
IC50	2

Activity Type	# Activity
Individual Protein	1
Others	1

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT68	Individual Protein	Aldose reductase	Rattus norvegicus	IC50	>	30000	nM	22858097
NPT2	Others	Unspecified		IC50	>	50000	nM	DrugMatrix in vitro pharmacology data

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 NPC470330 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	229
0.1-0.2	896
0.2-0.3	1742
0.3-0.4	2827
0.4-0.5	5829
0.5-0.6	6624
0.6-0.7	7572
0.7-0.8	4923
0.8-0.85	224
0.85-0.9	22
0.9-0.95	1
0.95-1	0

Similarity Score	Similarity Level	Natural Product ID
0.9028	High Similarity	NPC204644
0.8859	High Similarity	NPC267469
0.8859	High Similarity	NPC87630
0.8859	High Similarity	NPC179128
0.8859	High Similarity	NPC116292
0.8844	High Similarity	NPC320734
0.879	High Similarity	NPC469419
0.8774	High Similarity	NPC477627
0.8733	High Similarity	NPC162569
0.8733	High Similarity	NPC35160
0.8693	High Similarity	NPC474501
0.8671	High Similarity	NPC469396
0.8671	High Similarity	NPC469459
0.8671	High Similarity	NPC149002
0.8671	High Similarity	NPC469458
0.8671	High Similarity	NPC88176
0.8591	High Similarity	NPC208293
0.8581	High Similarity	NPC100242
0.8535	High Similarity	NPC293568
0.8535	High Similarity	NPC117943
0.8528	High Similarity	NPC475613
0.8506	High Similarity	NPC205172
0.8506	High Similarity	NPC209393
0.8467	Intermediate Similarity	NPC212808
0.8457	Intermediate Similarity	NPC148185
0.8457	Intermediate Similarity	NPC477617
0.8456	Intermediate Similarity	NPC296659
0.8456	Intermediate Similarity	NPC202391
0.8452	Intermediate Similarity	NPC3449
0.8451	Intermediate Similarity	NPC469705
0.8451	Intermediate Similarity	NPC17968
0.8451	Intermediate Similarity	NPC470122
0.8446	Intermediate Similarity	NPC469623
0.8446	Intermediate Similarity	NPC148080
0.8442	Intermediate Similarity	NPC257847
0.8421	Intermediate Similarity	NPC473719
0.8408	Intermediate Similarity	NPC314795
0.8408	Intermediate Similarity	NPC53139
0.8403	Intermediate Similarity	NPC164172
0.8397	Intermediate Similarity	NPC10945
0.8397	Intermediate Similarity	NPC148323
0.8397	Intermediate Similarity	NPC283480
0.8392	Intermediate Similarity	NPC476407
0.8378	Intermediate Similarity	NPC172311
0.8375	Intermediate Similarity	NPC470735
0.8375	Intermediate Similarity	NPC329647
0.8375	Intermediate Similarity	NPC265600
0.8366	Intermediate Similarity	NPC117346
0.8366	Intermediate Similarity	NPC240592
0.8366	Intermediate Similarity	NPC12006
0.8364	Intermediate Similarity	NPC469418
0.8356	Intermediate Similarity	NPC470733
0.8344	Intermediate Similarity	NPC475539
0.8344	Intermediate Similarity	NPC208651
0.8344	Intermediate Similarity	NPC143246
0.8344	Intermediate Similarity	NPC474268
0.8344	Intermediate Similarity	NPC119773
0.8344	Intermediate Similarity	NPC206641
0.8333	Intermediate Similarity	NPC174599
0.8333	Intermediate Similarity	NPC471066
0.8333	Intermediate Similarity	NPC82190
0.8333	Intermediate Similarity	NPC192219
0.8333	Intermediate Similarity	NPC471095
0.8333	Intermediate Similarity	NPC25491
0.8313	Intermediate Similarity	NPC471861
0.8312	Intermediate Similarity	NPC77310
0.831	Intermediate Similarity	NPC158673
0.8301	Intermediate Similarity	NPC96599
0.8293	Intermediate Similarity	NPC471871
0.8278	Intermediate Similarity	NPC475528
0.8267	Intermediate Similarity	NPC478250
0.8261	Intermediate Similarity	NPC478022
0.8261	Intermediate Similarity	NPC478020
0.8255	Intermediate Similarity	NPC3218
0.8255	Intermediate Similarity	NPC27518
0.8255	Intermediate Similarity	NPC304110
0.8253	Intermediate Similarity	NPC260300
0.8253	Intermediate Similarity	NPC80360
0.825	Intermediate Similarity	NPC187934
0.825	Intermediate Similarity	NPC97637
0.8247	Intermediate Similarity	NPC327962
0.8247	Intermediate Similarity	NPC247219
0.8243	Intermediate Similarity	NPC474640
0.8243	Intermediate Similarity	NPC475757
0.8235	Intermediate Similarity	NPC325032
0.8235	Intermediate Similarity	NPC477483
0.8235	Intermediate Similarity	NPC472339
0.8232	Intermediate Similarity	NPC32723
0.8232	Intermediate Similarity	NPC469776
0.8232	Intermediate Similarity	NPC100925
0.8232	Intermediate Similarity	NPC469772
0.8232	Intermediate Similarity	NPC295941
0.8232	Intermediate Similarity	NPC135334
0.8232	Intermediate Similarity	NPC469774
0.8232	Intermediate Similarity	NPC469775
0.8232	Intermediate Similarity	NPC469773
0.8232	Intermediate Similarity	NPC469777
0.8232	Intermediate Similarity	NPC469778
0.8224	Intermediate Similarity	NPC170055
0.8221	Intermediate Similarity	NPC471870
0.8219	Intermediate Similarity	NPC169398
0.8217	Intermediate Similarity	NPC472807
0.8217	Intermediate Similarity	NPC172920
0.8217	Intermediate Similarity	NPC156624
0.8212	Intermediate Similarity	NPC96447
0.8212	Intermediate Similarity	NPC63304
0.8204	Intermediate Similarity	NPC195114
0.8199	Intermediate Similarity	NPC100420
0.8199	Intermediate Similarity	NPC120012
0.8199	Intermediate Similarity	NPC161151
0.8194	Intermediate Similarity	NPC289021
0.8194	Intermediate Similarity	NPC158546
0.8194	Intermediate Similarity	NPC474620
0.8193	Intermediate Similarity	NPC475054
0.8188	Intermediate Similarity	NPC164743
0.8182	Intermediate Similarity	NPC94781
0.8182	Intermediate Similarity	NPC124828
0.8182	Intermediate Similarity	NPC195972
0.8176	Intermediate Similarity	NPC101686
0.8176	Intermediate Similarity	NPC216940
0.8176	Intermediate Similarity	NPC198621
0.8176	Intermediate Similarity	NPC302583
0.8176	Intermediate Similarity	NPC65262
0.8176	Intermediate Similarity	NPC22676
0.8176	Intermediate Similarity	NPC469696
0.8176	Intermediate Similarity	NPC84789
0.8176	Intermediate Similarity	NPC310252
0.8176	Intermediate Similarity	NPC475482
0.8176	Intermediate Similarity	NPC469364
0.8176	Intermediate Similarity	NPC100558
0.817	Intermediate Similarity	NPC472937
0.817	Intermediate Similarity	NPC472938
0.817	Intermediate Similarity	NPC285122
0.817	Intermediate Similarity	NPC472936
0.8163	Intermediate Similarity	NPC103398
0.8163	Intermediate Similarity	NPC158325
0.8163	Intermediate Similarity	NPC180171
0.8158	Intermediate Similarity	NPC300684
0.8158	Intermediate Similarity	NPC218866
0.8158	Intermediate Similarity	NPC84568
0.8158	Intermediate Similarity	NPC48130
0.8155	Intermediate Similarity	NPC188217
0.8153	Intermediate Similarity	NPC469417
0.8151	Intermediate Similarity	NPC475346
0.8151	Intermediate Similarity	NPC475627
0.8151	Intermediate Similarity	NPC18982
0.8151	Intermediate Similarity	NPC475457
0.8148	Intermediate Similarity	NPC475979
0.8148	Intermediate Similarity	NPC478026
0.8148	Intermediate Similarity	NPC294722
0.8138	Intermediate Similarity	NPC235294
0.8138	Intermediate Similarity	NPC46137
0.8133	Intermediate Similarity	NPC469438
0.8129	Intermediate Similarity	NPC44378
0.8129	Intermediate Similarity	NPC35097
0.8129	Intermediate Similarity	NPC472939
0.8129	Intermediate Similarity	NPC280753
0.8125	Intermediate Similarity	NPC208676
0.8125	Intermediate Similarity	NPC269668
0.8125	Intermediate Similarity	NPC469549
0.8125	Intermediate Similarity	NPC130489
0.8121	Intermediate Similarity	NPC13989
0.8117	Intermediate Similarity	NPC473138
0.8117	Intermediate Similarity	NPC469448
0.8117	Intermediate Similarity	NPC28776
0.8113	Intermediate Similarity	NPC104275
0.8113	Intermediate Similarity	NPC4747
0.811	Intermediate Similarity	NPC476017
0.8108	Intermediate Similarity	NPC249817
0.8108	Intermediate Similarity	NPC471345
0.8108	Intermediate Similarity	NPC472132
0.8105	Intermediate Similarity	NPC474044
0.8101	Intermediate Similarity	NPC475484
0.8099	Intermediate Similarity	NPC123704
0.8095	Intermediate Similarity	NPC194970
0.8092	Intermediate Similarity	NPC184464
0.8092	Intermediate Similarity	NPC251062
0.8089	Intermediate Similarity	NPC87403
0.8089	Intermediate Similarity	NPC471874
0.8086	Intermediate Similarity	NPC109990
0.8084	Intermediate Similarity	NPC469397
0.8079	Intermediate Similarity	NPC296643
0.8079	Intermediate Similarity	NPC477595
0.8077	Intermediate Similarity	NPC119252
0.8077	Intermediate Similarity	NPC473966
0.8075	Intermediate Similarity	NPC471493
0.8071	Intermediate Similarity	NPC469686
0.8069	Intermediate Similarity	NPC305162
0.8065	Intermediate Similarity	NPC161955
0.8065	Intermediate Similarity	NPC478242
0.8061	Intermediate Similarity	NPC475058
0.8061	Intermediate Similarity	NPC478021
0.8061	Intermediate Similarity	NPC470580
0.8054	Intermediate Similarity	NPC471152
0.8052	Intermediate Similarity	NPC471970
0.8049	Intermediate Similarity	NPC471860
0.8047	Intermediate Similarity	NPC102367
0.8042	Intermediate Similarity	NPC252114
0.8041	Intermediate Similarity	NPC123988
0.8041	Intermediate Similarity	NPC173569

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC470330 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	251
0.1-0.2	759
0.2-0.3	1389
0.3-0.4	2568
0.4-0.5	2237
0.5-0.6	1310
0.6-0.7	544
0.7-0.8	102
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
0.8	Intermediate Similarity	NPD7266	Discontinued
0.7888	Intermediate Similarity	NPD4381	Clinical (unspecified phase)
0.7843	Intermediate Similarity	NPD8166	Discontinued
0.7778	Intermediate Similarity	NPD8055	Clinical (unspecified phase)
0.7679	Intermediate Similarity	NPD7804	Clinical (unspecified phase)
0.7673	Intermediate Similarity	NPD7458	Discontinued
0.7657	Intermediate Similarity	NPD7879	Clinical (unspecified phase)
0.7633	Intermediate Similarity	NPD7074	Phase 3
0.7625	Intermediate Similarity	NPD4380	Phase 2
0.7619	Intermediate Similarity	NPD7228	Approved
0.7613	Intermediate Similarity	NPD4628	Phase 3
0.7574	Intermediate Similarity	NPD7054	Approved
0.7564	Intermediate Similarity	NPD6190	Approved
0.7558	Intermediate Similarity	NPD8312	Approved
0.7558	Intermediate Similarity	NPD8313	Approved
0.7544	Intermediate Similarity	NPD7685	Pre-registration
0.7529	Intermediate Similarity	NPD7472	Approved
0.7515	Intermediate Similarity	NPD7799	Discontinued
0.7485	Intermediate Similarity	NPD8455	Phase 2
0.7442	Intermediate Similarity	NPD7251	Discontinued
0.7442	Intermediate Similarity	NPD6559	Discontinued
0.7431	Intermediate Similarity	NPD2932	Approved
0.7429	Intermediate Similarity	NPD8150	Discontinued
0.7423	Intermediate Similarity	NPD37	Approved
0.7417	Intermediate Similarity	NPD6663	Approved
0.7412	Intermediate Similarity	NPD3818	Discontinued
0.741	Intermediate Similarity	NPD6234	Discontinued
0.7399	Intermediate Similarity	NPD7808	Phase 3
0.7394	Intermediate Similarity	NPD4966	Approved
0.7394	Intermediate Similarity	NPD4967	Phase 2
0.7394	Intermediate Similarity	NPD4965	Approved
0.7389	Intermediate Similarity	NPD6398	Clinical (unspecified phase)
0.7384	Intermediate Similarity	NPD6797	Phase 2
0.7383	Intermediate Similarity	NPD5736	Approved
0.7374	Intermediate Similarity	NPD6534	Approved
0.7374	Intermediate Similarity	NPD6535	Approved
0.7368	Intermediate Similarity	NPD8470	Clinical (unspecified phase)
0.7355	Intermediate Similarity	NPD6099	Approved
0.7355	Intermediate Similarity	NPD6100	Approved
0.7349	Intermediate Similarity	NPD7075	Discontinued
0.7348	Intermediate Similarity	NPD7700	Phase 2
0.7348	Intermediate Similarity	NPD7699	Phase 2
0.733	Intermediate Similarity	NPD8434	Phase 2
0.7321	Intermediate Similarity	NPD8127	Discontinued
0.731	Intermediate Similarity	NPD3751	Discontinued
0.731	Intermediate Similarity	NPD3019	Approved
0.7301	Intermediate Similarity	NPD7028	Phase 2
0.7297	Intermediate Similarity	NPD8319	Approved
0.7297	Intermediate Similarity	NPD8320	Phase 1
0.7296	Intermediate Similarity	NPD7236	Approved
0.7268	Intermediate Similarity	NPD6777	Approved
0.7268	Intermediate Similarity	NPD6781	Approved
0.7268	Intermediate Similarity	NPD6779	Approved
0.7268	Intermediate Similarity	NPD6782	Approved
0.7268	Intermediate Similarity	NPD6778	Approved
0.7268	Intermediate Similarity	NPD6780	Approved
0.7268	Intermediate Similarity	NPD6776	Approved
0.7248	Intermediate Similarity	NPD3094	Phase 2
0.7247	Intermediate Similarity	NPD8397	Clinical (unspecified phase)
0.7243	Intermediate Similarity	NPD7435	Discontinued
0.7241	Intermediate Similarity	NPD7240	Approved
0.7229	Intermediate Similarity	NPD8443	Clinical (unspecified phase)
0.7215	Intermediate Similarity	NPD6674	Discontinued
0.7205	Intermediate Similarity	NPD7004	Clinical (unspecified phase)
0.72	Intermediate Similarity	NPD4338	Clinical (unspecified phase)
0.7186	Intermediate Similarity	NPD4868	Clinical (unspecified phase)
0.7178	Intermediate Similarity	NPD7239	Suspended
0.7169	Intermediate Similarity	NPD7819	Suspended
0.7169	Intermediate Similarity	NPD7096	Clinical (unspecified phase)
0.7169	Intermediate Similarity	NPD2393	Clinical (unspecified phase)
0.7168	Intermediate Similarity	NPD5844	Phase 1
0.7151	Intermediate Similarity	NPD7697	Approved
0.7151	Intermediate Similarity	NPD7698	Approved
0.7151	Intermediate Similarity	NPD7696	Phase 3
0.7143	Intermediate Similarity	NPD8368	Discontinued
0.7143	Intermediate Similarity	NPD6143	Clinical (unspecified phase)
0.7143	Intermediate Similarity	NPD7966	Clinical (unspecified phase)
0.7127	Intermediate Similarity	NPD6212	Phase 3
0.7127	Intermediate Similarity	NPD6213	Phase 3
0.7127	Intermediate Similarity	NPD6214	Clinical (unspecified phase)
0.7118	Intermediate Similarity	NPD7199	Phase 2
0.7115	Intermediate Similarity	NPD7097	Phase 1
0.7112	Intermediate Similarity	NPD7871	Phase 2
0.7112	Intermediate Similarity	NPD7870	Phase 2
0.7108	Intermediate Similarity	NPD1934	Approved
0.7097	Intermediate Similarity	NPD6823	Phase 2
0.7095	Intermediate Similarity	NPD3092	Approved
0.7093	Intermediate Similarity	NPD6168	Clinical (unspecified phase)
0.7093	Intermediate Similarity	NPD6167	Clinical (unspecified phase)
0.7093	Intermediate Similarity	NPD6166	Phase 2
0.709	Intermediate Similarity	NPD7701	Phase 2
0.7076	Intermediate Similarity	NPD3787	Discontinued
0.7068	Intermediate Similarity	NPD7801	Approved
0.7052	Intermediate Similarity	NPD7473	Discontinued
0.7037	Intermediate Similarity	NPD7390	Discontinued
0.7022	Intermediate Similarity	NPD8407	Phase 2
0.7018	Intermediate Similarity	NPD6959	Discontinued
0.7016	Intermediate Similarity	NPD7875	Clinical (unspecified phase)
0.7016	Intermediate Similarity	NPD7874	Approved
0.7014	Intermediate Similarity	NPD2629	Approved
0.7013	Intermediate Similarity	NPD3764	Approved
0.7006	Intermediate Similarity	NPD6801	Discontinued
0.7	Intermediate Similarity	NPD7421	Clinical (unspecified phase)
0.6994	Remote Similarity	NPD7422	Clinical (unspecified phase)
0.6988	Remote Similarity	NPD6599	Discontinued
0.6975	Remote Similarity	NPD3300	Phase 2
0.697	Remote Similarity	NPD1653	Approved
0.6963	Remote Similarity	NPD8151	Discontinued
0.6962	Remote Similarity	NPD3299	Clinical (unspecified phase)
0.6962	Remote Similarity	NPD1509	Clinical (unspecified phase)
0.6961	Remote Similarity	NPD8361	Approved
0.6961	Remote Similarity	NPD8360	Approved
0.6959	Remote Similarity	NPD5125	Phase 3
0.6959	Remote Similarity	NPD5126	Approved
0.6957	Remote Similarity	NPD3750	Approved
0.6951	Remote Similarity	NPD6273	Approved
0.6948	Remote Similarity	NPD5952	Clinical (unspecified phase)
0.6946	Remote Similarity	NPD7411	Suspended
0.6944	Remote Similarity	NPD8424	Clinical (unspecified phase)
0.6939	Remote Similarity	NPD3091	Approved
0.6939	Remote Similarity	NPD9545	Approved
0.6937	Remote Similarity	NPD1549	Phase 2
0.6936	Remote Similarity	NPD7184	Clinical (unspecified phase)
0.6918	Remote Similarity	NPD5406	Approved
0.6918	Remote Similarity	NPD5408	Approved
0.6918	Remote Similarity	NPD5404	Approved
0.6918	Remote Similarity	NPD5405	Approved
0.6913	Remote Similarity	NPD3026	Approved
0.6913	Remote Similarity	NPD3023	Approved
0.6909	Remote Similarity	NPD6980	Clinical (unspecified phase)
0.6908	Remote Similarity	NPD1470	Approved
0.6903	Remote Similarity	NPD6410	Clinical (unspecified phase)
0.6899	Remote Similarity	NPD4978	Clinical (unspecified phase)
0.6893	Remote Similarity	NPD7993	Clinical (unspecified phase)
0.6892	Remote Similarity	NPD4196	Clinical (unspecified phase)
0.6892	Remote Similarity	NPD3025	Approved
0.6892	Remote Similarity	NPD3024	Approved
0.6891	Remote Similarity	NPD7782	Clinical (unspecified phase)
0.6891	Remote Similarity	NPD7783	Phase 2
0.689	Remote Similarity	NPD4378	Clinical (unspecified phase)
0.689	Remote Similarity	NPD8389	Clinical (unspecified phase)
0.689	Remote Similarity	NPD7410	Clinical (unspecified phase)
0.6879	Remote Similarity	NPD230	Phase 1
0.6879	Remote Similarity	NPD6232	Discontinued
0.6879	Remote Similarity	NPD6355	Discontinued
0.6875	Remote Similarity	NPD1552	Clinical (unspecified phase)
0.6875	Remote Similarity	NPD1550	Clinical (unspecified phase)
0.6868	Remote Similarity	NPD8435	Approved
0.6867	Remote Similarity	NPD1091	Approved
0.6867	Remote Similarity	NPD1201	Approved
0.6864	Remote Similarity	NPD5761	Phase 2
0.6864	Remote Similarity	NPD5760	Phase 2
0.686	Remote Similarity	NPD5494	Approved
0.6859	Remote Similarity	NPD7584	Approved
0.6855	Remote Similarity	NPD1510	Phase 2
0.6852	Remote Similarity	NPD7003	Approved
0.6845	Remote Similarity	NPD7237	Clinical (unspecified phase)
0.6826	Remote Similarity	NPD5808	Clinical (unspecified phase)
0.6815	Remote Similarity	NPD943	Approved
0.6806	Remote Similarity	NPD7211	Clinical (unspecified phase)
0.68	Remote Similarity	NPD7852	Clinical (unspecified phase)
0.6795	Remote Similarity	NPD6859	Clinical (unspecified phase)
0.6789	Remote Similarity	NPD7680	Approved
0.6784	Remote Similarity	NPD7058	Phase 2
0.6784	Remote Similarity	NPD7057	Phase 3
0.6778	Remote Similarity	NPD5035	Approved
0.6765	Remote Similarity	NPD1465	Phase 2
0.6765	Remote Similarity	NPD2801	Approved
0.676	Remote Similarity	NPD6764	Approved
0.676	Remote Similarity	NPD6765	Approved
0.6753	Remote Similarity	NPD6007	Clinical (unspecified phase)
0.675	Remote Similarity	NPD7033	Discontinued
0.6736	Remote Similarity	NPD7585	Approved
0.6733	Remote Similarity	NPD3095	Discontinued
0.6732	Remote Similarity	NPD8651	Approved
0.6731	Remote Similarity	NPD7095	Approved
0.673	Remote Similarity	NPD1607	Approved
0.673	Remote Similarity	NPD6651	Approved
0.6728	Remote Similarity	NPD2424	Discontinued
0.6728	Remote Similarity	NPD970	Clinical (unspecified phase)
0.6727	Remote Similarity	NPD6799	Approved
0.6726	Remote Similarity	NPD3226	Approved
0.6725	Remote Similarity	NPD5402	Approved
0.6725	Remote Similarity	NPD3817	Phase 2
0.672	Remote Similarity	NPD8486	Clinical (unspecified phase)
0.6719	Remote Similarity	NPD7999	Approved
0.6711	Remote Similarity	NPD3972	Approved
0.6709	Remote Similarity	NPD1240	Approved
0.6709	Remote Similarity	NPD4060	Phase 1
0.6708	Remote Similarity	NPD2935	Discontinued
0.6708	Remote Similarity	NPD2438	Suspended
0.6708	Remote Similarity	NPD2796	Approved
0.6707	Remote Similarity	NPD7910	Clinical (unspecified phase)
0.6707	Remote Similarity	NPD5403	Approved
0.6702	Remote Similarity	NPD7497	Discontinued
0.6701	Remote Similarity	NPD7930	Approved
0.6688	Remote Similarity	NPD3268	Approved
0.6688	Remote Similarity	NPD4907	Clinical (unspecified phase)
0.6688	Remote Similarity	NPD6798	Discontinued
0.6687	Remote Similarity	NPD2534	Approved

Structure

NPC470330 OpenBabel07101718202D 41 44 0 0 1 0 0 0 0 0999 V2000 3.4641 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5000 0.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5000 0.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 3.5000 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 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 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 -3.4641 4.0000 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 -0.0000 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 2.5000 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 2.5000 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 1.0000 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 1.7321 3.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.4641 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 0.8660 1.5000 0.0000 C 0 0 2 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 3.4641 3.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5981 1.5000 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 1.7321 1.0000 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 -0.0000 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 2.5000 0.0000 C 0 0 1 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 -4.3301 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 5.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 4.0000 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 -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 -0.8660 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 16 1 0 0 0 0 2 30 1 0 0 0 0 3 30 1 0 0 0 0 5 12 1 0 0 0 0 5 16 2 0 0 0 0 6 9 1 0 0 0 0 6 17 2 0 0 0 0 7 10 2 0 0 0 0 7 17 1 0 0 0 0 8 11 2 0 0 0 0 8 17 1 0 0 0 0 9 19 2 0 0 0 0 10 19 1 0 0 0 0 11 20 1 0 0 0 0 12 23 1 0 0 0 0 13 18 1 0 0 0 0 13 20 1 0 0 0 0 14 18 1 0 0 0 0 14 21 1 0 0 0 0 15 32 1 0 0 0 0 16 24 1 0 0 0 0 18 31 1 1 0 0 0 19 33 1 0 0 0 0 20 34 2 0 0 0 0 21 28 1 0 0 0 0 21 30 1 6 0 0 0 22 15 1 1 0 0 0 22 25 1 0 0 0 0 22 40 1 0 0 0 0 23 31 1 1 0 0 0 23 35 1 0 0 0 0 24 28 1 0 0 0 0 24 31 1 6 0 0 0 25 26 1 0 0 0 0 25 36 1 6 0 0 0 26 27 1 0 0 0 0 26 37 1 1 0 0 0 27 29 1 0 0 0 0 27 38 1 6 0 0 0 28 41 1 1 0 0 0 29 40 1 0 0 0 0 29 41 1 1 0 0 0 30 39 1 0 0 0 0 31 4 1 1 0 0 0 M END $$$$

External Identifiers

PubChem CID	70681005
ChEMBL	CHEMBL2011644
ZINC

Physicochemical Properties

Molecular Weight:	576.29
ALogP:	-2.2014
MLogP:	3.77
XLogP:	1.571
# Rotatable Bonds:	19
Polar Surface Area:	177.14
# H-Bond Aceptor:	9
# H-Bond Donor:	7
# Rings:	4
# Heavy Atoms:	41

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