NPASS Natural Product

Natural Product: NPC188879

Natural Product ID:	NPC188879
Common Name:	4-Hydroxycordoin
IUPAC Name:	(E)-1-[2-hydroxy-4-(3-methylbut-2-enoxy)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
Synonyms:	4-Hydroxycordoin; P-Hydroxy-Cordoin
Molecular Formula:	C20H20O4
Standard InCHIKey:	SFXYAAFUXNWNQF-BJMVGYQFSA-N
Standard InCHI:	InChI=1S/C20H20O4/c1-14(2)11-12-24-17-8-9-18(20(23)13-17)19(22)10-5-15-3-6-16(21)7-4-15/h3-11,13,21,23H,12H2,1-2H3/b10-5+
Canonical SMILES:	CC(=CCOc1ccc(c(c1)O)C(=O)/C=C/c1ccc(cc1)O)C
First Find Year:
Max Developmental Stage:
Synthetic Gene Cluster:	;

Species Source

Organism ID	Organism Name	Taxonomy Level	Family	SuperKingdom	Reference
NPO9686	Lonchocarpus neuroscapha	Species	Fabaceae	Eukaryota	PMID[21158427]
NPO4615	Prosopis alba	Species	Fabaceae	Eukaryota	UNPD*
NPO2314	Endiandra palmerstonii	Species	Lauraceae	Eukaryota	UNPD*
NPO26305	Zanthoxylum rhetsum	Species	Rutaceae	Eukaryota	UNPD*

Biological Activity

Activity Type	# Activity
IC50	6
MIC	7
Others	24

Activity Type	# Activity
Cell Line	9
Individual Protein	7
Organism	13
Others	8

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT314	Organism	Bacillus cereus	Bacillus cereus	MIC	=	1000	ug/ml	18951808
NPT314	Organism	Bacillus cereus	Bacillus cereus	MBC	=	1000	ug/ml	18951808
NPT19	Organism	Escherichia coli	Escherichia coli	MIC	=	2000	ug/ml	18951808
NPT19	Organism	Escherichia coli	Escherichia coli	MBC	>	2000	ug/ml	18951808
NPT18	Organism	Pseudomonas aeruginosa	Pseudomonas aeruginosa	MIC	=	2000	ug/ml	18951808
NPT18	Organism	Pseudomonas aeruginosa	Pseudomonas aeruginosa	MBC	=	2000	ug/ml	18951808
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MIC	=	2000	ug/ml	18951808
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MBC	=	2000	ug/ml	18951808
NPT2	Others	Unspecified		MIC	=	5	ug/ml	21158427
NPT1484	Organism	Fusobacterium nucleatum	Fusobacterium nucleatum	MIC	=	40	ug/ml	21158427
NPT1128	Organism	Prevotella intermedia	Prevotella intermedia	MIC	=	2.5	ug/ml	21158427
NPT2	Others	Unspecified		MBC	=	10	ug/ml	21158427
NPT1484	Organism	Fusobacterium nucleatum	Fusobacterium nucleatum	MBC	>	40	ug/ml	21158427
NPT1128	Organism	Prevotella intermedia	Prevotella intermedia	MBC	=	5	ug/ml	21158427
NPT1128	Organism	Prevotella intermedia	Prevotella intermedia	Activity	=	45	%	21158427
NPT2	Others	Unspecified		Inhibition	=	31	%	21158427
NPT2	Others	Unspecified		Inhibition	=	36	%	21158427
NPT466	Cell Line	U-937	Homo sapiens	Inhibition	=	29	%	21158427
NPT466	Cell Line	U-937	Homo sapiens	Inhibition	=	38	%	21158427
NPT466	Cell Line	U-937	Homo sapiens	Inhibition	=	23	%	21158427
NPT466	Cell Line	U-937	Homo sapiens	Inhibition	=	50	%	21158427
NPT466	Cell Line	U-937	Homo sapiens	Inhibition	=	67	%	21158427
NPT2	Others	Unspecified		IC50	=	87000	nM	21696954
NPT2	Others	Unspecified		IC50	=	58000	nM	21696954
NPT81	Cell Line	A549	Homo sapiens	IC50	=	66000	nM	21696954
NPT306	Cell Line	PC-3	Homo sapiens	IC50	>	100000	nM	21696954
NPT170	Cell Line	SK-MEL-28	Homo sapiens	IC50	>	100000	nM	21696954
NPT114	Cell Line	LoVo	Homo sapiens	IC50	=	57000	nM	21696954
NPT2	Others	Unspecified		GI	=	70	%	21696954
NPT2	Others	Unspecified		Activity	=	17	%	21696954
NPT540	Individual Protein	Bile acid receptor FXR	Homo sapiens	FC	=	0.712		22472691
NPT540	Individual Protein	Bile acid receptor FXR	Homo sapiens	FC	=	0.757		22472691
NPT540	Individual Protein	Bile acid receptor FXR	Homo sapiens	FC	=	0.822		22472691
NPT540	Individual Protein	Bile acid receptor FXR	Homo sapiens	FC	=	0.877		22472691
NPT540	Individual Protein	Bile acid receptor FXR	Homo sapiens	FC	=	1.269		22472691
NPT540	Individual Protein	Bile acid receptor FXR	Homo sapiens	FC	=	1.929		22472691
NPT540	Individual Protein	Bile acid receptor FXR	Homo sapiens	FC	=	4.827		22472691

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 NPC188879 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	227
0.1-0.2	1110
0.2-0.3	2491
0.3-0.4	6122
0.4-0.5	7029
0.5-0.6	2398
0.6-0.7	4140
0.7-0.8	4021
0.8-0.85	1573
0.85-0.9	1154
0.9-0.95	547
0.95-1	77

Similarity Score	Similarity Level	Natural Product ID
0.9924	High Similarity	NPC240593
0.9924	High Similarity	NPC124269
0.9774	High Similarity	NPC99333
0.9774	High Similarity	NPC280284
0.9774	High Similarity	NPC188947
0.9699	High Similarity	NPC275055
0.9699	High Similarity	NPC266597
0.9699	High Similarity	NPC290291
0.9699	High Similarity	NPC250266
0.9695	High Similarity	NPC192304
0.9695	High Similarity	NPC312318
0.9695	High Similarity	NPC263670
0.9695	High Similarity	NPC472365
0.9695	High Similarity	NPC175098
0.9695	High Similarity	NPC337373
0.9695	High Similarity	NPC188646
0.9695	High Similarity	NPC242294
0.9695	High Similarity	NPC56031
0.9695	High Similarity	NPC139813
0.963	High Similarity	NPC6407
0.963	High Similarity	NPC284550
0.963	High Similarity	NPC76445
0.963	High Similarity	NPC129853
0.963	High Similarity	NPC110228
0.963	High Similarity	NPC188243
0.9624	High Similarity	NPC13408
0.9624	High Similarity	NPC124784
0.9624	High Similarity	NPC29353
0.9624	High Similarity	NPC473887
0.9624	High Similarity	NPC194281
0.9624	High Similarity	NPC234133
0.9624	High Similarity	NPC47815
0.9624	High Similarity	NPC231772
0.9624	High Similarity	NPC127447
0.9621	High Similarity	NPC286336
0.9618	High Similarity	NPC212631
0.9618	High Similarity	NPC203817
0.9618	High Similarity	NPC257756
0.9618	High Similarity	NPC129132
0.9618	High Similarity	NPC205468
0.9618	High Similarity	NPC87231
0.9562	High Similarity	NPC143896
0.9562	High Similarity	NPC221432
0.9562	High Similarity	NPC164980
0.9562	High Similarity	NPC75049
0.9562	High Similarity	NPC149026
0.9562	High Similarity	NPC310130
0.9562	High Similarity	NPC169591
0.9562	High Similarity	NPC68104
0.9562	High Similarity	NPC39329
0.9562	High Similarity	NPC91560
0.9562	High Similarity	NPC175504
0.9562	High Similarity	NPC257097
0.9562	High Similarity	NPC150408
0.9559	High Similarity	NPC110969
0.9559	High Similarity	NPC3188
0.9556	High Similarity	NPC20709
0.9556	High Similarity	NPC225153
0.9556	High Similarity	NPC140890
0.9556	High Similarity	NPC310135
0.9556	High Similarity	NPC261234
0.9556	High Similarity	NPC222342
0.9556	High Similarity	NPC329203
0.9556	High Similarity	NPC150648
0.9556	High Similarity	NPC265871
0.9556	High Similarity	NPC274784
0.9545	High Similarity	NPC18877
0.9545	High Similarity	NPC82225
0.9545	High Similarity	NPC294593
0.9545	High Similarity	NPC159623
0.9545	High Similarity	NPC204960
0.9545	High Similarity	NPC20560
0.9545	High Similarity	NPC144051
0.9545	High Similarity	NPC28753
0.9542	High Similarity	NPC262359
0.9542	High Similarity	NPC308037
0.9542	High Similarity	NPC64359
0.9493	High Similarity	NPC236766
0.9493	High Similarity	NPC473015
0.9493	High Similarity	NPC209040
0.9493	High Similarity	NPC473013
0.9493	High Similarity	NPC197252
0.9489	High Similarity	NPC1089
0.9489	High Similarity	NPC125855
0.9489	High Similarity	NPC182852
0.9489	High Similarity	NPC107572
0.9489	High Similarity	NPC324134
0.9489	High Similarity	NPC306829
0.9489	High Similarity	NPC11561
0.9489	High Similarity	NPC32739
0.9489	High Similarity	NPC161506
0.9489	High Similarity	NPC226636
0.9489	High Similarity	NPC37496
0.9489	High Similarity	NPC76372
0.9489	High Similarity	NPC167624
0.9489	High Similarity	NPC220998
0.9489	High Similarity	NPC76338
0.9489	High Similarity	NPC227579
0.9489	High Similarity	NPC78
0.9489	High Similarity	NPC324436
0.9489	High Similarity	NPC166482
0.9489	High Similarity	NPC194432
0.9489	High Similarity	NPC223500
0.9489	High Similarity	NPC328164
0.9489	High Similarity	NPC10937
0.9489	High Similarity	NPC265040
0.9489	High Similarity	NPC177354
0.9489	High Similarity	NPC166934
0.9489	High Similarity	NPC228504
0.9489	High Similarity	NPC296917
0.9489	High Similarity	NPC148757
0.9489	High Similarity	NPC66515
0.9489	High Similarity	NPC40833
0.9489	High Similarity	NPC202981
0.9489	High Similarity	NPC64915
0.9485	High Similarity	NPC270883
0.9485	High Similarity	NPC269652
0.9485	High Similarity	NPC261227
0.9485	High Similarity	NPC241100
0.9485	High Similarity	NPC69769
0.9485	High Similarity	NPC159275
0.9485	High Similarity	NPC281207
0.9485	High Similarity	NPC172986
0.9481	High Similarity	NPC147686
0.9481	High Similarity	NPC472460
0.9481	High Similarity	NPC329225
0.9481	High Similarity	NPC118813
0.9478	High Similarity	NPC186838
0.9478	High Similarity	NPC477243
0.9478	High Similarity	NPC187826
0.9478	High Similarity	NPC473391
0.9478	High Similarity	NPC66349
0.9478	High Similarity	NPC472367
0.9478	High Similarity	NPC98115
0.9478	High Similarity	NPC472364
0.9478	High Similarity	NPC168105
0.9478	High Similarity	NPC477242
0.9478	High Similarity	NPC477244
0.9478	High Similarity	NPC476333
0.9478	High Similarity	NPC274109
0.9478	High Similarity	NPC1486
0.9478	High Similarity	NPC41461
0.9478	High Similarity	NPC25287
0.9478	High Similarity	NPC249606
0.9478	High Similarity	NPC150399
0.9478	High Similarity	NPC12165
0.9474	High Similarity	NPC144027
0.9474	High Similarity	NPC125269
0.9474	High Similarity	NPC172262
0.9474	High Similarity	NPC236974
0.947	High Similarity	NPC10971
0.9424	High Similarity	NPC299011
0.9424	High Similarity	NPC130176
0.9424	High Similarity	NPC99454
0.942	High Similarity	NPC316816
0.942	High Similarity	NPC81697
0.942	High Similarity	NPC107177
0.942	High Similarity	NPC106985
0.942	High Similarity	NPC223812
0.942	High Similarity	NPC125894
0.942	High Similarity	NPC278249
0.942	High Similarity	NPC214166
0.942	High Similarity	NPC77794
0.942	High Similarity	NPC185276
0.942	High Similarity	NPC85162
0.942	High Similarity	NPC478086
0.942	High Similarity	NPC166138
0.942	High Similarity	NPC18585
0.9416	High Similarity	NPC324386
0.9416	High Similarity	NPC282300
0.9416	High Similarity	NPC90582
0.9416	High Similarity	NPC262094
0.9416	High Similarity	NPC96408
0.9416	High Similarity	NPC279650
0.9416	High Similarity	NPC248372
0.9416	High Similarity	NPC166689
0.9416	High Similarity	NPC258630
0.9416	High Similarity	NPC312391
0.9416	High Similarity	NPC110038
0.9416	High Similarity	NPC205006
0.9416	High Similarity	NPC103362
0.9416	High Similarity	NPC147688
0.9416	High Similarity	NPC17170
0.9416	High Similarity	NPC156590
0.9416	High Similarity	NPC213322
0.9416	High Similarity	NPC136840
0.9416	High Similarity	NPC64908
0.9416	High Similarity	NPC118840
0.9416	High Similarity	NPC156190
0.9416	High Similarity	NPC4743
0.9412	High Similarity	NPC303633
0.9412	High Similarity	NPC217186
0.9412	High Similarity	NPC18260
0.9412	High Similarity	NPC23257
0.9412	High Similarity	NPC143799
0.9412	High Similarity	NPC152042
0.9412	High Similarity	NPC241838
0.9412	High Similarity	NPC220062
0.9412	High Similarity	NPC96565
0.9412	High Similarity	NPC78913

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC188879 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	245
0.1-0.2	900
0.2-0.3	1398
0.3-0.4	2365
0.4-0.5	2140
0.5-0.6	1285
0.6-0.7	575
0.7-0.8	177
0.8-0.85	46
0.85-0.9	20
0.9-0.95	10
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.9481	High Similarity	NPD1549	Phase 2
0.9407	High Similarity	NPD1552	Clinical (unspecified phase)
0.9407	High Similarity	NPD1550	Clinical (unspecified phase)
0.9394	High Similarity	NPD1240	Approved
0.9259	High Similarity	NPD1510	Phase 2
0.9254	High Similarity	NPD1607	Approved
0.9214	High Similarity	NPD4378	Clinical (unspecified phase)
0.9191	High Similarity	NPD2796	Approved
0.9143	High Similarity	NPD6799	Approved
0.9078	High Similarity	NPD7410	Clinical (unspecified phase)
0.8966	High Similarity	NPD7411	Suspended
0.8851	High Similarity	NPD3882	Suspended
0.8844	High Similarity	NPD2393	Clinical (unspecified phase)
0.8815	High Similarity	NPD6859	Clinical (unspecified phase)
0.8792	High Similarity	NPD7075	Discontinued
0.8784	High Similarity	NPD8443	Clinical (unspecified phase)
0.8777	High Similarity	NPD1551	Phase 2
0.8776	High Similarity	NPD1934	Approved
0.8767	High Similarity	NPD4380	Phase 2
0.8767	High Similarity	NPD6599	Discontinued
0.8741	High Similarity	NPD1511	Approved
0.8716	High Similarity	NPD2801	Approved
0.8716	High Similarity	NPD7819	Suspended
0.8716	High Similarity	NPD7096	Clinical (unspecified phase)
0.8667	High Similarity	NPD4381	Clinical (unspecified phase)
0.8649	High Similarity	NPD6801	Discontinued
0.8621	High Similarity	NPD1512	Approved
0.8592	High Similarity	NPD7421	Clinical (unspecified phase)
0.8531	High Similarity	NPD3750	Approved
0.8521	High Similarity	NPD970	Clinical (unspecified phase)
0.8477	Intermediate Similarity	NPD7768	Phase 2
0.8452	Intermediate Similarity	NPD7852	Clinical (unspecified phase)
0.8444	Intermediate Similarity	NPD1203	Approved
0.8435	Intermediate Similarity	NPD5403	Approved
0.8411	Intermediate Similarity	NPD3817	Phase 2
0.8403	Intermediate Similarity	NPD1878	Clinical (unspecified phase)
0.8394	Intermediate Similarity	NPD6832	Phase 2
0.8333	Intermediate Similarity	NPD6166	Phase 2
0.8333	Intermediate Similarity	NPD2800	Approved
0.8333	Intermediate Similarity	NPD6167	Clinical (unspecified phase)
0.8333	Intermediate Similarity	NPD6168	Clinical (unspecified phase)
0.8322	Intermediate Similarity	NPD2344	Approved
0.8301	Intermediate Similarity	NPD3749	Approved
0.8299	Intermediate Similarity	NPD5401	Approved
0.8298	Intermediate Similarity	NPD6651	Approved
0.8258	Intermediate Similarity	NPD6959	Discontinued
0.8252	Intermediate Similarity	NPD2935	Discontinued
0.8228	Intermediate Similarity	NPD3818	Discontinued
0.8222	Intermediate Similarity	NPD9717	Approved
0.8207	Intermediate Similarity	NPD1243	Approved
0.8188	Intermediate Similarity	NPD920	Approved
0.8187	Intermediate Similarity	NPD5953	Discontinued
0.8182	Intermediate Similarity	NPD2799	Discontinued
0.8182	Intermediate Similarity	NPD3748	Approved
0.8176	Intermediate Similarity	NPD7054	Approved
0.8176	Intermediate Similarity	NPD7286	Phase 2
0.8176	Intermediate Similarity	NPD7804	Clinical (unspecified phase)
0.8163	Intermediate Similarity	NPD643	Clinical (unspecified phase)
0.8151	Intermediate Similarity	NPD4628	Phase 3
0.8148	Intermediate Similarity	NPD1547	Clinical (unspecified phase)
0.8125	Intermediate Similarity	NPD7472	Approved
0.8125	Intermediate Similarity	NPD7074	Phase 3
0.812	Intermediate Similarity	NPD1548	Phase 1
0.8117	Intermediate Similarity	NPD4868	Clinical (unspecified phase)
0.8095	Intermediate Similarity	NPD2309	Approved
0.8077	Intermediate Similarity	NPD5494	Approved
0.8075	Intermediate Similarity	NPD6797	Phase 2
0.8054	Intermediate Similarity	NPD2532	Approved
0.8054	Intermediate Similarity	NPD2534	Approved
0.8054	Intermediate Similarity	NPD2533	Approved
0.8054	Intermediate Similarity	NPD642	Clinical (unspecified phase)
0.8052	Intermediate Similarity	NPD5402	Approved
0.8028	Intermediate Similarity	NPD943	Approved
0.8025	Intermediate Similarity	NPD7251	Discontinued
0.8015	Intermediate Similarity	NPD422	Phase 1
0.8	Intermediate Similarity	NPD4908	Phase 1
0.7985	Intermediate Similarity	NPD9545	Approved
0.7975	Intermediate Similarity	NPD7808	Phase 3
0.7975	Intermediate Similarity	NPD4419	Clinical (unspecified phase)
0.7959	Intermediate Similarity	NPD2654	Approved
0.7931	Intermediate Similarity	NPD7033	Discontinued
0.7914	Intermediate Similarity	NPD6559	Discontinued
0.7887	Intermediate Similarity	NPD3268	Approved
0.7887	Intermediate Similarity	NPD2313	Discontinued
0.7887	Intermediate Similarity	NPD4907	Clinical (unspecified phase)
0.7883	Intermediate Similarity	NPD1610	Phase 2
0.7879	Intermediate Similarity	NPD1241	Discontinued
0.7877	Intermediate Similarity	NPD6099	Approved
0.7877	Intermediate Similarity	NPD6100	Approved
0.7866	Intermediate Similarity	NPD4338	Clinical (unspecified phase)
0.7862	Intermediate Similarity	NPD6232	Discontinued
0.7857	Intermediate Similarity	NPD2798	Approved
0.7847	Intermediate Similarity	NPD1899	Clinical (unspecified phase)
0.7836	Intermediate Similarity	NPD9493	Approved
0.7826	Intermediate Similarity	NPD3972	Approved
0.7826	Intermediate Similarity	NPD7473	Discontinued
0.7812	Intermediate Similarity	NPD3926	Phase 2
0.7808	Intermediate Similarity	NPD1509	Clinical (unspecified phase)
0.7786	Intermediate Similarity	NPD2797	Approved
0.7785	Intermediate Similarity	NPD919	Approved
0.773	Intermediate Similarity	NPD5844	Phase 1
0.773	Intermediate Similarity	NPD1019	Discontinued
0.7727	Intermediate Similarity	NPD3226	Approved
0.7724	Intermediate Similarity	NPD1933	Approved
0.7724	Intermediate Similarity	NPD230	Phase 1
0.7714	Intermediate Similarity	NPD3225	Approved
0.7688	Intermediate Similarity	NPD1247	Approved
0.7687	Intermediate Similarity	NPD4308	Phase 3
0.7683	Intermediate Similarity	NPD1729	Discontinued
0.7667	Intermediate Similarity	NPD6398	Clinical (unspecified phase)
0.7639	Intermediate Similarity	NPD411	Approved
0.7636	Intermediate Similarity	NPD7993	Clinical (unspecified phase)
0.7603	Intermediate Similarity	NPD447	Suspended
0.7597	Intermediate Similarity	NPD6980	Clinical (unspecified phase)
0.759	Intermediate Similarity	NPD6104	Discontinued
0.7584	Intermediate Similarity	NPD2346	Discontinued
0.7571	Intermediate Similarity	NPD1608	Approved
0.7535	Intermediate Similarity	NPD3266	Approved
0.7535	Intermediate Similarity	NPD3267	Approved
0.7534	Intermediate Similarity	NPD3140	Approved
0.7534	Intermediate Similarity	NPD3142	Approved
0.7532	Intermediate Similarity	NPD1465	Phase 2
0.7529	Intermediate Similarity	NPD8090	Clinical (unspecified phase)
0.7517	Intermediate Similarity	NPD6798	Discontinued
0.7517	Intermediate Similarity	NPD1296	Phase 2
0.7516	Intermediate Similarity	NPD7390	Discontinued
0.7516	Intermediate Similarity	NPD7615	Clinical (unspecified phase)
0.7514	Intermediate Similarity	NPD4363	Phase 3
0.7514	Intermediate Similarity	NPD4360	Phase 2
0.7484	Intermediate Similarity	NPD4288	Approved
0.7484	Intermediate Similarity	NPD2296	Approved
0.7483	Intermediate Similarity	NPD5124	Phase 1
0.7483	Intermediate Similarity	NPD5123	Clinical (unspecified phase)
0.7471	Intermediate Similarity	NPD4361	Phase 2
0.7471	Intermediate Similarity	NPD4362	Clinical (unspecified phase)
0.7468	Intermediate Similarity	NPD4661	Approved
0.7468	Intermediate Similarity	NPD7004	Clinical (unspecified phase)
0.7468	Intermediate Similarity	NPD4662	Approved
0.7464	Intermediate Similarity	NPD1894	Discontinued
0.745	Intermediate Similarity	NPD651	Clinical (unspecified phase)
0.7447	Intermediate Similarity	NPD1481	Phase 2
0.7439	Intermediate Similarity	NPD7784	Clinical (unspecified phase)
0.7423	Intermediate Similarity	NPD5711	Approved
0.7423	Intermediate Similarity	NPD5710	Approved
0.7415	Intermediate Similarity	NPD1612	Clinical (unspecified phase)
0.7415	Intermediate Similarity	NPD1613	Approved
0.7415	Intermediate Similarity	NPD4307	Phase 2
0.7397	Intermediate Similarity	NPD3764	Approved
0.7389	Intermediate Similarity	NPD7458	Discontinued
0.7386	Intermediate Similarity	NPD2354	Approved
0.7386	Intermediate Similarity	NPD3887	Approved
0.7379	Intermediate Similarity	NPD1529	Clinical (unspecified phase)
0.7376	Intermediate Similarity	NPD1535	Discovery
0.7365	Intermediate Similarity	NPD6355	Discontinued
0.7358	Intermediate Similarity	NPD6279	Approved
0.7358	Intermediate Similarity	NPD6844	Discontinued
0.7358	Intermediate Similarity	NPD6280	Approved
0.7357	Intermediate Similarity	NPD17	Approved
0.7351	Intermediate Similarity	NPD2343	Clinical (unspecified phase)
0.7351	Intermediate Similarity	NPD1471	Phase 3
0.7349	Intermediate Similarity	NPD3751	Discontinued
0.7347	Intermediate Similarity	NPD6233	Phase 2
0.7343	Intermediate Similarity	NPD1876	Approved
0.7338	Intermediate Similarity	NPD7440	Discontinued
0.7329	Intermediate Similarity	NPD3027	Phase 3
0.7329	Intermediate Similarity	NPD4625	Phase 3
0.731	Intermediate Similarity	NPD9494	Approved
0.731	Intermediate Similarity	NPD1530	Clinical (unspecified phase)
0.7303	Intermediate Similarity	NPD7501	Clinical (unspecified phase)
0.7296	Intermediate Similarity	NPD5889	Approved
0.7296	Intermediate Similarity	NPD5890	Approved
0.7292	Intermediate Similarity	NPD1470	Approved
0.7292	Intermediate Similarity	NPD1164	Approved
0.729	Intermediate Similarity	NPD6143	Clinical (unspecified phase)
0.7284	Intermediate Similarity	NPD6971	Discontinued
0.7283	Intermediate Similarity	NPD4287	Approved
0.7278	Intermediate Similarity	NPD5808	Clinical (unspecified phase)
0.7273	Intermediate Similarity	NPD4379	Clinical (unspecified phase)
0.7273	Intermediate Similarity	NPD4749	Approved
0.726	Intermediate Similarity	NPD1008	Clinical (unspecified phase)
0.7256	Intermediate Similarity	NPD7199	Phase 2
0.7255	Intermediate Similarity	NPD1652	Phase 2
0.7254	Intermediate Similarity	NPD1201	Approved
0.725	Intermediate Similarity	NPD7577	Discontinued
0.7246	Intermediate Similarity	NPD7893	Clinical (unspecified phase)
0.7239	Intermediate Similarity	NPD74	Approved
0.7239	Intermediate Similarity	NPD9266	Approved
0.7237	Intermediate Similarity	NPD2355	Clinical (unspecified phase)
0.7237	Intermediate Similarity	NPD2353	Approved
0.7234	Intermediate Similarity	NPD1778	Approved
0.723	Intermediate Similarity	NPD4062	Phase 3
0.7229	Intermediate Similarity	NPD2403	Approved
0.7212	Intermediate Similarity	NPD3787	Discontinued
0.7212	Intermediate Similarity	NPD7229	Phase 3
0.7212	Intermediate Similarity	NPD6808	Phase 2
0.7208	Intermediate Similarity	NPD7003	Approved
0.72	Intermediate Similarity	NPD7879	Clinical (unspecified phase)
0.7197	Intermediate Similarity	NPD5049	Phase 3
0.7192	Intermediate Similarity	NPD2861	Phase 2
0.7179	Intermediate Similarity	NPD7212	Phase 2

Structure

CID188879 OpenBabel06191715572D 24 25 0 0 0 0 0 0 0 0999 V2000 5.1962 -1.0000 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 -4.3301 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4641 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 -5.1962 -1.0000 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 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 -1.7321 -1.0000 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 -0.0000 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 5.1962 -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 -5.1962 0.0000 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 -0.0000 -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 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0622 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 0.5000 0.0000 O 0 0 0 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 1 14 1 0 0 0 0 2 14 1 0 0 0 0 3 6 1 0 0 0 0 3 15 2 0 0 0 0 4 7 2 0 0 0 0 4 15 1 0 0 0 0 5 10 2 0 0 0 0 5 15 1 0 0 0 0 6 16 2 0 0 0 0 7 16 1 0 0 0 0 8 9 2 0 0 0 0 8 17 1 0 0 0 0 9 18 1 0 0 0 0 10 19 1 0 0 0 0 11 12 1 0 0 0 0 11 14 2 0 0 0 0 12 24 1 0 0 0 0 13 17 2 0 0 0 0 13 20 1 0 0 0 0 16 21 1 0 0 0 0 17 24 1 0 0 0 0 18 19 1 0 0 0 0 18 20 2 0 0 0 0 19 22 2 0 0 0 0 20 23 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	5879763
ChEMBL	CHEMBL460400
ZINC

Physicochemical Properties

Molecular Weight:	324.14
ALogP:	0.5904
MLogP:	3.22
XLogP:	4.484
# Rotatable Bonds:	10
Polar Surface Area:	66.76
# H-Bond Aceptor:	1
# H-Bond Donor:	2
# Rings:	2
# Heavy Atoms:	24

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