NPASS Natural Product

Natural Product: NPC167678

Natural Product ID:	NPC167678
Common Name:	Staudtiixanthone C
IUPAC Name:	6,9,11-trihydroxy-3,3-dimethyl-5-(3-methylbut-2-enyl)pyrano[2,3-c]xanthen-7-one
Synonyms:	Staudtiixanthone C
Molecular Formula:	C23H22O6
Standard InCHIKey:	OCHLEASELDOLFH-UHFFFAOYSA-N
Standard InCHI:	InChI=1S/C23H22O6/c1-11(2)5-6-13-18(26)17-19(27)15-9-12(24)10-16(25)21(15)28-22(17)14-7-8-23(3,4)29-20(13)14/h5,7-10,24-26H,6H2,1-4H3
Canonical SMILES:	CC(=CCc1c2OC(C)(C)C=Cc2c2c(c1O)c(=O)c1c(o2)c(O)cc(c1)O)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
NPO6871	Garcinia staudtii	Species	Clusiaceae	Eukaryota	Twigs			PMID[19604701]

Biological Activity

Activity Type	# Activity
IC50	1
MIC	1
Others	7

Activity Type	# Activity
Cell Line	4
Organism	1
Others	4

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT927	Cell Line	PBMC	Homo sapiens	Activity	=	528.5	ug/ml	20192239
NPT2	Others	Unspecified		Inhibition	=	36.4	%	20192239
NPT2	Others	Unspecified		Inhibition	=	42.2	%	20192239
NPT2	Others	Unspecified		Inhibition	=	27	%	DrugMatrix in vitro pharmacology data
NPT2	Others	Unspecified		Inhibition	=	46	%	DrugMatrix in vitro pharmacology data
NPT927	Cell Line	PBMC	Homo sapiens	IC50	=	12.7	ug/ml	9917283
NPT927	Cell Line	PBMC	Homo sapiens	Activity	=	120.5	ug/ml	19738019
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MIC	=	128	ug/ml	DrugMatrix in vivo data: Hematology
NPT927	Cell Line	PBMC	Homo sapiens	Activity	=	4033.7	ug/ml	17923491

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 NPC167678 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	346
0.1-0.2	1282
0.2-0.3	2738
0.3-0.4	6811
0.4-0.5	6079
0.5-0.6	2506
0.6-0.7	3476
0.7-0.8	4051
0.8-0.85	1776
0.85-0.9	1108
0.9-0.95	647
0.95-1	69

Similarity Score	Similarity Level	Natural Product ID
1.0	High Similarity	NPC29876
0.9935	High Similarity	NPC83922
0.9935	High Similarity	NPC472448
0.9934	High Similarity	NPC204290
0.9869	High Similarity	NPC259456
0.9804	High Similarity	NPC476980
0.9803	High Similarity	NPC474681
0.9803	High Similarity	NPC218313
0.9742	High Similarity	NPC306321
0.9742	High Similarity	NPC303460
0.9742	High Similarity	NPC189473
0.9742	High Similarity	NPC23298
0.9739	High Similarity	NPC204879
0.9737	High Similarity	NPC191146
0.9737	High Similarity	NPC5322
0.9737	High Similarity	NPC133970
0.9737	High Similarity	NPC68093
0.9737	High Similarity	NPC6633
0.9737	High Similarity	NPC138243
0.9679	High Similarity	NPC472450
0.9679	High Similarity	NPC239752
0.9679	High Similarity	NPC275780
0.9677	High Similarity	NPC329760
0.9677	High Similarity	NPC261470
0.9673	High Similarity	NPC78225
0.9673	High Similarity	NPC36852
0.9673	High Similarity	NPC262286
0.9673	High Similarity	NPC476981
0.9671	High Similarity	NPC200246
0.9671	High Similarity	NPC472280
0.9618	High Similarity	NPC37870
0.9618	High Similarity	NPC472449
0.9618	High Similarity	NPC39091
0.9613	High Similarity	NPC258331
0.9613	High Similarity	NPC234644
0.9608	High Similarity	NPC471985
0.9608	High Similarity	NPC276444
0.9608	High Similarity	NPC472455
0.9608	High Similarity	NPC470600
0.9605	High Similarity	NPC49402
0.9605	High Similarity	NPC227337
0.9605	High Similarity	NPC273462
0.9605	High Similarity	NPC70433
0.9605	High Similarity	NPC33051
0.9554	High Similarity	NPC50960
0.9551	High Similarity	NPC474150
0.9551	High Similarity	NPC474162
0.9551	High Similarity	NPC25152
0.9551	High Similarity	NPC229632
0.9548	High Similarity	NPC119209
0.9548	High Similarity	NPC188433
0.9548	High Similarity	NPC118256
0.9548	High Similarity	NPC471973
0.9548	High Similarity	NPC139036
0.9548	High Similarity	NPC192686
0.9545	High Similarity	NPC52889
0.9545	High Similarity	NPC476630
0.9545	High Similarity	NPC218871
0.9542	High Similarity	NPC256612
0.9542	High Similarity	NPC113906
0.9542	High Similarity	NPC230149
0.9542	High Similarity	NPC57674
0.9542	High Similarity	NPC152951
0.9542	High Similarity	NPC168247
0.9542	High Similarity	NPC20830
0.9542	High Similarity	NPC117992
0.9542	High Similarity	NPC256925
0.9542	High Similarity	NPC234255
0.9539	High Similarity	NPC237994
0.949	High Similarity	NPC248638
0.949	High Similarity	NPC152659
0.949	High Similarity	NPC207690
0.949	High Similarity	NPC236521
0.9487	High Similarity	NPC134783
0.9487	High Similarity	NPC61010
0.9487	High Similarity	NPC57715
0.9487	High Similarity	NPC474038
0.9487	High Similarity	NPC266314
0.9484	High Similarity	NPC100123
0.9484	High Similarity	NPC74178
0.9484	High Similarity	NPC250214
0.9484	High Similarity	NPC172770
0.9484	High Similarity	NPC474290
0.9484	High Similarity	NPC95936
0.9484	High Similarity	NPC185258
0.9484	High Similarity	NPC184755
0.9481	High Similarity	NPC472916
0.9477	High Similarity	NPC167091
0.9477	High Similarity	NPC69394
0.9477	High Similarity	NPC88645
0.9477	High Similarity	NPC170492
0.9477	High Similarity	NPC183878
0.9477	High Similarity	NPC145379
0.9477	High Similarity	NPC231018
0.9477	High Similarity	NPC206238
0.9477	High Similarity	NPC271779
0.9477	High Similarity	NPC255350
0.9477	High Similarity	NPC47781
0.9477	High Similarity	NPC22519
0.9477	High Similarity	NPC176775
0.9477	High Similarity	NPC274327
0.9477	High Similarity	NPC160951
0.9477	High Similarity	NPC292214
0.9474	High Similarity	NPC251110
0.9474	High Similarity	NPC154345
0.9441	High Similarity	NPC310794
0.9437	High Similarity	NPC472276
0.9427	High Similarity	NPC81679
0.9427	High Similarity	NPC474033
0.9427	High Similarity	NPC474034
0.9423	High Similarity	NPC14353
0.9423	High Similarity	NPC56085
0.9423	High Similarity	NPC246478
0.9423	High Similarity	NPC320359
0.9423	High Similarity	NPC200746
0.9423	High Similarity	NPC475784
0.9423	High Similarity	NPC228785
0.9419	High Similarity	NPC474836
0.9419	High Similarity	NPC472910
0.9419	High Similarity	NPC48208
0.9419	High Similarity	NPC136674
0.9419	High Similarity	NPC187745
0.9419	High Similarity	NPC222814
0.9419	High Similarity	NPC291508
0.9419	High Similarity	NPC473272
0.9419	High Similarity	NPC472913
0.9419	High Similarity	NPC472914
0.9419	High Similarity	NPC99597
0.9419	High Similarity	NPC472911
0.9419	High Similarity	NPC245758
0.9419	High Similarity	NPC96167
0.9419	High Similarity	NPC79053
0.9419	High Similarity	NPC161960
0.9419	High Similarity	NPC304008
0.9419	High Similarity	NPC156057
0.9419	High Similarity	NPC223787
0.9419	High Similarity	NPC162869
0.9419	High Similarity	NPC284820
0.9419	High Similarity	NPC27337
0.9419	High Similarity	NPC474208
0.9419	High Similarity	NPC475267
0.9419	High Similarity	NPC210084
0.9416	High Similarity	NPC4455
0.9416	High Similarity	NPC163780
0.9416	High Similarity	NPC196439
0.9416	High Similarity	NPC227325
0.9416	High Similarity	NPC167815
0.9416	High Similarity	NPC50715
0.9416	High Similarity	NPC201136
0.9416	High Similarity	NPC2928
0.9416	High Similarity	NPC134287
0.9416	High Similarity	NPC130589
0.9416	High Similarity	NPC146165
0.9416	High Similarity	NPC92659
0.9416	High Similarity	NPC208197
0.9416	High Similarity	NPC213622
0.9416	High Similarity	NPC183597
0.9416	High Similarity	NPC2476
0.9416	High Similarity	NPC138360
0.9416	High Similarity	NPC280339
0.9416	High Similarity	NPC128863
0.9416	High Similarity	NPC39184
0.9412	High Similarity	NPC275836
0.9412	High Similarity	NPC275722
0.9412	High Similarity	NPC301323
0.9412	High Similarity	NPC212678
0.9412	High Similarity	NPC83508
0.9412	High Similarity	NPC101996
0.9412	High Similarity	NPC39007
0.9412	High Similarity	NPC198826
0.9412	High Similarity	NPC162313
0.9412	High Similarity	NPC471982
0.9412	High Similarity	NPC25270
0.9412	High Similarity	NPC293183
0.9412	High Similarity	NPC156222
0.9412	High Similarity	NPC239128
0.9412	High Similarity	NPC256283
0.9412	High Similarity	NPC187498
0.9412	High Similarity	NPC241498
0.9412	High Similarity	NPC120537
0.9412	High Similarity	NPC57030
0.9412	High Similarity	NPC161277
0.9412	High Similarity	NPC131624
0.9412	High Similarity	NPC71334
0.9412	High Similarity	NPC166201
0.9412	High Similarity	NPC249570
0.9412	High Similarity	NPC188203
0.9412	High Similarity	NPC199100
0.9412	High Similarity	NPC60972
0.9412	High Similarity	NPC100887
0.9412	High Similarity	NPC222830
0.9412	High Similarity	NPC180234
0.9412	High Similarity	NPC39732
0.9412	High Similarity	NPC120163
0.9408	High Similarity	NPC61620
0.9408	High Similarity	NPC88804
0.9408	High Similarity	NPC248102
0.9408	High Similarity	NPC3825
0.9408	High Similarity	NPC45873
0.9408	High Similarity	NPC101957

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC167678 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	361
0.1-0.2	911
0.2-0.3	1621
0.3-0.4	2677
0.4-0.5	1898
0.5-0.6	1043
0.6-0.7	446
0.7-0.8	154
0.8-0.85	30
0.85-0.9	16
0.9-0.95	4
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.9477	High Similarity	NPD2801	Approved
0.9226	High Similarity	NPD2393	Clinical (unspecified phase)
0.9161	High Similarity	NPD1934	Approved
0.9013	High Similarity	NPD1511	Approved
0.8938	High Similarity	NPD5494	Approved
0.8896	High Similarity	NPD1512	Approved
0.8868	High Similarity	NPD3882	Suspended
0.8834	High Similarity	NPD6168	Clinical (unspecified phase)
0.8834	High Similarity	NPD6167	Clinical (unspecified phase)
0.8834	High Similarity	NPD6166	Phase 2
0.879	High Similarity	NPD4380	Phase 2
0.8727	High Similarity	NPD3818	Discontinued
0.871	High Similarity	NPD4378	Clinical (unspecified phase)
0.871	High Similarity	NPD7410	Clinical (unspecified phase)
0.869	High Similarity	NPD4338	Clinical (unspecified phase)
0.8675	High Similarity	NPD7054	Approved
0.8634	High Similarity	NPD4868	Clinical (unspecified phase)
0.8623	High Similarity	NPD7472	Approved
0.8623	High Similarity	NPD7074	Phase 3
0.8571	High Similarity	NPD3817	Phase 2
0.8466	Intermediate Similarity	NPD7075	Discontinued
0.8466	Intermediate Similarity	NPD4381	Clinical (unspecified phase)
0.8462	Intermediate Similarity	NPD6797	Phase 2
0.8452	Intermediate Similarity	NPD5844	Phase 1
0.8412	Intermediate Similarity	NPD7251	Discontinued
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	NPD7808	Phase 3
0.8333	Intermediate Similarity	NPD7473	Discontinued
0.8323	Intermediate Similarity	NPD1549	Phase 2
0.8313	Intermediate Similarity	NPD1247	Approved
0.8282	Intermediate Similarity	NPD7819	Suspended
0.8272	Intermediate Similarity	NPD7411	Suspended
0.8258	Intermediate Similarity	NPD1552	Clinical (unspecified phase)
0.8258	Intermediate Similarity	NPD1550	Clinical (unspecified phase)
0.8247	Intermediate Similarity	NPD1510	Phase 2
0.8235	Intermediate Similarity	NPD7804	Clinical (unspecified phase)
0.8232	Intermediate Similarity	NPD8443	Clinical (unspecified phase)
0.8232	Intermediate Similarity	NPD5402	Approved
0.8224	Intermediate Similarity	NPD943	Approved
0.8221	Intermediate Similarity	NPD6801	Discontinued
0.8194	Intermediate Similarity	NPD2796	Approved
0.814	Intermediate Similarity	NPD7993	Clinical (unspecified phase)
0.8105	Intermediate Similarity	NPD1240	Approved
0.8095	Intermediate Similarity	NPD6959	Discontinued
0.8077	Intermediate Similarity	NPD2935	Discontinued
0.8063	Intermediate Similarity	NPD6799	Approved
0.8024	Intermediate Similarity	NPD3749	Approved
0.8	Intermediate Similarity	NPD1607	Approved
0.7989	Intermediate Similarity	NPD6559	Discontinued
0.7987	Intermediate Similarity	NPD3750	Approved
0.7976	Intermediate Similarity	NPD919	Approved
0.7961	Intermediate Similarity	NPD1529	Clinical (unspecified phase)
0.7953	Intermediate Similarity	NPD7852	Clinical (unspecified phase)
0.7925	Intermediate Similarity	NPD2800	Approved
0.7895	Intermediate Similarity	NPD1530	Clinical (unspecified phase)
0.7895	Intermediate Similarity	NPD3926	Phase 2
0.7879	Intermediate Similarity	NPD6599	Discontinued
0.7877	Intermediate Similarity	NPD8397	Clinical (unspecified phase)
0.7857	Intermediate Similarity	NPD7768	Phase 2
0.7821	Intermediate Similarity	NPD447	Suspended
0.7805	Intermediate Similarity	NPD5403	Approved
0.779	Intermediate Similarity	NPD7879	Clinical (unspecified phase)
0.7756	Intermediate Similarity	NPD1613	Approved
0.7756	Intermediate Similarity	NPD1612	Clinical (unspecified phase)
0.775	Intermediate Similarity	NPD970	Clinical (unspecified phase)
0.7742	Intermediate Similarity	NPD2313	Discontinued
0.7711	Intermediate Similarity	NPD3226	Approved
0.7709	Intermediate Similarity	NPD8055	Clinical (unspecified phase)
0.7707	Intermediate Similarity	NPD230	Phase 1
0.7702	Intermediate Similarity	NPD1243	Approved
0.7702	Intermediate Similarity	NPD7421	Clinical (unspecified phase)
0.7697	Intermediate Similarity	NPD920	Approved
0.7697	Intermediate Similarity	NPD6980	Clinical (unspecified phase)
0.7688	Intermediate Similarity	NPD7501	Clinical (unspecified phase)
0.7688	Intermediate Similarity	NPD2346	Discontinued
0.7683	Intermediate Similarity	NPD2534	Approved
0.7683	Intermediate Similarity	NPD5401	Approved
0.7683	Intermediate Similarity	NPD2532	Approved
0.7683	Intermediate Similarity	NPD2533	Approved
0.7673	Intermediate Similarity	NPD3748	Approved
0.7673	Intermediate Similarity	NPD1509	Clinical (unspecified phase)
0.7673	Intermediate Similarity	NPD651	Clinical (unspecified phase)
0.7673	Intermediate Similarity	NPD2799	Discontinued
0.7657	Intermediate Similarity	NPD3751	Discontinued
0.7651	Intermediate Similarity	NPD1653	Approved
0.7625	Intermediate Similarity	NPD6099	Approved
0.7625	Intermediate Similarity	NPD6100	Approved
0.7578	Intermediate Similarity	NPD2344	Approved
0.7576	Intermediate Similarity	NPD642	Clinical (unspecified phase)
0.7564	Intermediate Similarity	NPD3027	Phase 3
0.7546	Intermediate Similarity	NPD6398	Clinical (unspecified phase)
0.7529	Intermediate Similarity	NPD3787	Discontinued
0.7528	Intermediate Similarity	NPD5953	Discontinued
0.7516	Intermediate Similarity	NPD1551	Phase 2
0.7515	Intermediate Similarity	NPD7390	Discontinued
0.7514	Intermediate Similarity	NPD7286	Phase 2
0.75	Intermediate Similarity	NPD6781	Approved
0.75	Intermediate Similarity	NPD6776	Approved
0.75	Intermediate Similarity	NPD6190	Approved
0.75	Intermediate Similarity	NPD6780	Approved
0.75	Intermediate Similarity	NPD6778	Approved
0.75	Intermediate Similarity	NPD6782	Approved
0.75	Intermediate Similarity	NPD6779	Approved
0.75	Intermediate Similarity	NPD6777	Approved
0.7486	Intermediate Similarity	NPD7685	Pre-registration
0.7484	Intermediate Similarity	NPD1933	Approved
0.7457	Intermediate Similarity	NPD6234	Discontinued
0.7455	Intermediate Similarity	NPD643	Clinical (unspecified phase)
0.7444	Intermediate Similarity	NPD4419	Clinical (unspecified phase)
0.7439	Intermediate Similarity	NPD1878	Clinical (unspecified phase)
0.7439	Intermediate Similarity	NPD4628	Phase 3
0.7438	Intermediate Similarity	NPD6651	Approved
0.7436	Intermediate Similarity	NPD9494	Approved
0.741	Intermediate Similarity	NPD6143	Clinical (unspecified phase)
0.7405	Intermediate Similarity	NPD6859	Clinical (unspecified phase)
0.7405	Intermediate Similarity	NPD4907	Clinical (unspecified phase)
0.7403	Intermediate Similarity	NPD8312	Approved
0.7403	Intermediate Similarity	NPD4379	Clinical (unspecified phase)
0.7403	Intermediate Similarity	NPD8313	Approved
0.7394	Intermediate Similarity	NPD2309	Approved
0.7382	Intermediate Similarity	NPD7435	Discontinued
0.7377	Intermediate Similarity	NPD8150	Discontinued
0.7371	Intermediate Similarity	NPD7199	Phase 2
0.7368	Intermediate Similarity	NPD6844	Discontinued
0.736	Intermediate Similarity	NPD7228	Approved
0.7358	Intermediate Similarity	NPD7584	Approved
0.7342	Intermediate Similarity	NPD4625	Phase 3
0.734	Intermediate Similarity	NPD8090	Clinical (unspecified phase)
0.7326	Intermediate Similarity	NPD4363	Phase 3
0.7326	Intermediate Similarity	NPD4360	Phase 2
0.7308	Intermediate Similarity	NPD1203	Approved
0.7292	Intermediate Similarity	NPD7697	Approved
0.7292	Intermediate Similarity	NPD7696	Phase 3
0.7292	Intermediate Similarity	NPD7698	Approved
0.7288	Intermediate Similarity	NPD7184	Clinical (unspecified phase)
0.7283	Intermediate Similarity	NPD8434	Phase 2
0.7278	Intermediate Similarity	NPD4908	Phase 1
0.7267	Intermediate Similarity	NPD37	Approved
0.7262	Intermediate Similarity	NPD7422	Clinical (unspecified phase)
0.7261	Intermediate Similarity	NPD2798	Approved
0.7254	Intermediate Similarity	NPD7870	Phase 2
0.7254	Intermediate Similarity	NPD7871	Phase 2
0.7253	Intermediate Similarity	NPD7549	Discontinued
0.7241	Intermediate Similarity	NPD4967	Phase 2
0.7241	Intermediate Similarity	NPD4966	Approved
0.7241	Intermediate Similarity	NPD4965	Approved
0.724	Intermediate Similarity	NPD6823	Phase 2
0.7239	Intermediate Similarity	NPD4308	Phase 3
0.7234	Intermediate Similarity	NPD6535	Approved
0.7234	Intermediate Similarity	NPD6534	Approved
0.7232	Intermediate Similarity	NPD5710	Approved
0.7232	Intermediate Similarity	NPD5711	Approved
0.7231	Intermediate Similarity	NPD7701	Phase 2
0.7226	Intermediate Similarity	NPD9269	Phase 2
0.7208	Intermediate Similarity	NPD7782	Clinical (unspecified phase)
0.7208	Intermediate Similarity	NPD7783	Phase 2
0.7194	Intermediate Similarity	NPD8151	Discontinued
0.7191	Intermediate Similarity	NPD5242	Approved
0.7188	Intermediate Similarity	NPD3268	Approved
0.7161	Intermediate Similarity	NPD1547	Clinical (unspecified phase)
0.716	Intermediate Similarity	NPD5123	Clinical (unspecified phase)
0.716	Intermediate Similarity	NPD5124	Phase 1
0.7157	Intermediate Similarity	NPD7875	Clinical (unspecified phase)
0.7157	Intermediate Similarity	NPD7874	Approved
0.7134	Intermediate Similarity	NPD7033	Discontinued
0.7121	Intermediate Similarity	NPD7801	Approved
0.712	Intermediate Similarity	NPD7700	Phase 2
0.712	Intermediate Similarity	NPD7699	Phase 2
0.7115	Intermediate Similarity	NPD9717	Approved
0.7112	Intermediate Similarity	NPD4287	Approved
0.711	Intermediate Similarity	NPD7615	Clinical (unspecified phase)
0.7108	Intermediate Similarity	NPD2424	Discontinued
0.7093	Intermediate Similarity	NPD7458	Discontinued
0.7093	Intermediate Similarity	NPD5808	Clinical (unspecified phase)
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	NPD5353	Approved
0.7086	Intermediate Similarity	NPD4288	Approved
0.707	Intermediate Similarity	NPD4749	Approved
0.7063	Intermediate Similarity	NPD6832	Phase 2
0.7059	Intermediate Similarity	NPD7004	Clinical (unspecified phase)
0.7056	Intermediate Similarity	NPD2403	Approved
0.7055	Intermediate Similarity	NPD1899	Clinical (unspecified phase)
0.7052	Intermediate Similarity	NPD6585	Discontinued
0.7051	Intermediate Similarity	NPD1610	Phase 2
0.7051	Intermediate Similarity	NPD422	Phase 1
0.7044	Intermediate Similarity	NPD2899	Discontinued
0.7039	Intermediate Similarity	NPD7229	Phase 3
0.7025	Intermediate Similarity	NPD3225	Approved
0.7018	Intermediate Similarity	NPD5049	Phase 3
0.7016	Intermediate Similarity	NPD4362	Clinical (unspecified phase)
0.7016	Intermediate Similarity	NPD4361	Phase 2
0.7013	Intermediate Similarity	NPD1548	Phase 1
0.7011	Intermediate Similarity	NPD6385	Approved

Structure

NPC167678 OpenBabel07101718192D 29 32 0 0 0 0 0 0 0 0999 V2000 -1.7321 3.0000 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 -1.0000 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5000 -1.8660 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 0.0000 2.0000 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 -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 0.5000 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 6.0622 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 1.7321 0.0000 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 5.1962 -0.0000 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 2.0000 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 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 2.5981 0.5000 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 6.9282 2.0000 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 1.7321 3.0000 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 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 11 1 0 0 0 0 2 11 1 0 0 0 0 3 23 1 0 0 0 0 4 23 1 0 0 0 0 5 6 1 0 0 0 0 5 11 2 0 0 0 0 6 13 1 0 0 0 0 7 8 2 0 0 0 0 7 14 1 0 0 0 0 8 23 1 0 0 0 0 9 12 2 0 0 0 0 9 15 1 0 0 0 0 10 12 1 0 0 0 0 10 16 2 0 0 0 0 12 24 1 0 0 0 0 13 18 2 0 0 0 0 13 20 1 0 0 0 0 14 20 2 0 0 0 0 14 22 1 0 0 0 0 15 19 1 0 0 0 0 15 21 2 0 0 0 0 16 21 1 0 0 0 0 16 25 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 22 2 0 0 0 0 18 26 1 0 0 0 0 19 27 2 0 0 0 0 20 29 1 0 0 0 0 21 28 1 0 0 0 0 22 28 1 0 0 0 0 23 29 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	44517665
ChEMBL	CHEMBL557663
ZINC

Physicochemical Properties

Molecular Weight:	394.14
ALogP:	0.9864
MLogP:	3.33
XLogP:	2.521
# Rotatable Bonds:	9
Polar Surface Area:	96.22
# H-Bond Aceptor:	1
# H-Bond Donor:	3
# Rings:	4
# Heavy Atoms:	29

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