NPASS Natural Product

Natural Product: NPC57715

Natural Product ID:	NPC57715
Common Name:	10-O-Methylmacluraxanthone
IUPAC Name:	5,9-dihydroxy-10-methoxy-2,2-dimethyl-12-(2-methylbut-3-en-2-yl)pyrano[3,2-b]xanthen-6-one
Synonyms:	10-O-Methylmacluraxanthone
Molecular Formula:	C24H24O6
Standard InCHIKey:	XPXBUMXEOVNYQI-UHFFFAOYSA-N
Standard InCHI:	InChI=1S/C24H24O6/c1-7-23(2,3)16-19-13(10-11-24(4,5)30-19)18(27)15-17(26)12-8-9-14(25)21(28-6)20(12)29-22(15)16/h7-11,25,27H,1H2,2-6H3
Canonical SMILES:	C=CC(c1c2OC(C)(C)C=Cc2c(c2c1oc1c(OC)c(O)ccc1c2=O)O)(C)C
First Find Year:
Max Developmental Stage:
Synthetic Gene Cluster:	;

Species Source

Organism ID	Organism Name	Taxonomy Level	Family	SuperKingdom	Isolation Part	Reference
NPO13990	Montanoa atriplicifolia	Species	Asteraceae	Eukaryota		UNPD*
NPO825	Stranvaesia davidiana	Species	Rosaceae	Eukaryota		UNPD*
NPO32914	garcinia propinqua	Species	Clusiaceae	Eukaryota	Twigs	PMID[22963193]
NPO20116	Ilex cornuta	Species	Aquifoliaceae	Eukaryota		UNPD*
NPO19764	Tithonia diversifolia	Species	Asteraceae	Eukaryota		UNPD*
NPO20927	Scirpophaga incertulas	Species	Crambidae	Eukaryota		UNPD*
NPO21675	Persicaria sibirica	Species	Polygonaceae	Eukaryota		UNPD*
NPO16024	Piper sumatranum	Species	Piperaceae	Eukaryota		UNPD*
NPO19000	Crepis crocea	Species	Asteraceae	Eukaryota		UNPD*
NPO24016	Cladanthus mixtus	Species	Asteraceae	Eukaryota		UNPD*
NPO15534	Parablechnum procerum	Species	Blechnaceae	Eukaryota		UNPD*
NPO21003	Cystoseira tamariscifolia	Species	Sargassaceae	Eukaryota		UNPD*
NPO27328	Echinopsis candicans	Species	Cactaceae	Eukaryota		UNPD*
NPO3338	Vatica obscura	Species	Dipterocarpaceae	Eukaryota		UNPD*
NPO9019	Asplenium antiquum	Species	Aspleniaceae	Eukaryota		UNPD*
NPO22290	Garcinia linii	Species	Clusiaceae	Eukaryota		TCMID*

Biological Activity

Activity Type	# Activity
MIC	4

Activity Type	# Activity
Organism	4

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MIC	=	4	ug/ml	22963193
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MIC	=	2	ug/ml	22963193
NPT19	Organism	Escherichia coli	Escherichia coli	MIC	=	128	ug/ml	22963193
NPT566	Organism	Salmonella typhimurium	Salmonella enterica subsp. enterica serovar Typhimurium	MIC	=	128	ug/ml	22963193

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 NPC57715 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	340
0.1-0.2	1263
0.2-0.3	2416
0.3-0.4	6170
0.4-0.5	6791
0.5-0.6	2633
0.6-0.7	3518
0.7-0.8	4360
0.8-0.85	1803
0.85-0.9	1187
0.9-0.95	373
0.95-1	35

Similarity Score	Similarity Level	Natural Product ID
0.9934	High Similarity	NPC188433
0.9869	High Similarity	NPC234644
0.9803	High Similarity	NPC180011
0.9803	High Similarity	NPC219867
0.9742	High Similarity	NPC306321
0.9742	High Similarity	NPC303460
0.9739	High Similarity	NPC204879
0.9737	High Similarity	NPC115853
0.9673	High Similarity	NPC161960
0.9673	High Similarity	NPC187745
0.9673	High Similarity	NPC474681
0.9673	High Similarity	NPC304008
0.9673	High Similarity	NPC218313
0.9671	High Similarity	NPC256925
0.9671	High Similarity	NPC200246
0.962	High Similarity	NPC288813
0.9608	High Similarity	NPC5322
0.9608	High Similarity	NPC133970
0.9608	High Similarity	NPC472455
0.9608	High Similarity	NPC6633
0.9608	High Similarity	NPC470600
0.956	High Similarity	NPC472276
0.9551	High Similarity	NPC472448
0.9551	High Similarity	NPC474162
0.9551	High Similarity	NPC474150
0.9551	High Similarity	NPC83922
0.9548	High Similarity	NPC471973
0.9545	High Similarity	NPC52889
0.9542	High Similarity	NPC57674
0.9542	High Similarity	NPC152951
0.9542	High Similarity	NPC230149
0.9542	High Similarity	NPC117992
0.9542	High Similarity	NPC168247
0.9542	High Similarity	NPC472280
0.9542	High Similarity	NPC234255
0.949	High Similarity	NPC205265
0.949	High Similarity	NPC472281
0.9487	High Similarity	NPC29876
0.9487	High Similarity	NPC167678
0.9484	High Similarity	NPC235448
0.9484	High Similarity	NPC184755
0.9484	High Similarity	NPC74178
0.9477	High Similarity	NPC227337
0.9477	High Similarity	NPC273462
0.9477	High Similarity	NPC70433
0.9477	High Similarity	NPC49402
0.9477	High Similarity	NPC33051
0.943	High Similarity	NPC472450
0.943	High Similarity	NPC472277
0.943	High Similarity	NPC275780
0.943	High Similarity	NPC239752
0.9427	High Similarity	NPC78332
0.9427	High Similarity	NPC261470
0.9423	High Similarity	NPC119209
0.9423	High Similarity	NPC474960
0.9423	High Similarity	NPC476980
0.9423	High Similarity	NPC204290
0.9423	High Similarity	NPC28241
0.9423	High Similarity	NPC118256
0.9423	High Similarity	NPC192686
0.9419	High Similarity	NPC136674
0.9419	High Similarity	NPC79053
0.9412	High Similarity	NPC237994
0.9371	High Similarity	NPC39091
0.9367	High Similarity	NPC18100
0.9367	High Similarity	NPC189473
0.9367	High Similarity	NPC187491
0.9367	High Similarity	NPC220313
0.9367	High Similarity	NPC23298
0.9367	High Similarity	NPC186686
0.9367	High Similarity	NPC319200
0.9367	High Similarity	NPC12461
0.9363	High Similarity	NPC472906
0.9363	High Similarity	NPC134783
0.9363	High Similarity	NPC472275
0.9363	High Similarity	NPC474038
0.9363	High Similarity	NPC259456
0.9359	High Similarity	NPC172770
0.9359	High Similarity	NPC185258
0.9355	High Similarity	NPC471985
0.9355	High Similarity	NPC282307
0.9355	High Similarity	NPC170026
0.9346	High Similarity	NPC154345
0.9308	High Similarity	NPC303174
0.9308	High Similarity	NPC50960
0.9308	High Similarity	NPC62261
0.9304	High Similarity	NPC474034
0.9304	High Similarity	NPC474033
0.9304	High Similarity	NPC229632
0.9304	High Similarity	NPC329760
0.9304	High Similarity	NPC206605
0.9299	High Similarity	NPC476280
0.9299	High Similarity	NPC475784
0.9299	High Similarity	NPC80375
0.9299	High Similarity	NPC297212
0.9295	High Similarity	NPC36852
0.9295	High Similarity	NPC476981
0.9295	High Similarity	NPC299520
0.9295	High Similarity	NPC262286
0.9295	High Similarity	NPC129684
0.9295	High Similarity	NPC284820
0.9295	High Similarity	NPC27337
0.9295	High Similarity	NPC473272
0.9295	High Similarity	NPC78225
0.9295	High Similarity	NPC472963
0.9295	High Similarity	NPC291508
0.9286	High Similarity	NPC39732
0.9286	High Similarity	NPC60972
0.9286	High Similarity	NPC257648
0.9286	High Similarity	NPC471982
0.9286	High Similarity	NPC477231
0.9281	High Similarity	NPC29231
0.9255	High Similarity	NPC165456
0.925	High Similarity	NPC37870
0.925	High Similarity	NPC235610
0.925	High Similarity	NPC43319
0.925	High Similarity	NPC472449
0.9245	High Similarity	NPC248638
0.9245	High Similarity	NPC152659
0.9245	High Similarity	NPC124038
0.9245	High Similarity	NPC236521
0.9245	High Similarity	NPC472625
0.9241	High Similarity	NPC26326
0.9241	High Similarity	NPC472632
0.9241	High Similarity	NPC32694
0.9241	High Similarity	NPC471210
0.9241	High Similarity	NPC61010
0.9241	High Similarity	NPC258331
0.9236	High Similarity	NPC46736
0.9236	High Similarity	NPC55738
0.9236	High Similarity	NPC197856
0.9231	High Similarity	NPC3980
0.9231	High Similarity	NPC472907
0.9231	High Similarity	NPC278778
0.9231	High Similarity	NPC35038
0.9231	High Similarity	NPC191146
0.9231	High Similarity	NPC68093
0.9231	High Similarity	NPC291878
0.9231	High Similarity	NPC195796
0.9231	High Similarity	NPC138243
0.9226	High Similarity	NPC472905
0.9226	High Similarity	NPC170492
0.9226	High Similarity	NPC469550
0.9221	High Similarity	NPC31363
0.9221	High Similarity	NPC256406
0.9211	High Similarity	NPC77378
0.9202	High Similarity	NPC310794
0.9193	High Similarity	NPC476306
0.9193	High Similarity	NPC8965
0.9193	High Similarity	NPC218226
0.9187	High Similarity	NPC108433
0.9187	High Similarity	NPC293319
0.9187	High Similarity	NPC300053
0.9182	High Similarity	NPC476247
0.9182	High Similarity	NPC25152
0.9177	High Similarity	NPC174953
0.9177	High Similarity	NPC14353
0.9177	High Similarity	NPC139036
0.9177	High Similarity	NPC228785
0.9177	High Similarity	NPC45146
0.9177	High Similarity	NPC235018
0.9177	High Similarity	NPC472624
0.9177	High Similarity	NPC328102
0.9177	High Similarity	NPC36217
0.9177	High Similarity	NPC56085
0.9177	High Similarity	NPC476283
0.9172	High Similarity	NPC474055
0.9172	High Similarity	NPC67876
0.9172	High Similarity	NPC78071
0.9172	High Similarity	NPC471209
0.9172	High Similarity	NPC472598
0.9167	High Similarity	NPC477503
0.9167	High Similarity	NPC20830
0.9167	High Similarity	NPC255807
0.9167	High Similarity	NPC256612
0.9167	High Similarity	NPC470327
0.9167	High Similarity	NPC113906
0.9167	High Similarity	NPC45849
0.9167	High Similarity	NPC200761
0.9167	High Similarity	NPC31018
0.9161	High Similarity	NPC161277
0.9161	High Similarity	NPC472912
0.9161	High Similarity	NPC39007
0.9161	High Similarity	NPC260979
0.9161	High Similarity	NPC166201
0.9156	High Similarity	NPC472279
0.9156	High Similarity	NPC88804
0.9156	High Similarity	NPC3825
0.915	High Similarity	NPC43669
0.915	High Similarity	NPC196277
0.915	High Similarity	NPC272721
0.9136	High Similarity	NPC177480
0.913	High Similarity	NPC120593
0.9125	High Similarity	NPC207690
0.9125	High Similarity	NPC473313
0.9125	High Similarity	NPC146134
0.9125	High Similarity	NPC329669
0.9125	High Similarity	NPC472278
0.9125	High Similarity	NPC41301
0.9125	High Similarity	NPC476295

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC57715 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	353
0.1-0.2	905
0.2-0.3	1635
0.3-0.4	2611
0.4-0.5	1938
0.5-0.6	1042
0.6-0.7	470
0.7-0.8	156
0.8-0.85	33
0.85-0.9	15
0.9-0.95	3
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.9103	High Similarity	NPD2393	Clinical (unspecified phase)
0.9103	High Similarity	NPD2801	Approved
0.9038	High Similarity	NPD1934	Approved
0.8868	High Similarity	NPD3882	Suspended
0.8766	High Similarity	NPD1511	Approved
0.872	High Similarity	NPD6167	Clinical (unspecified phase)
0.872	High Similarity	NPD6168	Clinical (unspecified phase)
0.872	High Similarity	NPD6166	Phase 2
0.8704	High Similarity	NPD5494	Approved
0.8671	High Similarity	NPD4380	Phase 2
0.8654	High Similarity	NPD1512	Approved
0.8614	High Similarity	NPD3818	Discontinued
0.859	High Similarity	NPD7410	Clinical (unspecified phase)
0.859	High Similarity	NPD4378	Clinical (unspecified phase)
0.8563	High Similarity	NPD7054	Approved
0.8519	High Similarity	NPD4868	Clinical (unspecified phase)
0.8512	High Similarity	NPD7472	Approved
0.8512	High Similarity	NPD7074	Phase 3
0.8466	Intermediate Similarity	NPD7075	Discontinued
0.8457	Intermediate Similarity	NPD3817	Phase 2
0.8395	Intermediate Similarity	NPD7819	Suspended
0.8395	Intermediate Similarity	NPD1465	Phase 2
0.8395	Intermediate Similarity	NPD7096	Clinical (unspecified phase)
0.8373	Intermediate Similarity	NPD6232	Discontinued
0.8363	Intermediate Similarity	NPD4338	Clinical (unspecified phase)
0.8354	Intermediate Similarity	NPD4381	Clinical (unspecified phase)
0.8353	Intermediate Similarity	NPD6797	Phase 2
0.8344	Intermediate Similarity	NPD8443	Clinical (unspecified phase)
0.8333	Intermediate Similarity	NPD7473	Discontinued
0.8333	Intermediate Similarity	NPD6801	Discontinued
0.8323	Intermediate Similarity	NPD1549	Phase 2
0.8304	Intermediate Similarity	NPD7251	Discontinued
0.8272	Intermediate Similarity	NPD7411	Suspended
0.8258	Intermediate Similarity	NPD1552	Clinical (unspecified phase)
0.8258	Intermediate Similarity	NPD1550	Clinical (unspecified phase)
0.8256	Intermediate Similarity	NPD7808	Phase 3
0.8247	Intermediate Similarity	NPD1510	Phase 2
0.8235	Intermediate Similarity	NPD5844	Phase 1
0.821	Intermediate Similarity	NPD6599	Discontinued
0.8204	Intermediate Similarity	NPD6959	Discontinued
0.8194	Intermediate Similarity	NPD2796	Approved
0.8153	Intermediate Similarity	NPD2800	Approved
0.8129	Intermediate Similarity	NPD7804	Clinical (unspecified phase)
0.8105	Intermediate Similarity	NPD1240	Approved
0.8105	Intermediate Similarity	NPD943	Approved
0.8063	Intermediate Similarity	NPD6799	Approved
0.8059	Intermediate Similarity	NPD7852	Clinical (unspecified phase)
0.8035	Intermediate Similarity	NPD7993	Clinical (unspecified phase)
0.8024	Intermediate Similarity	NPD3749	Approved
0.8	Intermediate Similarity	NPD3926	Phase 2
0.8	Intermediate Similarity	NPD1607	Approved
0.7988	Intermediate Similarity	NPD1247	Approved
0.7987	Intermediate Similarity	NPD3750	Approved
0.7976	Intermediate Similarity	NPD919	Approved
0.7964	Intermediate Similarity	NPD7768	Phase 2
0.7904	Intermediate Similarity	NPD5402	Approved
0.7886	Intermediate Similarity	NPD6559	Discontinued
0.7862	Intermediate Similarity	NPD970	Clinical (unspecified phase)
0.7848	Intermediate Similarity	NPD6100	Approved
0.7848	Intermediate Similarity	NPD6099	Approved
0.7805	Intermediate Similarity	NPD5403	Approved
0.7784	Intermediate Similarity	NPD7501	Clinical (unspecified phase)
0.7771	Intermediate Similarity	NPD6651	Approved
0.7764	Intermediate Similarity	NPD6398	Clinical (unspecified phase)
0.7764	Intermediate Similarity	NPD4628	Phase 3
0.7736	Intermediate Similarity	NPD2935	Discontinued
0.7727	Intermediate Similarity	NPD1529	Clinical (unspecified phase)
0.7702	Intermediate Similarity	NPD7421	Clinical (unspecified phase)
0.7697	Intermediate Similarity	NPD920	Approved
0.7697	Intermediate Similarity	NPD6980	Clinical (unspecified phase)
0.7683	Intermediate Similarity	NPD5401	Approved
0.7683	Intermediate Similarity	NPD2534	Approved
0.7683	Intermediate Similarity	NPD2532	Approved
0.7683	Intermediate Similarity	NPD2533	Approved
0.768	Intermediate Similarity	NPD8397	Clinical (unspecified phase)
0.7673	Intermediate Similarity	NPD1509	Clinical (unspecified phase)
0.7673	Intermediate Similarity	NPD2799	Discontinued
0.7673	Intermediate Similarity	NPD3748	Approved
0.7662	Intermediate Similarity	NPD1530	Clinical (unspecified phase)
0.7643	Intermediate Similarity	NPD1613	Approved
0.7643	Intermediate Similarity	NPD1612	Clinical (unspecified phase)
0.7611	Intermediate Similarity	NPD8055	Clinical (unspecified phase)
0.7605	Intermediate Similarity	NPD3226	Approved
0.7596	Intermediate Similarity	NPD7879	Clinical (unspecified phase)
0.7595	Intermediate Similarity	NPD230	Phase 1
0.7595	Intermediate Similarity	NPD447	Suspended
0.7593	Intermediate Similarity	NPD1243	Approved
0.7578	Intermediate Similarity	NPD2346	Discontinued
0.7578	Intermediate Similarity	NPD2344	Approved
0.7562	Intermediate Similarity	NPD651	Clinical (unspecified phase)
0.7557	Intermediate Similarity	NPD3751	Discontinued
0.7542	Intermediate Similarity	NPD4419	Clinical (unspecified phase)
0.7528	Intermediate Similarity	NPD5953	Discontinued
0.7516	Intermediate Similarity	NPD4907	Clinical (unspecified phase)
0.7516	Intermediate Similarity	NPD1551	Phase 2
0.7516	Intermediate Similarity	NPD2313	Discontinued
0.7514	Intermediate Similarity	NPD7286	Phase 2
0.7486	Intermediate Similarity	NPD7685	Pre-registration
0.7484	Intermediate Similarity	NPD1933	Approved
0.7471	Intermediate Similarity	NPD7199	Phase 2
0.747	Intermediate Similarity	NPD642	Clinical (unspecified phase)
0.7457	Intermediate Similarity	NPD6234	Discontinued
0.7455	Intermediate Similarity	NPD643	Clinical (unspecified phase)
0.7452	Intermediate Similarity	NPD3027	Phase 3
0.7439	Intermediate Similarity	NPD1878	Clinical (unspecified phase)
0.7436	Intermediate Similarity	NPD9494	Approved
0.7429	Intermediate Similarity	NPD3787	Discontinued
0.741	Intermediate Similarity	NPD6143	Clinical (unspecified phase)
0.741	Intermediate Similarity	NPD7390	Discontinued
0.7405	Intermediate Similarity	NPD6859	Clinical (unspecified phase)
0.7403	Intermediate Similarity	NPD8312	Approved
0.7403	Intermediate Similarity	NPD4379	Clinical (unspecified phase)
0.7403	Intermediate Similarity	NPD8313	Approved
0.7396	Intermediate Similarity	NPD7458	Discontinued
0.7394	Intermediate Similarity	NPD2309	Approved
0.7389	Intermediate Similarity	NPD4908	Phase 1
0.7386	Intermediate Similarity	NPD7184	Clinical (unspecified phase)
0.7377	Intermediate Similarity	NPD8434	Phase 2
0.7365	Intermediate Similarity	NPD7004	Clinical (unspecified phase)
0.736	Intermediate Similarity	NPD7228	Approved
0.7342	Intermediate Similarity	NPD4625	Phase 3
0.734	Intermediate Similarity	NPD8090	Clinical (unspecified phase)
0.7337	Intermediate Similarity	NPD1653	Approved
0.7326	Intermediate Similarity	NPD4363	Phase 3
0.7326	Intermediate Similarity	NPD4360	Phase 2
0.7316	Intermediate Similarity	NPD6777	Approved
0.7316	Intermediate Similarity	NPD6780	Approved
0.7316	Intermediate Similarity	NPD6779	Approved
0.7316	Intermediate Similarity	NPD6778	Approved
0.7316	Intermediate Similarity	NPD6781	Approved
0.7316	Intermediate Similarity	NPD6776	Approved
0.7316	Intermediate Similarity	NPD6782	Approved
0.7289	Intermediate Similarity	NPD6190	Approved
0.7283	Intermediate Similarity	NPD8150	Discontinued
0.7268	Intermediate Similarity	NPD7584	Approved
0.7267	Intermediate Similarity	NPD37	Approved
0.7262	Intermediate Similarity	NPD7422	Clinical (unspecified phase)
0.7261	Intermediate Similarity	NPD2798	Approved
0.7241	Intermediate Similarity	NPD4967	Phase 2
0.7241	Intermediate Similarity	NPD4965	Approved
0.7241	Intermediate Similarity	NPD4966	Approved
0.7232	Intermediate Similarity	NPD5710	Approved
0.7232	Intermediate Similarity	NPD5711	Approved
0.7202	Intermediate Similarity	NPD7435	Discontinued
0.7197	Intermediate Similarity	NPD1203	Approved
0.7194	Intermediate Similarity	NPD8151	Discontinued
0.7193	Intermediate Similarity	NPD5808	Clinical (unspecified phase)
0.7191	Intermediate Similarity	NPD5242	Approved
0.7188	Intermediate Similarity	NPD3268	Approved
0.7188	Intermediate Similarity	NPD6410	Clinical (unspecified phase)
0.7161	Intermediate Similarity	NPD1610	Phase 2
0.7161	Intermediate Similarity	NPD1547	Clinical (unspecified phase)
0.716	Intermediate Similarity	NPD5123	Clinical (unspecified phase)
0.716	Intermediate Similarity	NPD5124	Phase 1
0.7151	Intermediate Similarity	NPD2403	Approved
0.7134	Intermediate Similarity	NPD4308	Phase 3
0.7134	Intermediate Similarity	NPD7033	Discontinued
0.7126	Intermediate Similarity	NPD8166	Discontinued
0.7126	Intermediate Similarity	NPD7003	Approved
0.7115	Intermediate Similarity	NPD3972	Approved
0.7113	Intermediate Similarity	NPD7697	Approved
0.7113	Intermediate Similarity	NPD7696	Phase 3
0.7113	Intermediate Similarity	NPD7698	Approved
0.7112	Intermediate Similarity	NPD4287	Approved
0.7105	Intermediate Similarity	NPD4361	Phase 2
0.7105	Intermediate Similarity	NPD4362	Clinical (unspecified phase)
0.7098	Intermediate Similarity	NPD2494	Approved
0.7098	Intermediate Similarity	NPD2493	Approved
0.7091	Intermediate Similarity	NPD5405	Approved
0.7091	Intermediate Similarity	NPD5408	Approved
0.7091	Intermediate Similarity	NPD5406	Approved
0.7091	Intermediate Similarity	NPD5404	Approved
0.7089	Intermediate Similarity	NPD2797	Approved
0.7089	Intermediate Similarity	NPD1470	Approved
0.7086	Intermediate Similarity	NPD4288	Approved
0.7079	Intermediate Similarity	NPD8127	Discontinued
0.7077	Intermediate Similarity	NPD7870	Phase 2
0.7077	Intermediate Similarity	NPD7871	Phase 2
0.707	Intermediate Similarity	NPD4749	Approved
0.7069	Intermediate Similarity	NPD6844	Discontinued
0.7065	Intermediate Similarity	NPD7549	Discontinued
0.7063	Intermediate Similarity	NPD6832	Phase 2
0.7062	Intermediate Similarity	NPD6823	Phase 2
0.7059	Intermediate Similarity	NPD7907	Approved
0.7056	Intermediate Similarity	NPD7701	Phase 2
0.7053	Intermediate Similarity	NPD6535	Approved
0.7053	Intermediate Similarity	NPD6534	Approved
0.7044	Intermediate Similarity	NPD4665	Approved
0.7044	Intermediate Similarity	NPD4111	Phase 1
0.7039	Intermediate Similarity	NPD7229	Phase 3
0.7035	Intermediate Similarity	NPD7783	Phase 2
0.7035	Intermediate Similarity	NPD7782	Clinical (unspecified phase)
0.7029	Intermediate Similarity	NPD5760	Phase 2
0.7029	Intermediate Similarity	NPD5761	Phase 2
0.7027	Intermediate Similarity	NPD3534	Clinical (unspecified phase)
0.7019	Intermediate Similarity	NPD7095	Approved
0.7018	Intermediate Similarity	NPD6273	Approved
0.7013	Intermediate Similarity	NPD1548	Phase 1
0.7011	Intermediate Similarity	NPD7615	Clinical (unspecified phase)
0.7011	Intermediate Similarity	NPD6104	Discontinued

Structure

CID57715 OpenBabel06191715392D 30 33 0 0 0 0 0 0 0 0999 V2000 -2.5981 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7321 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2321 1.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8660 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3660 0.3660 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 -2.5981 1.5000 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 -6.0622 -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 -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 -0.8660 -1.5000 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 -2.5981 -1.5000 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 -2.0000 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 -0.8660 -0.5000 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 -5.1962 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5981 -0.5000 0.0000 C 0 0 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 0.8660 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9282 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4641 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1962 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4641 0.0000 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 7 2 0 0 0 0 2 23 1 0 0 0 0 3 23 1 0 0 0 0 4 24 1 0 0 0 0 5 24 1 0 0 0 0 6 28 1 0 0 0 0 7 23 1 0 0 0 0 8 9 2 0 0 0 0 8 12 1 0 0 0 0 9 14 1 0 0 0 0 10 11 2 0 0 0 0 10 13 1 0 0 0 0 11 24 1 0 0 0 0 12 17 1 0 0 0 0 12 20 2 0 0 0 0 13 18 2 0 0 0 0 13 19 1 0 0 0 0 14 21 2 0 0 0 0 14 25 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 15 22 2 0 0 0 0 16 19 2 0 0 0 0 16 22 1 0 0 0 0 16 23 1 0 0 0 0 17 26 2 0 0 0 0 18 27 1 0 0 0 0 19 30 1 0 0 0 0 20 21 1 0 0 0 0 20 29 1 0 0 0 0 21 28 1 0 0 0 0 22 29 1 0 0 0 0 24 30 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	71458306
ChEMBL	CHEMBL2147811
ZINC

Physicochemical Properties

Molecular Weight:	408.16
ALogP:	1.1392
MLogP:	3.44
XLogP:	3.37
# Rotatable Bonds:	10
Polar Surface Area:	85.22
# H-Bond Aceptor:	1
# H-Bond Donor:	2
# Rings:	4
# Heavy Atoms:	30

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