NPASS Natural Product

Natural Product: NPC55470

Natural Product ID:	NPC55470
Common Name:	Cepharadione A
IUPAC Name:
Synonyms:
Molecular Formula:	C18H11NO4
Standard InCHIKey:	RZIGKFTVXWUUCX-UHFFFAOYSA-N
Standard InCHI:	InChI=1S/C18H11NO4/c1-19-12-6-9-4-2-3-5-10(9)15-14(12)11(16(20)18(19)21)7-13-17(15)23-8-22-13/h2-7H,8H2,1H3
Canonical SMILES:	Cn1c2cc3ccccc3c3c2c(c(=O)c1=O)cc1c3OCO1
First Find Year:
Max Developmental Stage:
Synthetic Gene Cluster:	;

Species Source

Organism ID	Organism Name	Taxonomy Level	Family	SuperKingdom	Reference
NPO21410	Populus balsamifera	Species	Salicaceae	Eukaryota	UNPD*
NPO20965	Oxytropis lanata	Species	Fabaceae	Eukaryota	UNPD*
NPO28938	Artemisia coerulescens	Species	Asteraceae	Eukaryota	UNPD*
NPO18333	Sphaerophysa salsula	Species	Fabaceae	Eukaryota	UNPD*
NPO22181	Leibnitzia anandria	Species	Asteraceae	Eukaryota	UNPD*
NPO26094	Stolonica socialis	Species	Styelidae	Eukaryota	UNPD*
NPO22498	Lithocarpus haipinii	Species	Fagaceae	Eukaryota	UNPD*
NPO22629	Spongia vaginalis	Species	Spongiidae	Eukaryota	UNPD*
NPO22436	Lora quadra	NA	NA	NA	UNPD*
NPO26195	Tephrosia crassifolia	Species	Geometridae	Eukaryota	UNPD*
NPO21780	Strychnos gossweileri	Species	Loganiaceae	Eukaryota	UNPD*
NPO19668.1	Euphorbia characias subsp. wulfenii	Subspecies	Euphorbiaceae	Eukaryota	UNPD*
NPO20325	Dictyodendrilla cavernosa	Species	Dictyodendrillidae	Eukaryota	UNPD*
NPO22942	Moesziomyces antarcticus	Species	Ustilaginaceae	Eukaryota	UNPD*
NPO21468	Dilophus guineensis	Species	Dictyotaceae	Eukaryota	UNPD*
NPO7002	Ardisia hortorum	Species	Primulaceae	Eukaryota	UNPD*
NPO20581	Sargassum fulvellum	Species	Sargassaceae	Eukaryota	UNPD*
NPO7557	Aristolochia mollissima	Species	Aristolochiaceae	Eukaryota	TCM_Taiwan*
NPO20704	Conus gladiator	Species	Conidae	Eukaryota	UNPD*
NPO4758	Radix stephaniae cepharanthae	Species	Lymnaeidae	Eukaryota	TCMSP*
NPO19888	Doronicum grandiflorum	Species	Asteraceae	Eukaryota	UNPD*
NPO7557	Aristolochia mollissima	Species	Aristolochiaceae	Eukaryota	TCMID*
NPO8287	Piper taiwanense	Species	Piperaceae	Eukaryota	TCMID*

Biological Activity

Activity Type	# Activity
GI50	65
IC50	3

Activity Type	# Activity
Cell Line	65
Organism	3

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT1081	Cell Line	BXPC-3	Homo sapiens	GI50	>	10	ug/ml	17624787
NPT83	Cell Line	MCF7	Homo sapiens	GI50	=	6.3	ug/ml	17624787
NPT395	Cell Line	SF-268	Homo sapiens	GI50	=	2.9	ug/ml	17624787
NPT397	Cell Line	NCI-H460	Homo sapiens	GI50	=	2.5	ug/ml	17624787
NPT575	Cell Line	KM-20L2	Homo sapiens	GI50	=	17.3	ug/ml	17624787
NPT90	Cell Line	DU-145	Homo sapiens	GI50	=	4.3	ug/ml	17624787
NPT312	Organism	Saccharomyces cerevisiae	Saccharomyces cerevisiae	IC50	=	0.05	ug/ml	15270572
NPT312	Organism	Saccharomyces cerevisiae	Saccharomyces cerevisiae	IC50	=	115	ug/ml	15270572
NPT312	Organism	Saccharomyces cerevisiae	Saccharomyces cerevisiae	IC50	=	0.2	ug/ml	15270572
NPT368	Cell Line	SN12C	Homo sapiens	GI50		37670.38	nM	PubChem BioAssay data set
NPT369	Cell Line	ACHN	Homo sapiens	GI50		18836.49	nM	PubChem BioAssay data set
NPT370	Cell Line	NCI-H23	Homo sapiens	GI50		40738.03	nM	PubChem BioAssay data set
NPT371	Cell Line	UO-31	Homo sapiens	GI50		20230.19	nM	PubChem BioAssay data set
NPT372	Cell Line	HOP-92	Homo sapiens	GI50		100000	nM	PubChem BioAssay data set
NPT116	Cell Line	HL-60	Homo sapiens	GI50		38459.18	nM	PubChem BioAssay data set
NPT374	Cell Line	SF-539	Homo sapiens	GI50		45603.69	nM	PubChem BioAssay data set
NPT373	Cell Line	SK-MEL-5	Homo sapiens	GI50		28444.61	nM	PubChem BioAssay data set
NPT375	Cell Line	Malme-3M	Homo sapiens	GI50		38815.04	nM	PubChem BioAssay data set
NPT376	Cell Line	A498	Homo sapiens	GI50		100000	nM	PubChem BioAssay data set
NPT111	Cell Line	K562	Homo sapiens	GI50		27227.01	nM	PubChem BioAssay data set
NPT112	Cell Line	MOLT-4	Homo sapiens	GI50		17864.88	nM	PubChem BioAssay data set
NPT377	Cell Line	OVCAR-3	Homo sapiens	GI50		62086.9	nM	PubChem BioAssay data set
NPT379	Cell Line	HOP-62	Homo sapiens	GI50		41209.75	nM	PubChem BioAssay data set
NPT380	Cell Line	U-251	Homo sapiens	GI50		43351.09	nM	PubChem BioAssay data set
NPT381	Cell Line	OVCAR-8	Homo sapiens	GI50		24099.05	nM	PubChem BioAssay data set
NPT382	Cell Line	OVCAR-5	Homo sapiens	GI50		48752.85	nM	PubChem BioAssay data set
NPT383	Cell Line	SNB-19	Homo sapiens	GI50		47424.2	nM	PubChem BioAssay data set
NPT572	Cell Line	DMS-273	Homo sapiens	GI50		22908.68	nM	PubChem BioAssay data set
NPT384	Cell Line	TK-10	Homo sapiens	GI50		52480.75	nM	PubChem BioAssay data set
NPT385	Cell Line	SR	Homo sapiens	GI50		7498.94	nM	PubChem BioAssay data set
NPT323	Cell Line	SW-620	Homo sapiens	GI50		35399.73	nM	PubChem BioAssay data set
NPT573	Cell Line	M19-MEL	Homo sapiens	GI50		28379.19	nM	PubChem BioAssay data set
NPT455	Cell Line	NCI-H522	Homo sapiens	GI50		22594.36	nM	PubChem BioAssay data set
NPT386	Cell Line	KM12	Homo sapiens	GI50		18323.14	nM	PubChem BioAssay data set
NPT387	Cell Line	M14	Homo sapiens	GI50		26730.06	nM	PubChem BioAssay data set
NPT574	Cell Line	XF498	Homo sapiens	GI50		100000	nM	PubChem BioAssay data set
NPT388	Cell Line	NCI-H322M	Homo sapiens	GI50		20749.14	nM	PubChem BioAssay data set
NPT389	Cell Line	RPMI-8226	Homo sapiens	GI50		25118.86	nM	PubChem BioAssay data set
NPT456	Cell Line	OVCAR-4	Homo sapiens	GI50		58613.82	nM	PubChem BioAssay data set
NPT390	Cell Line	LOX IMVI	Homo sapiens	GI50		23014.42	nM	PubChem BioAssay data set
NPT147	Cell Line	SK-MEL-2	Homo sapiens	GI50		46665.94	nM	PubChem BioAssay data set
NPT81	Cell Line	A549	Homo sapiens	GI50		33728.73	nM	PubChem BioAssay data set
NPT575	Cell Line	KM-20L2	Homo sapiens	GI50		39355.01	nM	PubChem BioAssay data set
NPT392	Cell Line	SNB-75	Homo sapiens	GI50		39174.19	nM	PubChem BioAssay data set
NPT391	Cell Line	HCC 2998	Homo sapiens	GI50		49090.79	nM	PubChem BioAssay data set
NPT393	Cell Line	HCT-116	Homo sapiens	GI50		15559.66	nM	PubChem BioAssay data set
NPT148	Cell Line	HCT-15	Homo sapiens	GI50		36057.86	nM	PubChem BioAssay data set
NPT395	Cell Line	SF-268	Homo sapiens	GI50		21877.62	nM	PubChem BioAssay data set
NPT394	Cell Line	EKVX	Homo sapiens	GI50		69662.65	nM	PubChem BioAssay data set
NPT731	Cell Line	LXFL 529	Homo sapiens	GI50		30831.88	nM	PubChem BioAssay data set
NPT576	Cell Line	DMS-114	Homo sapiens	GI50		31550.05	nM	PubChem BioAssay data set
NPT146	Cell Line	SK-OV-3	Homo sapiens	GI50		50350.06	nM	PubChem BioAssay data set
NPT397	Cell Line	NCI-H460	Homo sapiens	GI50		26730.06	nM	PubChem BioAssay data set
NPT398	Cell Line	UACC-62	Homo sapiens	GI50		16943.38	nM	PubChem BioAssay data set
NPT308	Cell Line	CAKI-1	Homo sapiens	GI50		31260.79	nM	PubChem BioAssay data set
NPT458	Cell Line	IGROV-1	Homo sapiens	GI50		37583.74	nM	PubChem BioAssay data set
NPT399	Cell Line	SF-295	Homo sapiens	GI50		38725.76	nM	PubChem BioAssay data set
NPT401	Cell Line	786-0	Homo sapiens	GI50		7227.7	nM	PubChem BioAssay data set
NPT578	Cell Line	SNB-78	Homo sapiens	GI50		7834.3	nM	PubChem BioAssay data set
NPT403	Cell Line	UACC-257	Homo sapiens	GI50		51522.86	nM	PubChem BioAssay data set
NPT579	Cell Line	DLD-1	Homo sapiens	GI50		31188.9	nM	PubChem BioAssay data set
NPT404	Cell Line	CCRF-CEM	Homo sapiens	GI50		8953.65	nM	PubChem BioAssay data set
NPT405	Cell Line	NCI-H226	Homo sapiens	GI50		25234.81	nM	PubChem BioAssay data set
NPT139	Cell Line	HT-29	Homo sapiens	GI50		34434.99	nM	PubChem BioAssay data set
NPT170	Cell Line	SK-MEL-28	Homo sapiens	GI50		40457.59	nM	PubChem BioAssay data set
NPT407	Cell Line	COLO 205	Homo sapiens	GI50		28707.81	nM	PubChem BioAssay data set
NPT406	Cell Line	RXF 393	Homo sapiens	GI50		25585.86	nM	PubChem BioAssay data set
NPT732	Cell Line	HOP-18	Homo sapiens	GI50		42854.85	nM	PubChem BioAssay data set

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 NPC55470 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	380
0.1-0.2	1707
0.2-0.3	5352
0.3-0.4	7187
0.4-0.5	5010
0.5-0.6	9616
0.6-0.7	1379
0.7-0.8	234
0.8-0.85	10
0.85-0.9	10
0.9-0.95	3
0.95-1	1

Similarity Score	Similarity Level	Natural Product ID
0.9632	High Similarity	NPC308943
0.9227	High Similarity	NPC222561
0.9062	High Similarity	NPC5374
0.9	High Similarity	NPC254957
0.8912	High Similarity	NPC71124
0.8905	High Similarity	NPC298449
0.8889	High Similarity	NPC100573
0.8889	High Similarity	NPC207873
0.8878	High Similarity	NPC207971
0.8737	High Similarity	NPC268077
0.8718	High Similarity	NPC193906
0.8718	High Similarity	NPC23080
0.8607	High Similarity	NPC90185
0.8534	High Similarity	NPC249405
0.8359	Intermediate Similarity	NPC312531
0.829	Intermediate Similarity	NPC179704
0.8229	Intermediate Similarity	NPC287588
0.8186	Intermediate Similarity	NPC38961
0.8173	Intermediate Similarity	NPC474904
0.8125	Intermediate Similarity	NPC285941
0.8082	Intermediate Similarity	NPC22481
0.8069	Intermediate Similarity	NPC17677
0.8029	Intermediate Similarity	NPC85661
0.8	Intermediate Similarity	NPC190461
0.7981	Intermediate Similarity	NPC46679
0.7973	Intermediate Similarity	NPC189903
0.7973	Intermediate Similarity	NPC182907
0.796	Intermediate Similarity	NPC302001
0.7952	Intermediate Similarity	NPC61731
0.7952	Intermediate Similarity	NPC186569
0.7949	Intermediate Similarity	NPC5167
0.7945	Intermediate Similarity	NPC278525
0.7943	Intermediate Similarity	NPC171882
0.7943	Intermediate Similarity	NPC121510
0.794	Intermediate Similarity	NPC169387
0.794	Intermediate Similarity	NPC477259
0.7929	Intermediate Similarity	NPC116007
0.7928	Intermediate Similarity	NPC108342
0.7882	Intermediate Similarity	NPC162653
0.7877	Intermediate Similarity	NPC124658
0.7877	Intermediate Similarity	NPC227361
0.7876	Intermediate Similarity	NPC241055
0.7864	Intermediate Similarity	NPC471489
0.7857	Intermediate Similarity	NPC85613
0.7854	Intermediate Similarity	NPC212163
0.7839	Intermediate Similarity	NPC83511
0.7839	Intermediate Similarity	NPC276674
0.7839	Intermediate Similarity	NPC33902
0.783	Intermediate Similarity	NPC91234
0.7803	Intermediate Similarity	NPC253675
0.7801	Intermediate Similarity	NPC24954
0.7778	Intermediate Similarity	NPC166722
0.7778	Intermediate Similarity	NPC256422
0.7778	Intermediate Similarity	NPC295676
0.7763	Intermediate Similarity	NPC124313
0.7761	Intermediate Similarity	NPC320088
0.7757	Intermediate Similarity	NPC290227
0.7753	Intermediate Similarity	NPC207283
0.7753	Intermediate Similarity	NPC84164
0.7721	Intermediate Similarity	NPC240684
0.772	Intermediate Similarity	NPC168409
0.7709	Intermediate Similarity	NPC210296
0.7707	Intermediate Similarity	NPC477258
0.7704	Intermediate Similarity	NPC67978
0.7704	Intermediate Similarity	NPC303581
0.7688	Intermediate Similarity	NPC27887
0.7671	Intermediate Similarity	NPC210434
0.767	Intermediate Similarity	NPC24228
0.7667	Intermediate Similarity	NPC244606
0.7667	Intermediate Similarity	NPC156728
0.765	Intermediate Similarity	NPC195120
0.7626	Intermediate Similarity	NPC308267
0.7623	Intermediate Similarity	NPC24019
0.7597	Intermediate Similarity	NPC183537
0.7596	Intermediate Similarity	NPC207239
0.7588	Intermediate Similarity	NPC222524
0.7581	Intermediate Similarity	NPC10732
0.7569	Intermediate Similarity	NPC87560
0.7565	Intermediate Similarity	NPC232924
0.7565	Intermediate Similarity	NPC160298
0.7565	Intermediate Similarity	NPC266753
0.7565	Intermediate Similarity	NPC306902
0.7565	Intermediate Similarity	NPC477559
0.7521	Intermediate Similarity	NPC77878
0.7513	Intermediate Similarity	NPC86469
0.75	Intermediate Similarity	NPC283810
0.75	Intermediate Similarity	NPC24264
0.75	Intermediate Similarity	NPC476432
0.75	Intermediate Similarity	NPC157983
0.75	Intermediate Similarity	NPC118154
0.7489	Intermediate Similarity	NPC160113
0.7489	Intermediate Similarity	NPC476220
0.7463	Intermediate Similarity	NPC237579
0.7463	Intermediate Similarity	NPC121400
0.7462	Intermediate Similarity	NPC247389
0.7456	Intermediate Similarity	NPC154922
0.7449	Intermediate Similarity	NPC167546
0.7449	Intermediate Similarity	NPC16805
0.7449	Intermediate Similarity	NPC302527
0.7449	Intermediate Similarity	NPC225774
0.7442	Intermediate Similarity	NPC46990
0.744	Intermediate Similarity	NPC78284
0.7412	Intermediate Similarity	NPC90875
0.7411	Intermediate Similarity	NPC219341
0.7401	Intermediate Similarity	NPC233334
0.7391	Intermediate Similarity	NPC226708
0.7382	Intermediate Similarity	NPC119669
0.7374	Intermediate Similarity	NPC210918
0.7374	Intermediate Similarity	NPC298979
0.7362	Intermediate Similarity	NPC270515
0.7359	Intermediate Similarity	NPC304837
0.7359	Intermediate Similarity	NPC476258
0.7353	Intermediate Similarity	NPC116284
0.7347	Intermediate Similarity	NPC153631
0.7339	Intermediate Similarity	NPC159815
0.7323	Intermediate Similarity	NPC304659
0.7323	Intermediate Similarity	NPC86144
0.731	Intermediate Similarity	NPC189470
0.7296	Intermediate Similarity	NPC113455
0.7295	Intermediate Similarity	NPC208890
0.7295	Intermediate Similarity	NPC296742
0.7295	Intermediate Similarity	NPC166979
0.7294	Intermediate Similarity	NPC220241
0.7294	Intermediate Similarity	NPC295479
0.7286	Intermediate Similarity	NPC471604
0.7277	Intermediate Similarity	NPC148124
0.7273	Intermediate Similarity	NPC146976
0.7265	Intermediate Similarity	NPC15406
0.7264	Intermediate Similarity	NPC19520
0.7264	Intermediate Similarity	NPC149090
0.726	Intermediate Similarity	NPC470482
0.726	Intermediate Similarity	NPC470481
0.7257	Intermediate Similarity	NPC285254
0.7248	Intermediate Similarity	NPC25961
0.7246	Intermediate Similarity	NPC224293
0.7238	Intermediate Similarity	NPC469815
0.7238	Intermediate Similarity	NPC469816
0.7232	Intermediate Similarity	NPC99724
0.7227	Intermediate Similarity	NPC236668
0.7227	Intermediate Similarity	NPC137353
0.7225	Intermediate Similarity	NPC248903
0.7217	Intermediate Similarity	NPC14622
0.7217	Intermediate Similarity	NPC215098
0.7217	Intermediate Similarity	NPC46744
0.7217	Intermediate Similarity	NPC73020
0.7217	Intermediate Similarity	NPC70290
0.7217	Intermediate Similarity	NPC124302
0.7215	Intermediate Similarity	NPC82541
0.7214	Intermediate Similarity	NPC6152
0.7212	Intermediate Similarity	NPC112676
0.7209	Intermediate Similarity	NPC41216
0.7206	Intermediate Similarity	NPC114364
0.7206	Intermediate Similarity	NPC320223
0.7203	Intermediate Similarity	NPC120239
0.7202	Intermediate Similarity	NPC81733
0.7202	Intermediate Similarity	NPC326316
0.7198	Intermediate Similarity	NPC69213
0.7198	Intermediate Similarity	NPC21425
0.7195	Intermediate Similarity	NPC235076
0.7192	Intermediate Similarity	NPC199465
0.7192	Intermediate Similarity	NPC229166
0.7192	Intermediate Similarity	NPC128560
0.7188	Intermediate Similarity	NPC470088
0.7188	Intermediate Similarity	NPC10653
0.7188	Intermediate Similarity	NPC318525
0.7186	Intermediate Similarity	NPC306669
0.7184	Intermediate Similarity	NPC102760
0.7181	Intermediate Similarity	NPC26928
0.7181	Intermediate Similarity	NPC476436
0.7181	Intermediate Similarity	NPC470018
0.7179	Intermediate Similarity	NPC93593
0.7177	Intermediate Similarity	NPC82763
0.7175	Intermediate Similarity	NPC100079
0.7175	Intermediate Similarity	NPC23614
0.7171	Intermediate Similarity	NPC220961
0.7169	Intermediate Similarity	NPC188420
0.7169	Intermediate Similarity	NPC470020
0.7163	Intermediate Similarity	NPC474009
0.7157	Intermediate Similarity	NPC106786
0.715	Intermediate Similarity	NPC72788
0.715	Intermediate Similarity	NPC120671
0.715	Intermediate Similarity	NPC226652
0.715	Intermediate Similarity	NPC314100
0.7149	Intermediate Similarity	NPC72905
0.7149	Intermediate Similarity	NPC271215
0.7149	Intermediate Similarity	NPC268223
0.7149	Intermediate Similarity	NPC149471
0.7143	Intermediate Similarity	NPC46451
0.7143	Intermediate Similarity	NPC63152
0.713	Intermediate Similarity	NPC313327
0.7129	Intermediate Similarity	NPC45389
0.7129	Intermediate Similarity	NPC152212
0.7128	Intermediate Similarity	NPC470708
0.7123	Intermediate Similarity	NPC125924
0.7123	Intermediate Similarity	NPC470646
0.7121	Intermediate Similarity	NPC135006
0.7115	Intermediate Similarity	NPC214629
0.7107	Intermediate Similarity	NPC93653
0.7107	Intermediate Similarity	NPC476572
0.7104	Intermediate Similarity	NPC251160

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC55470 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	273
0.1-0.2	778
0.2-0.3	889
0.3-0.4	1667
0.4-0.5	2923
0.5-0.6	2029
0.6-0.7	554
0.7-0.8	47
0.8-0.85	1
0.85-0.9	0
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.8068	Intermediate Similarity	NPD4859	Phase 1
0.798	Intermediate Similarity	NPD5071	Phase 2
0.7742	Intermediate Similarity	NPD7858	Clinical (unspecified phase)
0.7653	Intermediate Similarity	NPD4997	Clinical (unspecified phase)
0.7639	Intermediate Similarity	NPD8149	Discontinued
0.7635	Intermediate Similarity	NPD5896	Clinical (unspecified phase)
0.7577	Intermediate Similarity	NPD4846	Phase 2
0.756	Intermediate Similarity	NPD7255	Clinical (unspecified phase)
0.7524	Intermediate Similarity	NPD6321	Discontinued
0.75	Intermediate Similarity	NPD7238	Clinical (unspecified phase)
0.75	Intermediate Similarity	NPD7225	Discontinued
0.7477	Intermediate Similarity	NPD7279	Phase 2
0.7477	Intermediate Similarity	NPD7278	Phase 2
0.7406	Intermediate Similarity	NPD956	Clinical (unspecified phase)
0.7395	Intermediate Similarity	NPD5950	Discontinued
0.7323	Intermediate Similarity	NPD5186	Approved
0.7323	Intermediate Similarity	NPD5183	Approved
0.729	Intermediate Similarity	NPD7597	Clinical (unspecified phase)
0.7249	Intermediate Similarity	NPD4885	Approved
0.7238	Intermediate Similarity	NPD4926	Clinical (unspecified phase)
0.7217	Intermediate Similarity	NPD7922	Phase 1
0.7217	Intermediate Similarity	NPD4420	Approved
0.7198	Intermediate Similarity	NPD4084	Clinical (unspecified phase)
0.7194	Intermediate Similarity	NPD5977	Approved
0.7194	Intermediate Similarity	NPD5978	Approved
0.7184	Intermediate Similarity	NPD6021	Clinical (unspecified phase)
0.7163	Intermediate Similarity	NPD6608	Clinical (unspecified phase)
0.715	Intermediate Similarity	NPD4107	Approved
0.7143	Intermediate Similarity	NPD5521	Clinical (unspecified phase)
0.7143	Intermediate Similarity	NPD3763	Approved
0.7143	Intermediate Similarity	NPD6625	Approved
0.7123	Intermediate Similarity	NPD7667	Clinical (unspecified phase)
0.7108	Intermediate Similarity	NPD5900	Clinical (unspecified phase)
0.7085	Intermediate Similarity	NPD5025	Approved
0.7083	Intermediate Similarity	NPD5005	Approved
0.7083	Intermediate Similarity	NPD5006	Approved
0.7064	Intermediate Similarity	NPD7174	Clinical (unspecified phase)
0.7059	Intermediate Similarity	NPD683	Approved
0.7053	Intermediate Similarity	NPD2968	Approved
0.7053	Intermediate Similarity	NPD2971	Approved
0.7053	Intermediate Similarity	NPD3534	Clinical (unspecified phase)
0.7037	Intermediate Similarity	NPD4482	Phase 3
0.7031	Intermediate Similarity	NPD7223	Discontinued
0.7031	Intermediate Similarity	NPD7224	Discontinued
0.7015	Intermediate Similarity	NPD6457	Approved
0.701	Intermediate Similarity	NPD5603	Clinical (unspecified phase)
0.7009	Intermediate Similarity	NPD5564	Approved
0.7	Intermediate Similarity	NPD7291	Discontinued
0.6995	Remote Similarity	NPD6493	Phase 3
0.6991	Remote Similarity	NPD5457	Discontinued
0.6971	Remote Similarity	NPD5917	Clinical (unspecified phase)
0.6971	Remote Similarity	NPD7280	Phase 3
0.6971	Remote Similarity	NPD7281	Phase 3
0.6962	Remote Similarity	NPD6790	Phase 1
0.696	Remote Similarity	NPD3437	Discontinued
0.696	Remote Similarity	NPD5433	Clinical (unspecified phase)
0.695	Remote Similarity	NPD6533	Clinical (unspecified phase)
0.6944	Remote Similarity	NPD3297	Approved
0.6938	Remote Similarity	NPD6618	Phase 2
0.6933	Remote Similarity	NPD6716	Phase 1
0.6927	Remote Similarity	NPD3057	Approved
0.6927	Remote Similarity	NPD7626	Approved
0.6927	Remote Similarity	NPD7627	Approved
0.6923	Remote Similarity	NPD6723	Discontinued
0.692	Remote Similarity	NPD7571	Clinical (unspecified phase)
0.6919	Remote Similarity	NPD3349	Phase 2
0.6917	Remote Similarity	NPD5488	Discontinued
0.6912	Remote Similarity	NPD3289	Phase 3
0.6912	Remote Similarity	NPD3290	Approved
0.6908	Remote Similarity	NPD6293	Clinical (unspecified phase)
0.6907	Remote Similarity	NPD7048	Phase 3
0.6904	Remote Similarity	NPD1337	Clinical (unspecified phase)
0.69	Remote Similarity	NPD8311	Discontinued
0.689	Remote Similarity	NPD6146	Clinical (unspecified phase)
0.6878	Remote Similarity	NPD5919	Clinical (unspecified phase)
0.6878	Remote Similarity	NPD7449	Clinical (unspecified phase)
0.687	Remote Similarity	NPD3912	Discontinued
0.6867	Remote Similarity	NPD4981	Phase 2
0.6854	Remote Similarity	NPD2490	Approved
0.6854	Remote Similarity	NPD2488	Approved
0.6852	Remote Similarity	NPD2975	Approved
0.6852	Remote Similarity	NPD2973	Approved
0.6852	Remote Similarity	NPD2974	Approved
0.6849	Remote Similarity	NPD3448	Approved
0.6849	Remote Similarity	NPD2491	Approved
0.6849	Remote Similarity	NPD3533	Approved
0.6849	Remote Similarity	NPD2972	Approved
0.6842	Remote Similarity	NPD2899	Discontinued
0.6833	Remote Similarity	NPD7607	Clinical (unspecified phase)
0.6829	Remote Similarity	NPD5997	Discontinued
0.6827	Remote Similarity	NPD6297	Approved
0.6826	Remote Similarity	NPD6997	Phase 2
0.6818	Remote Similarity	NPD7064	Clinical (unspecified phase)
0.6815	Remote Similarity	NPD7708	Approved
0.6806	Remote Similarity	NPD5582	Discontinued
0.6802	Remote Similarity	NPD8091	Phase 3
0.68	Remote Similarity	NPD3816	Phase 1
0.68	Remote Similarity	NPD3815	Phase 1
0.6797	Remote Similarity	NPD5619	Clinical (unspecified phase)
0.6793	Remote Similarity	NPD3752	Phase 2
0.6791	Remote Similarity	NPD7262	Phase 1
0.6787	Remote Similarity	NPD3298	Approved
0.6787	Remote Similarity	NPD6250	Discontinued
0.6784	Remote Similarity	NPD7109	Clinical (unspecified phase)
0.6784	Remote Similarity	NPD7110	Phase 1
0.6776	Remote Similarity	NPD5525	Clinical (unspecified phase)
0.677	Remote Similarity	NPD4356	Discontinued
0.6766	Remote Similarity	NPD5616	Clinical (unspecified phase)
0.6763	Remote Similarity	NPD7177	Discontinued
0.6762	Remote Similarity	NPD7190	Clinical (unspecified phase)
0.6761	Remote Similarity	NPD5620	Clinical (unspecified phase)
0.6758	Remote Similarity	NPD7501	Clinical (unspecified phase)
0.6758	Remote Similarity	NPD4580	Approved
0.6751	Remote Similarity	NPD3639	Approved
0.6751	Remote Similarity	NPD3641	Approved
0.6751	Remote Similarity	NPD3640	Phase 3
0.6746	Remote Similarity	NPD6654	Clinical (unspecified phase)
0.6735	Remote Similarity	NPD4584	Approved
0.6731	Remote Similarity	NPD5313	Approved
0.6731	Remote Similarity	NPD3050	Clinical (unspecified phase)
0.6731	Remote Similarity	NPD5312	Approved
0.6729	Remote Similarity	NPD5928	Phase 1
0.6727	Remote Similarity	NPD2493	Approved
0.6727	Remote Similarity	NPD3452	Approved
0.6727	Remote Similarity	NPD3450	Approved
0.6727	Remote Similarity	NPD2494	Approved
0.6726	Remote Similarity	NPD7301	Phase 3
0.6723	Remote Similarity	NPD4952	Phase 3
0.6713	Remote Similarity	NPD6181	Discontinued
0.6712	Remote Similarity	NPD1880	Phase 3
0.6711	Remote Similarity	NPD5860	Discontinued
0.6706	Remote Similarity	NPD7803	Approved
0.6698	Remote Similarity	NPD6853	Approved
0.6698	Remote Similarity	NPD6851	Approved
0.6696	Remote Similarity	NPD6593	Clinical (unspecified phase)
0.6684	Remote Similarity	NPD4664	Clinical (unspecified phase)
0.6683	Remote Similarity	NPD824	Approved
0.6682	Remote Similarity	NPD4413	Clinical (unspecified phase)
0.6681	Remote Similarity	NPD5676	Approved
0.6681	Remote Similarity	NPD7654	Discontinued
0.6681	Remote Similarity	NPD5980	Discovery
0.6667	Remote Similarity	NPD7570	Approved
0.6667	Remote Similarity	NPD6662	Clinical (unspecified phase)
0.6667	Remote Similarity	NPD7569	Approved
0.6667	Remote Similarity	NPD7559	Phase 2
0.6667	Remote Similarity	NPD3257	Approved
0.6652	Remote Similarity	NPD6238	Discontinued
0.6651	Remote Similarity	NPD5600	Discontinued
0.6651	Remote Similarity	NPD4078	Clinical (unspecified phase)
0.6639	Remote Similarity	NPD4373	Phase 2
0.6638	Remote Similarity	NPD7907	Approved
0.6638	Remote Similarity	NPD7475	Clinical (unspecified phase)
0.6637	Remote Similarity	NPD4583	Approved
0.6637	Remote Similarity	NPD5914	Approved
0.6637	Remote Similarity	NPD4582	Approved
0.6636	Remote Similarity	NPD5610	Approved
0.6636	Remote Similarity	NPD6874	Approved
0.6635	Remote Similarity	NPD5602	Clinical (unspecified phase)
0.6635	Remote Similarity	NPD5966	Clinical (unspecified phase)
0.6634	Remote Similarity	NPD710	Clinical (unspecified phase)
0.6625	Remote Similarity	NPD5805	Approved
0.6624	Remote Similarity	NPD6247	Clinical (unspecified phase)
0.6623	Remote Similarity	NPD8318	Clinical (unspecified phase)
0.6623	Remote Similarity	NPD5496	Approved
0.6622	Remote Similarity	NPD6795	Clinical (unspecified phase)
0.6619	Remote Similarity	NPD7479	Phase 2
0.6606	Remote Similarity	NPD6612	Phase 2
0.6602	Remote Similarity	NPD2821	Approved
0.6592	Remote Similarity	NPD4004	Approved
0.6592	Remote Similarity	NPD4002	Approved
0.6588	Remote Similarity	NPD6496	Clinical (unspecified phase)
0.6587	Remote Similarity	NPD4481	Phase 3
0.6587	Remote Similarity	NPD2898	Approved
0.6582	Remote Similarity	NPD3301	Approved
0.6582	Remote Similarity	NPD5084	Clinical (unspecified phase)
0.6582	Remote Similarity	NPD5801	Clinical (unspecified phase)
0.658	Remote Similarity	NPD7395	Discontinued
0.6578	Remote Similarity	NPD7584	Approved
0.6575	Remote Similarity	NPD3964	Approved
0.657	Remote Similarity	NPD7885	Phase 2
0.657	Remote Similarity	NPD4166	Phase 2
0.657	Remote Similarity	NPD7886	Phase 2
0.6567	Remote Similarity	NPD6876	Approved
0.6567	Remote Similarity	NPD6875	Approved
0.6565	Remote Similarity	NPD7047	Phase 3
0.6562	Remote Similarity	NPD4467	Phase 2
0.6562	Remote Similarity	NPD4465	Phase 2
0.6556	Remote Similarity	NPD8157	Clinical (unspecified phase)
0.6553	Remote Similarity	NPD6037	Discontinued
0.6552	Remote Similarity	NPD3258	Approved
0.6552	Remote Similarity	NPD5519	Discontinued
0.6552	Remote Similarity	NPD4111	Phase 1
0.6552	Remote Similarity	NPD4665	Approved
0.654	Remote Similarity	NPD3920	Phase 2
0.6538	Remote Similarity	NPD5242	Approved
0.6535	Remote Similarity	NPD6385	Approved
0.6535	Remote Similarity	NPD1945	Phase 1
0.6535	Remote Similarity	NPD6386	Approved
0.6534	Remote Similarity	NPD8461	Discontinued
0.6525	Remote Similarity	NPD7186	Phase 3

Structure

CID55470 OpenBabel06191715392D 23 27 0 0 0 0 0 0 0 0999 V2000 0.8302 -0.4940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7057 3.8527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8799 4.3429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6941 2.8924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0424 3.8729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8619 1.4469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5005 1.4772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8048 3.9689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8566 2.4223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0307 2.9126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6640 0.9798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0181 0.9684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4923 2.4404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8253 1.4554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8130 2.4341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6694 0.0115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6536 2.9160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8388 -0.4756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5090 -0.4663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8458 -1.4416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2038 3.0912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8467 3.8607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 4 9 2 0 0 0 0 5 10 2 0 0 0 0 6 9 1 0 0 0 0 6 12 2 0 0 0 0 7 11 2 0 0 0 0 7 13 1 0 0 0 0 8 22 1 0 0 0 0 8 23 1 0 0 0 0 9 10 1 0 0 0 0 10 15 1 0 0 0 0 11 14 1 0 0 0 0 11 16 1 0 0 0 0 12 14 1 0 0 0 0 12 19 1 0 0 0 0 13 17 2 0 0 0 0 13 22 1 0 0 0 0 14 15 2 0 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 20 2 0 0 0 0 17 23 1 0 0 0 0 18 19 1 0 0 0 0 18 21 2 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	94577
ChEMBL	CHEMBL235921
ZINC

Physicochemical Properties

Molecular Weight:	305.07
ALogP:	-1.099
MLogP:	2.89
XLogP:	3.102
# Rotatable Bonds:	1
Polar Surface Area:	55.84
# H-Bond Aceptor:	3
# H-Bond Donor:	0
# Rings:	5
# Heavy Atoms:	23

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