NPASS Natural Product

Natural Product: NPC474501

Natural Product ID:	NPC474501
Common Name:	Salpichrolide G
IUPAC Name:
Synonyms:	Salpichrolide G
Molecular Formula:	C26H30O6
Standard InCHIKey:	CVRYGWHDQSLOBX-UMWNNHGQSA-N
Standard InCHI:	InChI=1S/C26H30O6/c1-12(18-11-19-23(30-19)24(29)31-18)14-8-13-5-6-16-15(22(13)17(27)9-14)10-21-26(32-21)7-3-4-20(28)25(16,26)2/h3-4,8-9,12,15-16,18-19,21,23-24,27,29H,5-7,10-11H2,1-2H3/t12-,15+,16-,18-,19-,21-,23-,24+,25-,26-/m0/s1
Canonical SMILES:	O[C@@H]1O[C@@H](C[C@H]2[C@@H]1O2)[C@H](c1cc(O)c2c(c1)CC[C@H]1[C@H]2C[C@@H]2O[C@@]32[C@]1(C)C(=O)C=CC3)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
NPO2276	Salpichroa origanifolia	Species	Solanaceae	Eukaryota				PMID[12027740]

Biological Activity

Activity Type	# Activity
EC50	1
GI50	5
IC50	1
Others	5

Activity Type	# Activity
Cell Line	5
Individual Protein	1
Organism	4
Others	2

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT2	Others	Unspecified		GI50	=	5700	nM	1602301
NPT734	Organism	Musca domestica	Musca domestica	EC50	=	203	ppm	PubChem BioAssay data set
NPT83	Cell Line	MCF7	Homo sapiens	GI50	=	5100	nM	15689169
NPT82	Cell Line	MDA-MB-231	Homo sapiens	GI50	=	14000	nM	24571273
NPT440	Individual Protein	Quinone oxidoreductase	Mus musculus	CD	=	11.6	nM	18183025
NPT396	Cell Line	T47D	Homo sapiens	GI50	=	14000	nM	18268091
NPT2	Others	Unspecified		Ratio	>	3.7		25924023
NPT734	Organism	Musca domestica	Musca domestica	Activity	=	8	day	25427242
NPT734	Organism	Musca domestica	Musca domestica	Activity	=	7.7	day	25517209
NPT134	Cell Line	SK-BR-3	Homo sapiens	GI50	=	3400	nM	26110443
NPT83	Cell Line	MCF7	Homo sapiens	IC50	=	140	nM	15497936
NPT734	Organism	Musca domestica	Musca domestica	Activity	=	100	%	15217279

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 NPC474501 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	263
0.1-0.2	1000
0.2-0.3	1939
0.3-0.4	3433
0.4-0.5	6500
0.5-0.6	6745
0.6-0.7	7522
0.7-0.8	3409
0.8-0.85	68
0.85-0.9	10
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Natural Product ID
0.8912	High Similarity	NPC474250
0.8693	High Similarity	NPC470330
0.8684	High Similarity	NPC474241
0.8608	High Similarity	NPC3449
0.8544	High Similarity	NPC205172
0.8544	High Similarity	NPC209393
0.8528	High Similarity	NPC478022
0.8528	High Similarity	NPC478020
0.85	High Similarity	NPC206641
0.85	High Similarity	NPC208651
0.8491	Intermediate Similarity	NPC192219
0.8491	Intermediate Similarity	NPC82190
0.8491	Intermediate Similarity	NPC174599
0.8452	Intermediate Similarity	NPC285122
0.8447	Intermediate Similarity	NPC53139
0.8438	Intermediate Similarity	NPC148323
0.8438	Intermediate Similarity	NPC283480
0.8405	Intermediate Similarity	NPC97637
0.8405	Intermediate Similarity	NPC187934
0.8387	Intermediate Similarity	NPC170055
0.8377	Intermediate Similarity	NPC100242
0.8375	Intermediate Similarity	NPC314257
0.8323	Intermediate Similarity	NPC218866
0.8323	Intermediate Similarity	NPC478021
0.8323	Intermediate Similarity	NPC84568
0.8323	Intermediate Similarity	NPC48130
0.8323	Intermediate Similarity	NPC300684
0.8313	Intermediate Similarity	NPC474622
0.8313	Intermediate Similarity	NPC474621
0.8303	Intermediate Similarity	NPC470735
0.8303	Intermediate Similarity	NPC329647
0.8293	Intermediate Similarity	NPC278329
0.8293	Intermediate Similarity	NPC146837
0.8274	Intermediate Similarity	NPC294501
0.8261	Intermediate Similarity	NPC266469
0.825	Intermediate Similarity	NPC474534
0.825	Intermediate Similarity	NPC474533
0.8228	Intermediate Similarity	NPC94781
0.8221	Intermediate Similarity	NPC314795
0.8204	Intermediate Similarity	NPC63470
0.8193	Intermediate Similarity	NPC178281
0.8193	Intermediate Similarity	NPC478026
0.8187	Intermediate Similarity	NPC205918
0.8182	Intermediate Similarity	NPC101116
0.8182	Intermediate Similarity	NPC212099
0.8182	Intermediate Similarity	NPC3218
0.8176	Intermediate Similarity	NPC120171
0.8155	Intermediate Similarity	NPC471870
0.8144	Intermediate Similarity	NPC469419
0.8125	Intermediate Similarity	NPC77310
0.8121	Intermediate Similarity	NPC477627
0.8118	Intermediate Similarity	NPC471871
0.8107	Intermediate Similarity	NPC470580
0.8098	Intermediate Similarity	NPC478027
0.8089	Intermediate Similarity	NPC103910
0.8086	Intermediate Similarity	NPC478218
0.8077	Intermediate Similarity	NPC308572
0.8077	Intermediate Similarity	NPC204644
0.807	Intermediate Similarity	NPC470583
0.807	Intermediate Similarity	NPC19056
0.8063	Intermediate Similarity	NPC44378
0.8063	Intermediate Similarity	NPC280753
0.8059	Intermediate Similarity	NPC13989
0.8059	Intermediate Similarity	NPC270027
0.8059	Intermediate Similarity	NPC183441
0.8047	Intermediate Similarity	NPC246274
0.8047	Intermediate Similarity	NPC175477
0.8039	Intermediate Similarity	NPC470733
0.8025	Intermediate Similarity	NPC478220
0.8025	Intermediate Similarity	NPC25491
0.8023	Intermediate Similarity	NPC475246
0.8013	Intermediate Similarity	NPC165612
0.8013	Intermediate Similarity	NPC272907
0.8013	Intermediate Similarity	NPC2681
0.8012	Intermediate Similarity	NPC85368
0.8012	Intermediate Similarity	NPC203751
0.8012	Intermediate Similarity	NPC199357
0.8012	Intermediate Similarity	NPC478222
0.7988	Intermediate Similarity	NPC10945
0.7987	Intermediate Similarity	NPC120536
0.7987	Intermediate Similarity	NPC63918
0.7977	Intermediate Similarity	NPC470581
0.7977	Intermediate Similarity	NPC115447
0.7977	Intermediate Similarity	NPC266513
0.7977	Intermediate Similarity	NPC470582
0.7975	Intermediate Similarity	NPC182921
0.7975	Intermediate Similarity	NPC474824
0.7975	Intermediate Similarity	NPC218870
0.7975	Intermediate Similarity	NPC470408
0.7975	Intermediate Similarity	NPC29932
0.7973	Intermediate Similarity	NPC321822
0.7973	Intermediate Similarity	NPC71610
0.7973	Intermediate Similarity	NPC325294
0.7965	Intermediate Similarity	NPC307754
0.7965	Intermediate Similarity	NPC223735
0.7965	Intermediate Similarity	NPC3718
0.7962	Intermediate Similarity	NPC469520
0.7953	Intermediate Similarity	NPC30432
0.7953	Intermediate Similarity	NPC315619
0.7953	Intermediate Similarity	NPC472620
0.7953	Intermediate Similarity	NPC271385
0.7953	Intermediate Similarity	NPC76128
0.7953	Intermediate Similarity	NPC111536
0.7953	Intermediate Similarity	NPC5029
0.7952	Intermediate Similarity	NPC130489
0.7952	Intermediate Similarity	NPC208676
0.795	Intermediate Similarity	NPC478219
0.7947	Intermediate Similarity	NPC476407
0.7939	Intermediate Similarity	NPC29552
0.7937	Intermediate Similarity	NPC472135
0.7937	Intermediate Similarity	NPC215593
0.7935	Intermediate Similarity	NPC475757
0.7935	Intermediate Similarity	NPC474640
0.7931	Intermediate Similarity	NPC114257
0.7931	Intermediate Similarity	NPC153578
0.7931	Intermediate Similarity	NPC72783
0.7931	Intermediate Similarity	NPC187441
0.7931	Intermediate Similarity	NPC283980
0.7931	Intermediate Similarity	NPC277710
0.7931	Intermediate Similarity	NPC299149
0.7929	Intermediate Similarity	NPC175082
0.7925	Intermediate Similarity	NPC320734
0.7919	Intermediate Similarity	NPC475233
0.7919	Intermediate Similarity	NPC170018
0.7919	Intermediate Similarity	NPC102053
0.7919	Intermediate Similarity	NPC66820
0.7919	Intermediate Similarity	NPC289876
0.7919	Intermediate Similarity	NPC176246
0.7919	Intermediate Similarity	NPC92403
0.7919	Intermediate Similarity	NPC46958
0.7919	Intermediate Similarity	NPC76112
0.7914	Intermediate Similarity	NPC87403
0.7914	Intermediate Similarity	NPC257847
0.7911	Intermediate Similarity	NPC478164
0.7908	Intermediate Similarity	NPC202225
0.7907	Intermediate Similarity	NPC472054
0.7905	Intermediate Similarity	NPC87985
0.7904	Intermediate Similarity	NPC316457
0.7901	Intermediate Similarity	NPC473966
0.7898	Intermediate Similarity	NPC148080
0.7898	Intermediate Similarity	NPC469623
0.7888	Intermediate Similarity	NPC142846
0.7886	Intermediate Similarity	NPC475161
0.7886	Intermediate Similarity	NPC477860
0.7886	Intermediate Similarity	NPC315221
0.7881	Intermediate Similarity	NPC472793
0.7879	Intermediate Similarity	NPC478223
0.7879	Intermediate Similarity	NPC474861
0.7875	Intermediate Similarity	NPC472936
0.7875	Intermediate Similarity	NPC474991
0.7875	Intermediate Similarity	NPC472938
0.7875	Intermediate Similarity	NPC136878
0.7875	Intermediate Similarity	NPC472937
0.7874	Intermediate Similarity	NPC83331
0.7874	Intermediate Similarity	NPC469418
0.7866	Intermediate Similarity	NPC60084
0.7862	Intermediate Similarity	NPC126707
0.7861	Intermediate Similarity	NPC68381
0.7861	Intermediate Similarity	NPC470667
0.7861	Intermediate Similarity	NPC294149
0.7861	Intermediate Similarity	NPC70862
0.7857	Intermediate Similarity	NPC471873
0.7857	Intermediate Similarity	NPC216752
0.7857	Intermediate Similarity	NPC279463
0.7852	Intermediate Similarity	NPC43000
0.7852	Intermediate Similarity	NPC100414
0.7848	Intermediate Similarity	NPC85310
0.7844	Intermediate Similarity	NPC472618
0.7843	Intermediate Similarity	NPC49742
0.7841	Intermediate Similarity	NPC478001
0.7841	Intermediate Similarity	NPC313452
0.784	Intermediate Similarity	NPC247219
0.784	Intermediate Similarity	NPC474310
0.784	Intermediate Similarity	NPC12006
0.7838	Intermediate Similarity	NPC181334
0.7836	Intermediate Similarity	NPC222455
0.7836	Intermediate Similarity	NPC472619
0.7834	Intermediate Similarity	NPC471853
0.7834	Intermediate Similarity	NPC472801
0.7834	Intermediate Similarity	NPC304110
0.7834	Intermediate Similarity	NPC27518
0.7831	Intermediate Similarity	NPC177742
0.7829	Intermediate Similarity	NPC473047
0.7829	Intermediate Similarity	NPC476847
0.7829	Intermediate Similarity	NPC58538
0.7826	Intermediate Similarity	NPC127046
0.7824	Intermediate Similarity	NPC263212
0.7824	Intermediate Similarity	NPC178173
0.7824	Intermediate Similarity	NPC472150
0.7818	Intermediate Similarity	NPC478133
0.7818	Intermediate Similarity	NPC267242
0.7816	Intermediate Similarity	NPC475054
0.7816	Intermediate Similarity	NPC232818
0.7816	Intermediate Similarity	NPC314489
0.7816	Intermediate Similarity	NPC198893
0.7816	Intermediate Similarity	NPC475613
0.7812	Intermediate Similarity	NPC478160
0.7811	Intermediate Similarity	NPC25889
0.7806	Intermediate Similarity	NPC315275
0.7803	Intermediate Similarity	NPC98776

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC474501 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	274
0.1-0.2	822
0.2-0.3	1518
0.3-0.4	2671
0.4-0.5	2187
0.5-0.6	1199
0.6-0.7	400
0.7-0.8	90
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
0.7919	Intermediate Similarity	NPD8312	Approved
0.7919	Intermediate Similarity	NPD8313	Approved
0.7882	Intermediate Similarity	NPD3751	Discontinued
0.7809	Intermediate Similarity	NPD7879	Clinical (unspecified phase)
0.7684	Intermediate Similarity	NPD8150	Discontinued
0.7647	Intermediate Similarity	NPD3787	Discontinued
0.7624	Intermediate Similarity	NPD6535	Approved
0.7624	Intermediate Similarity	NPD6534	Approved
0.7562	Intermediate Similarity	NPD8166	Discontinued
0.7514	Intermediate Similarity	NPD6782	Approved
0.7514	Intermediate Similarity	NPD6776	Approved
0.7514	Intermediate Similarity	NPD6777	Approved
0.7514	Intermediate Similarity	NPD6779	Approved
0.7514	Intermediate Similarity	NPD6778	Approved
0.7514	Intermediate Similarity	NPD6780	Approved
0.7514	Intermediate Similarity	NPD6781	Approved
0.75	Intermediate Similarity	NPD7699	Phase 2
0.75	Intermediate Similarity	NPD7700	Phase 2
0.7447	Intermediate Similarity	NPD8319	Approved
0.7447	Intermediate Similarity	NPD8320	Phase 1
0.7433	Intermediate Similarity	NPD6823	Phase 2
0.7403	Intermediate Similarity	NPD8397	Clinical (unspecified phase)
0.7401	Intermediate Similarity	NPD6559	Discontinued
0.7394	Intermediate Similarity	NPD7435	Discontinued
0.7378	Intermediate Similarity	NPD7422	Clinical (unspecified phase)
0.7377	Intermediate Similarity	NPD6212	Phase 3
0.7377	Intermediate Similarity	NPD6214	Clinical (unspecified phase)
0.7377	Intermediate Similarity	NPD6213	Phase 3
0.7371	Intermediate Similarity	NPD7228	Approved
0.732	Intermediate Similarity	NPD1470	Approved
0.7312	Intermediate Similarity	NPD5406	Approved
0.7312	Intermediate Similarity	NPD5404	Approved
0.7312	Intermediate Similarity	NPD5405	Approved
0.7312	Intermediate Similarity	NPD5408	Approved
0.731	Intermediate Similarity	NPD4381	Clinical (unspecified phase)
0.7305	Intermediate Similarity	NPD7458	Discontinued
0.7302	Intermediate Similarity	NPD7697	Approved
0.7302	Intermediate Similarity	NPD7698	Approved
0.7302	Intermediate Similarity	NPD7696	Phase 3
0.7267	Intermediate Similarity	NPD7266	Discontinued
0.7263	Intermediate Similarity	NPD7870	Phase 2
0.7263	Intermediate Similarity	NPD7871	Phase 2
0.7262	Intermediate Similarity	NPD4380	Phase 2
0.725	Intermediate Similarity	NPD1509	Clinical (unspecified phase)
0.724	Intermediate Similarity	NPD7701	Phase 2
0.7239	Intermediate Similarity	NPD6398	Clinical (unspecified phase)
0.7232	Intermediate Similarity	NPD7804	Clinical (unspecified phase)
0.7225	Intermediate Similarity	NPD7211	Clinical (unspecified phase)
0.7216	Intermediate Similarity	NPD7801	Approved
0.7212	Intermediate Similarity	NPD7390	Discontinued
0.7191	Intermediate Similarity	NPD7074	Phase 3
0.7184	Intermediate Similarity	NPD6959	Discontinued
0.7178	Intermediate Similarity	NPD6674	Discontinued
0.7176	Intermediate Similarity	NPD37	Approved
0.7171	Intermediate Similarity	NPD1201	Approved
0.7168	Intermediate Similarity	NPD6234	Discontinued
0.7165	Intermediate Similarity	NPD7874	Approved
0.7165	Intermediate Similarity	NPD7875	Clinical (unspecified phase)
0.7152	Intermediate Similarity	NPD3019	Approved
0.7152	Intermediate Similarity	NPD6663	Approved
0.7152	Intermediate Similarity	NPD2932	Approved
0.7151	Intermediate Similarity	NPD4966	Approved
0.7151	Intermediate Similarity	NPD4965	Approved
0.7151	Intermediate Similarity	NPD4967	Phase 2
0.7143	Intermediate Similarity	NPD3299	Clinical (unspecified phase)
0.7143	Intermediate Similarity	NPD8055	Clinical (unspecified phase)
0.7135	Intermediate Similarity	NPD8455	Phase 2
0.7135	Intermediate Similarity	NPD5844	Phase 1
0.7135	Intermediate Similarity	NPD7054	Approved
0.7119	Intermediate Similarity	NPD7473	Discontinued
0.7115	Intermediate Similarity	NPD5736	Approved
0.7101	Intermediate Similarity	NPD5808	Clinical (unspecified phase)
0.7101	Intermediate Similarity	NPD3226	Approved
0.7097	Intermediate Similarity	NPD3094	Phase 2
0.7095	Intermediate Similarity	NPD7472	Approved
0.7091	Intermediate Similarity	NPD6190	Approved
0.7079	Intermediate Similarity	NPD7799	Discontinued
0.7079	Intermediate Similarity	NPD3818	Discontinued
0.7066	Intermediate Similarity	NPD7004	Clinical (unspecified phase)
0.7056	Intermediate Similarity	NPD6797	Phase 2
0.7055	Intermediate Similarity	NPD2346	Discontinued
0.7048	Intermediate Similarity	NPD3300	Phase 2
0.7045	Intermediate Similarity	NPD6232	Discontinued
0.7035	Intermediate Similarity	NPD2393	Clinical (unspecified phase)
0.703	Intermediate Similarity	NPD7003	Approved
0.703	Intermediate Similarity	NPD4628	Phase 3
0.7026	Intermediate Similarity	NPD8151	Discontinued
0.7017	Intermediate Similarity	NPD7685	Pre-registration
0.7017	Intermediate Similarity	NPD7251	Discontinued
0.7017	Intermediate Similarity	NPD7240	Approved
0.6994	Remote Similarity	NPD6100	Approved
0.6994	Remote Similarity	NPD6099	Approved
0.6978	Remote Similarity	NPD7808	Phase 3
0.6966	Remote Similarity	NPD6168	Clinical (unspecified phase)
0.6966	Remote Similarity	NPD6166	Phase 2
0.6966	Remote Similarity	NPD6167	Clinical (unspecified phase)
0.6954	Remote Similarity	NPD7783	Phase 2
0.6954	Remote Similarity	NPD7782	Clinical (unspecified phase)
0.6948	Remote Similarity	NPD3092	Approved
0.6936	Remote Similarity	NPD7819	Suspended
0.6919	Remote Similarity	NPD8434	Phase 2
0.6918	Remote Similarity	NPD5952	Clinical (unspecified phase)
0.6914	Remote Similarity	NPD7075	Discontinued
0.6897	Remote Similarity	NPD8443	Clinical (unspecified phase)
0.6893	Remote Similarity	NPD8127	Discontinued
0.6885	Remote Similarity	NPD4338	Clinical (unspecified phase)
0.6879	Remote Similarity	NPD1934	Approved
0.6875	Remote Similarity	NPD3764	Approved
0.6864	Remote Similarity	NPD2533	Approved
0.6864	Remote Similarity	NPD2534	Approved
0.6864	Remote Similarity	NPD2532	Approved
0.686	Remote Similarity	NPD7028	Phase 2
0.6857	Remote Similarity	NPD4868	Clinical (unspecified phase)
0.6848	Remote Similarity	NPD5035	Approved
0.6839	Remote Similarity	NPD7096	Clinical (unspecified phase)
0.6836	Remote Similarity	NPD5494	Approved
0.6824	Remote Similarity	NPD6273	Approved
0.6818	Remote Similarity	NPD5125	Phase 3
0.6818	Remote Similarity	NPD5126	Approved
0.6814	Remote Similarity	NPD8155	Clinical (unspecified phase)
0.68	Remote Similarity	NPD5402	Approved
0.6797	Remote Similarity	NPD3091	Approved
0.6788	Remote Similarity	NPD2935	Discontinued
0.6776	Remote Similarity	NPD405	Clinical (unspecified phase)
0.6774	Remote Similarity	NPD3026	Approved
0.6774	Remote Similarity	NPD3023	Approved
0.677	Remote Similarity	NPD6410	Clinical (unspecified phase)
0.6768	Remote Similarity	NPD7097	Phase 1
0.6766	Remote Similarity	NPD5698	Clinical (unspecified phase)
0.6763	Remote Similarity	NPD6599	Discontinued
0.6758	Remote Similarity	NPD8470	Clinical (unspecified phase)
0.6753	Remote Similarity	NPD3024	Approved
0.6753	Remote Similarity	NPD3025	Approved
0.6746	Remote Similarity	NPD7236	Approved
0.6736	Remote Similarity	NPD8285	Discontinued
0.6726	Remote Similarity	NPD3750	Approved
0.6724	Remote Similarity	NPD7411	Suspended
0.6704	Remote Similarity	NPD7199	Phase 2
0.6703	Remote Similarity	NPD5026	Approved
0.6703	Remote Similarity	NPD5034	Approved
0.6703	Remote Similarity	NPD36	Approved
0.6703	Remote Similarity	NPD5028	Approved
0.6703	Remote Similarity	NPD4955	Approved
0.6703	Remote Similarity	NPD4954	Approved
0.6687	Remote Similarity	NPD4060	Phase 1
0.6687	Remote Similarity	NPD943	Approved
0.6686	Remote Similarity	NPD6801	Discontinued
0.6685	Remote Similarity	NPD7852	Clinical (unspecified phase)
0.6685	Remote Similarity	NPD7993	Clinical (unspecified phase)
0.6667	Remote Similarity	NPD8361	Approved
0.6667	Remote Similarity	NPD4160	Clinical (unspecified phase)
0.6667	Remote Similarity	NPD8360	Approved
0.6667	Remote Similarity	NPD4378	Clinical (unspecified phase)
0.6667	Remote Similarity	NPD7768	Phase 2
0.6667	Remote Similarity	NPD7410	Clinical (unspecified phase)
0.6667	Remote Similarity	NPD7421	Clinical (unspecified phase)
0.6651	Remote Similarity	NPD8059	Phase 3
0.6651	Remote Similarity	NPD8058	Clinical (unspecified phase)
0.6649	Remote Similarity	NPD5038	Approved
0.6649	Remote Similarity	NPD5030	Phase 2
0.6649	Remote Similarity	NPD5037	Approved
0.6649	Remote Similarity	NPD7237	Clinical (unspecified phase)
0.6649	Remote Similarity	NPD5039	Approved
0.6649	Remote Similarity	NPD8368	Discontinued
0.6648	Remote Similarity	NPD5761	Phase 2
0.6648	Remote Similarity	NPD5760	Phase 2
0.6648	Remote Similarity	NPD2801	Approved
0.6647	Remote Similarity	NPD7239	Suspended
0.6645	Remote Similarity	NPD2629	Approved
0.663	Remote Similarity	NPD4956	Approved
0.6629	Remote Similarity	NPD3749	Approved
0.6627	Remote Similarity	NPD2799	Discontinued
0.6627	Remote Similarity	NPD1878	Clinical (unspecified phase)
0.6627	Remote Similarity	NPD651	Clinical (unspecified phase)
0.6625	Remote Similarity	NPD2798	Approved
0.6608	Remote Similarity	NPD6143	Clinical (unspecified phase)
0.6607	Remote Similarity	NPD970	Clinical (unspecified phase)
0.6607	Remote Similarity	NPD2424	Discontinued
0.6607	Remote Similarity	NPD1549	Phase 2
0.6605	Remote Similarity	NPD4625	Phase 3
0.6603	Remote Similarity	NPD3095	Discontinued
0.6601	Remote Similarity	NPD7930	Approved
0.66	Remote Similarity	NPD4141	Clinical (unspecified phase)
0.6599	Remote Similarity	NPD7680	Approved
0.6596	Remote Similarity	NPD5036	Approved
0.659	Remote Similarity	NPD5403	Approved
0.6587	Remote Similarity	NPD2438	Suspended
0.6585	Remote Similarity	NPD7966	Clinical (unspecified phase)
0.6579	Remote Similarity	NPD4869	Clinical (unspecified phase)
0.6579	Remote Similarity	NPD8435	Approved
0.6573	Remote Similarity	NPD3882	Suspended
0.6566	Remote Similarity	NPD4978	Clinical (unspecified phase)
0.6564	Remote Similarity	NPD4907	Clinical (unspecified phase)
0.6564	Remote Similarity	NPD1699	Clinical (unspecified phase)
0.6561	Remote Similarity	NPD8424	Clinical (unspecified phase)
0.6552	Remote Similarity	NPD1653	Approved
0.6548	Remote Similarity	NPD5762	Approved
0.6548	Remote Similarity	NPD5763	Approved
0.6548	Remote Similarity	NPD1552	Clinical (unspecified phase)
0.6548	Remote Similarity	NPD1550	Clinical (unspecified phase)

Structure

NPC474501 OpenBabel07101719402D 32 38 0 0 1 0 0 0 0 0999 V2000 -6.0622 -3.5000 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 0.0000 2.0000 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 -4.3301 0.5000 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 0.0000 1.0000 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 -4.3301 -2.5000 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 -6.9282 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0622 -2.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.3301 -0.5000 0.0000 C 0 0 0 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 2 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 -3.4641 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9282 -2.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.7942 -0.5000 0.0000 C 0 0 1 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 -0.8660 -0.5000 0.0000 C 0 0 1 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 -1.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.6603 -2.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.7321 1.0000 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 -2.5981 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5981 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.5263 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.6603 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.7942 -2.5000 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 2 25 1 0 0 0 0 3 4 2 0 0 0 0 3 7 1 0 0 0 0 4 20 1 0 0 0 0 5 6 1 0 0 0 0 5 13 1 0 0 0 0 6 16 1 0 0 0 0 8 13 2 0 0 0 0 8 14 1 0 0 0 0 9 14 2 0 0 0 0 9 17 1 0 0 0 0 10 21 1 0 0 0 0 11 18 1 0 0 0 0 12 1 1 6 0 0 0 12 14 1 0 0 0 0 13 22 1 0 0 0 0 15 10 1 1 0 0 0 15 16 1 0 0 0 0 15 22 1 0 0 0 0 16 25 1 6 0 0 0 17 22 2 0 0 0 0 17 27 1 0 0 0 0 18 12 1 1 0 0 0 18 31 1 0 0 0 0 19 11 1 1 0 0 0 19 23 1 0 0 0 0 19 30 1 0 0 0 0 20 25 1 0 0 0 0 20 28 2 0 0 0 0 21 26 1 1 0 0 0 21 32 1 0 0 0 0 23 24 1 0 0 0 0 23 30 1 1 0 0 0 24 29 1 1 0 0 0 24 31 1 0 0 0 0 25 26 1 6 0 0 0 26 7 1 6 0 0 0 26 32 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	44558902
ChEMBL	CHEMBL470236
ZINC

Physicochemical Properties

Molecular Weight:	438.20
ALogP:	-0.9549
MLogP:	3.66
XLogP:	2.206
# Rotatable Bonds:	6
Polar Surface Area:	91.82
# H-Bond Aceptor:	5
# H-Bond Donor:	2
# Rings:	7
# Heavy Atoms:	32

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