NPASS Natural Product

Natural Product: NPC260796

Natural Product ID:	NPC260796
Common Name:	n.a.
IUPAC Name:
Synonyms:
Molecular Formula:	C20H26O3
Standard InCHIKey:	OYXDHOVYZKWSRM-PHJMNMFVSA-N
Standard InCHI:	InChI=1S/C20H26O3/c1-11-15-12(22-17(11)21)10-14-19(4)8-5-7-18(2,3)13(19)6-9-20(14)16(15)23-20/h10,13-14,16H,5-9H2,1-4H3/t13-,14+,16-,19-,20+/m1/s1
Canonical SMILES:	O=C1OC2=C[C@@H]3[C@]4([C@@H](C2=C1C)O4)CC[C@H]1[C@@]3(C)CCCC1(C)C
First Find Year:
Max Developmental Stage:
Synthetic Gene Cluster:	;

Species Source

Organism ID	Organism Name	Taxonomy Level	Family	SuperKingdom	Isolation Part	Reference
NPO16205	Euphorbia fischeriana	Species	Euphorbiaceae	Eukaryota	Whole Plants	PMID[21534540]
NPO19676	Lunulatae herba	NA	NA	NA		TCMSP*
NPO299	Euphorbia ebracteolata	Species	Euphorbiaceae	Eukaryota		TM-MC*
NPO16205	Euphorbia fischeriana	Species	Euphorbiaceae	Eukaryota		TM-MC*

Biological Activity

Activity Type	# Activity
GI50	50
IC50	1

Activity Type	# Activity
Cell Line	51

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT368	Cell Line	SN12C	Homo sapiens	GI50		100000	nM	PubChem BioAssay data set
NPT367	Cell Line	MDA-N	Homo sapiens	GI50		100000	nM	PubChem BioAssay data set
NPT370	Cell Line	NCI-H23	Homo sapiens	GI50		100000	nM	PubChem BioAssay data set
NPT369	Cell Line	ACHN	Homo sapiens	GI50		100000	nM	PubChem BioAssay data set
NPT371	Cell Line	UO-31	Homo sapiens	GI50		100000	nM	PubChem BioAssay data set
NPT372	Cell Line	HOP-92	Homo sapiens	GI50		100000	nM	PubChem BioAssay data set
NPT90	Cell Line	DU-145	Homo sapiens	GI50		100000	nM	PubChem BioAssay data set
NPT375	Cell Line	Malme-3M	Homo sapiens	GI50		100000	nM	PubChem BioAssay data set
NPT373	Cell Line	SK-MEL-5	Homo sapiens	GI50		100000	nM	PubChem BioAssay data set
NPT111	Cell Line	K562	Homo sapiens	GI50		100000	nM	PubChem BioAssay data set
NPT376	Cell Line	A498	Homo sapiens	GI50		100000	nM	PubChem BioAssay data set
NPT379	Cell Line	HOP-62	Homo sapiens	GI50		100000	nM	PubChem BioAssay data set
NPT112	Cell Line	MOLT-4	Homo sapiens	GI50		100000	nM	PubChem BioAssay data set
NPT380	Cell Line	U-251	Homo sapiens	GI50		100000	nM	PubChem BioAssay data set
NPT378	Cell Line	NCI/ADR-RES	Homo sapiens	GI50		100000	nM	PubChem BioAssay data set
NPT382	Cell Line	OVCAR-5	Homo sapiens	GI50		100000	nM	PubChem BioAssay data set
NPT383	Cell Line	SNB-19	Homo sapiens	GI50		100000	nM	PubChem BioAssay data set
NPT82	Cell Line	MDA-MB-231	Homo sapiens	GI50		100000	nM	PubChem BioAssay data set
NPT384	Cell Line	TK-10	Homo sapiens	GI50		100000	nM	PubChem BioAssay data set
NPT323	Cell Line	SW-620	Homo sapiens	GI50		100000	nM	PubChem BioAssay data set
NPT455	Cell Line	NCI-H522	Homo sapiens	GI50		100000	nM	PubChem BioAssay data set
NPT387	Cell Line	M14	Homo sapiens	GI50		100000	nM	PubChem BioAssay data set
NPT386	Cell Line	KM12	Homo sapiens	GI50		100000	nM	PubChem BioAssay data set
NPT388	Cell Line	NCI-H322M	Homo sapiens	GI50		100000	nM	PubChem BioAssay data set
NPT389	Cell Line	RPMI-8226	Homo sapiens	GI50		100000	nM	PubChem BioAssay data set
NPT456	Cell Line	OVCAR-4	Homo sapiens	GI50		100000	nM	PubChem BioAssay data set
NPT457	Cell Line	BT-549	Homo sapiens	GI50		100000	nM	PubChem BioAssay data set
NPT147	Cell Line	SK-MEL-2	Homo sapiens	GI50		100000	nM	PubChem BioAssay data set
NPT81	Cell Line	A549	Homo sapiens	GI50		100000	nM	PubChem BioAssay data set
NPT392	Cell Line	SNB-75	Homo sapiens	GI50		100000	nM	PubChem BioAssay data set
NPT391	Cell Line	HCC 2998	Homo sapiens	GI50		100000	nM	PubChem BioAssay data set
NPT148	Cell Line	HCT-15	Homo sapiens	GI50		100000	nM	PubChem BioAssay data set
NPT393	Cell Line	HCT-116	Homo sapiens	GI50		100000	nM	PubChem BioAssay data set
NPT395	Cell Line	SF-268	Homo sapiens	GI50		100000	nM	PubChem BioAssay data set
NPT83	Cell Line	MCF7	Homo sapiens	GI50		100000	nM	PubChem BioAssay data set
NPT394	Cell Line	EKVX	Homo sapiens	GI50		100000	nM	PubChem BioAssay data set
NPT306	Cell Line	PC-3	Homo sapiens	GI50		100000	nM	PubChem BioAssay data set
NPT146	Cell Line	SK-OV-3	Homo sapiens	GI50		100000	nM	PubChem BioAssay data set
NPT398	Cell Line	UACC-62	Homo sapiens	GI50		100000	nM	PubChem BioAssay data set
NPT397	Cell Line	NCI-H460	Homo sapiens	GI50		100000	nM	PubChem BioAssay data set
NPT400	Cell Line	MDA-MB-435	Homo sapiens	GI50		100000	nM	PubChem BioAssay data set
NPT458	Cell Line	IGROV-1	Homo sapiens	GI50		100000	nM	PubChem BioAssay data set
NPT399	Cell Line	SF-295	Homo sapiens	GI50		100000	nM	PubChem BioAssay data set
NPT401	Cell Line	786-0	Homo sapiens	GI50		100000	nM	PubChem BioAssay data set
NPT403	Cell Line	UACC-257	Homo sapiens	GI50		100000	nM	PubChem BioAssay data set
NPT405	Cell Line	NCI-H226	Homo sapiens	GI50		100000	nM	PubChem BioAssay data set
NPT139	Cell Line	HT-29	Homo sapiens	GI50		100000	nM	PubChem BioAssay data set
NPT170	Cell Line	SK-MEL-28	Homo sapiens	GI50		100000	nM	PubChem BioAssay data set
NPT407	Cell Line	COLO 205	Homo sapiens	GI50		100000	nM	PubChem BioAssay data set
NPT406	Cell Line	RXF 393	Homo sapiens	GI50		100000	nM	PubChem BioAssay data set
NPT113	Cell Line	RAW264.7	Mus musculus	IC50	=	25000	nM	26615888

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 NPC260796 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	156
0.1-0.2	853
0.2-0.3	2850
0.3-0.4	4757
0.4-0.5	11744
0.5-0.6	6019
0.6-0.7	3877
0.7-0.8	600
0.8-0.85	31
0.85-0.9	1
0.9-0.95	1
0.95-1	0

Similarity Score	Similarity Level	Natural Product ID
0.9175	High Similarity	NPC81630
0.8587	High Similarity	NPC93411
0.8416	Intermediate Similarity	NPC471206
0.8404	Intermediate Similarity	NPC221111
0.8404	Intermediate Similarity	NPC280149
0.8367	Intermediate Similarity	NPC278673
0.8351	Intermediate Similarity	NPC475380
0.8351	Intermediate Similarity	NPC209297
0.8351	Intermediate Similarity	NPC194132
0.8333	Intermediate Similarity	NPC140277
0.8265	Intermediate Similarity	NPC475446
0.8265	Intermediate Similarity	NPC100912
0.8265	Intermediate Similarity	NPC311241
0.8252	Intermediate Similarity	NPC50124
0.8182	Intermediate Similarity	NPC72647
0.8182	Intermediate Similarity	NPC107806
0.8163	Intermediate Similarity	NPC16967
0.8144	Intermediate Similarity	NPC161998
0.8144	Intermediate Similarity	NPC191521
0.8144	Intermediate Similarity	NPC38830
0.8125	Intermediate Similarity	NPC49420
0.81	Intermediate Similarity	NPC16601
0.8081	Intermediate Similarity	NPC84335
0.8081	Intermediate Similarity	NPC38530
0.8065	Intermediate Similarity	NPC474013
0.8061	Intermediate Similarity	NPC276110
0.8058	Intermediate Similarity	NPC34768
0.8041	Intermediate Similarity	NPC162615
0.8041	Intermediate Similarity	NPC205034
0.8041	Intermediate Similarity	NPC152778
0.8039	Intermediate Similarity	NPC165608
0.8021	Intermediate Similarity	NPC310479
0.8	Intermediate Similarity	NPC472302
0.7957	Intermediate Similarity	NPC96055
0.7941	Intermediate Similarity	NPC475038
0.7941	Intermediate Similarity	NPC109195
0.7935	Intermediate Similarity	NPC471218
0.7912	Intermediate Similarity	NPC268827
0.7885	Intermediate Similarity	NPC477090
0.7879	Intermediate Similarity	NPC476519
0.7864	Intermediate Similarity	NPC45897
0.7864	Intermediate Similarity	NPC23584
0.7864	Intermediate Similarity	NPC474822
0.7857	Intermediate Similarity	NPC7349
0.7835	Intermediate Similarity	NPC182136
0.7835	Intermediate Similarity	NPC78973
0.7812	Intermediate Similarity	NPC106332
0.781	Intermediate Similarity	NPC179380
0.781	Intermediate Similarity	NPC302788
0.781	Intermediate Similarity	NPC475074
0.781	Intermediate Similarity	NPC180744
0.7789	Intermediate Similarity	NPC131813
0.7788	Intermediate Similarity	NPC165969
0.7778	Intermediate Similarity	NPC54996
0.7778	Intermediate Similarity	NPC189206
0.7778	Intermediate Similarity	NPC477129
0.7778	Intermediate Similarity	NPC477130
0.7778	Intermediate Similarity	NPC105490
0.7767	Intermediate Similarity	NPC476081
0.7767	Intermediate Similarity	NPC11956
0.7767	Intermediate Similarity	NPC472552
0.7766	Intermediate Similarity	NPC306951
0.7757	Intermediate Similarity	NPC253906
0.7745	Intermediate Similarity	NPC38855
0.7736	Intermediate Similarity	NPC181994
0.7723	Intermediate Similarity	NPC110937
0.7717	Intermediate Similarity	NPC269791
0.7706	Intermediate Similarity	NPC171126
0.77	Intermediate Similarity	NPC474909
0.77	Intermediate Similarity	NPC471915
0.77	Intermediate Similarity	NPC472441
0.77	Intermediate Similarity	NPC111273
0.7692	Intermediate Similarity	NPC184737
0.7692	Intermediate Similarity	NPC471938
0.767	Intermediate Similarity	NPC11974
0.767	Intermediate Similarity	NPC194028
0.767	Intermediate Similarity	NPC472554
0.767	Intermediate Similarity	NPC168319
0.7664	Intermediate Similarity	NPC299590
0.7664	Intermediate Similarity	NPC469370
0.7664	Intermediate Similarity	NPC75389
0.766	Intermediate Similarity	NPC12283
0.766	Intermediate Similarity	NPC474193
0.7653	Intermediate Similarity	NPC302280
0.7653	Intermediate Similarity	NPC220454
0.7653	Intermediate Similarity	NPC212679
0.7653	Intermediate Similarity	NPC8062
0.7653	Intermediate Similarity	NPC469595
0.7647	Intermediate Similarity	NPC474440
0.7642	Intermediate Similarity	NPC79298
0.7642	Intermediate Similarity	NPC43063
0.7629	Intermediate Similarity	NPC473879
0.7624	Intermediate Similarity	NPC154526
0.7624	Intermediate Similarity	NPC472362
0.7624	Intermediate Similarity	NPC165632
0.7624	Intermediate Similarity	NPC473153
0.7624	Intermediate Similarity	NPC472363
0.7619	Intermediate Similarity	NPC471937
0.7615	Intermediate Similarity	NPC44537
0.7604	Intermediate Similarity	NPC286153
0.7604	Intermediate Similarity	NPC471219
0.7596	Intermediate Similarity	NPC471914
0.7593	Intermediate Similarity	NPC478209
0.7593	Intermediate Similarity	NPC12795
0.7593	Intermediate Similarity	NPC177047
0.7579	Intermediate Similarity	NPC32223
0.7576	Intermediate Similarity	NPC329842
0.7576	Intermediate Similarity	NPC72845
0.7573	Intermediate Similarity	NPC476299
0.7573	Intermediate Similarity	NPC474012
0.757	Intermediate Similarity	NPC275060
0.7551	Intermediate Similarity	NPC173042
0.7551	Intermediate Similarity	NPC177141
0.7549	Intermediate Similarity	NPC51499
0.7549	Intermediate Similarity	NPC121402
0.7549	Intermediate Similarity	NPC224356
0.7549	Intermediate Similarity	NPC132753
0.7549	Intermediate Similarity	NPC2049
0.7549	Intermediate Similarity	NPC151681
0.7549	Intermediate Similarity	NPC175351
0.7547	Intermediate Similarity	NPC295843
0.7547	Intermediate Similarity	NPC478208
0.7547	Intermediate Similarity	NPC478052
0.7547	Intermediate Similarity	NPC51719
0.7547	Intermediate Similarity	NPC266570
0.7526	Intermediate Similarity	NPC476600
0.7526	Intermediate Similarity	NPC166857
0.7524	Intermediate Similarity	NPC120009
0.7524	Intermediate Similarity	NPC297617
0.7524	Intermediate Similarity	NPC120321
0.7523	Intermediate Similarity	NPC469655
0.7523	Intermediate Similarity	NPC469656
0.7523	Intermediate Similarity	NPC474846
0.7522	Intermediate Similarity	NPC213761
0.7522	Intermediate Similarity	NPC35171
0.75	Intermediate Similarity	NPC110022
0.75	Intermediate Similarity	NPC472954
0.75	Intermediate Similarity	NPC478204
0.75	Intermediate Similarity	NPC53555
0.75	Intermediate Similarity	NPC185287
0.75	Intermediate Similarity	NPC472812
0.75	Intermediate Similarity	NPC157380
0.75	Intermediate Similarity	NPC139692
0.75	Intermediate Similarity	NPC228477
0.75	Intermediate Similarity	NPC472640
0.75	Intermediate Similarity	NPC472641
0.75	Intermediate Similarity	NPC137911
0.7477	Intermediate Similarity	NPC122816
0.7477	Intermediate Similarity	NPC471205
0.7477	Intermediate Similarity	NPC67321
0.7477	Intermediate Similarity	NPC187435
0.7476	Intermediate Similarity	NPC275086
0.7476	Intermediate Similarity	NPC181147
0.7476	Intermediate Similarity	NPC92275
0.7476	Intermediate Similarity	NPC325229
0.7475	Intermediate Similarity	NPC472642
0.7475	Intermediate Similarity	NPC273199
0.7475	Intermediate Similarity	NPC38952
0.7475	Intermediate Similarity	NPC212369
0.7474	Intermediate Similarity	NPC193198
0.7474	Intermediate Similarity	NPC311070
0.7474	Intermediate Similarity	NPC52108
0.7474	Intermediate Similarity	NPC474789
0.7456	Intermediate Similarity	NPC112936
0.7455	Intermediate Similarity	NPC42658
0.7455	Intermediate Similarity	NPC222834
0.7453	Intermediate Similarity	NPC472822
0.7451	Intermediate Similarity	NPC190713
0.7449	Intermediate Similarity	NPC477128
0.7449	Intermediate Similarity	NPC471956
0.7447	Intermediate Similarity	NPC25554
0.7434	Intermediate Similarity	NPC108581
0.7434	Intermediate Similarity	NPC478206
0.7434	Intermediate Similarity	NPC16701
0.7434	Intermediate Similarity	NPC478205
0.7431	Intermediate Similarity	NPC103491
0.7429	Intermediate Similarity	NPC114540
0.7429	Intermediate Similarity	NPC273668
0.7429	Intermediate Similarity	NPC273005
0.7429	Intermediate Similarity	NPC165250
0.7429	Intermediate Similarity	NPC32577
0.7429	Intermediate Similarity	NPC469606
0.7429	Intermediate Similarity	NPC31058
0.7429	Intermediate Similarity	NPC162973
0.7429	Intermediate Similarity	NPC155332
0.7426	Intermediate Similarity	NPC201725
0.7426	Intermediate Similarity	NPC470255
0.7426	Intermediate Similarity	NPC84893
0.7426	Intermediate Similarity	NPC470697
0.7407	Intermediate Similarity	NPC304276
0.7407	Intermediate Similarity	NPC137462
0.7404	Intermediate Similarity	NPC473219
0.7404	Intermediate Similarity	NPC470761
0.7404	Intermediate Similarity	NPC473510
0.7404	Intermediate Similarity	NPC474190
0.7404	Intermediate Similarity	NPC324841
0.7404	Intermediate Similarity	NPC473204
0.74	Intermediate Similarity	NPC472811
0.74	Intermediate Similarity	NPC78594
0.74	Intermediate Similarity	NPC177641

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC260796 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	163
0.1-0.2	1178
0.2-0.3	3642
0.3-0.4	2586
0.4-0.5	1139
0.5-0.6	271
0.6-0.7	169
0.7-0.8	13
0.8-0.85	0
0.85-0.9	0
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.781	Intermediate Similarity	NPD5954	Clinical (unspecified phase)
0.7664	Intermediate Similarity	NPD4061	Clinical (unspecified phase)
0.7593	Intermediate Similarity	NPD5955	Clinical (unspecified phase)
0.7238	Intermediate Similarity	NPD6648	Approved
0.7188	Intermediate Similarity	NPD4752	Clinical (unspecified phase)
0.7143	Intermediate Similarity	NPD4225	Approved
0.7143	Intermediate Similarity	NPD7638	Approved
0.7143	Intermediate Similarity	NPD1694	Approved
0.7075	Intermediate Similarity	NPD7639	Approved
0.7075	Intermediate Similarity	NPD7640	Approved
0.7064	Intermediate Similarity	NPD6008	Approved
0.7043	Intermediate Similarity	NPD7115	Discovery
0.703	Intermediate Similarity	NPD6051	Approved
0.6923	Remote Similarity	NPD7900	Approved
0.6923	Remote Similarity	NPD7901	Clinical (unspecified phase)
0.69	Remote Similarity	NPD7146	Approved
0.69	Remote Similarity	NPD6409	Approved
0.69	Remote Similarity	NPD7334	Approved
0.69	Remote Similarity	NPD6684	Approved
0.69	Remote Similarity	NPD7521	Approved
0.69	Remote Similarity	NPD5330	Approved
0.6852	Remote Similarity	NPD5344	Discontinued
0.6838	Remote Similarity	NPD7327	Approved
0.6838	Remote Similarity	NPD7328	Approved
0.6832	Remote Similarity	NPD3573	Approved
0.6807	Remote Similarity	NPD7503	Approved
0.678	Remote Similarity	NPD7516	Approved
0.6765	Remote Similarity	NPD7513	Clinical (unspecified phase)
0.6765	Remote Similarity	NPD6903	Approved
0.6762	Remote Similarity	NPD7748	Approved
0.6757	Remote Similarity	NPD6675	Approved
0.6757	Remote Similarity	NPD7128	Approved
0.6757	Remote Similarity	NPD6402	Approved
0.6757	Remote Similarity	NPD5739	Approved
0.6731	Remote Similarity	NPD5693	Phase 1
0.6729	Remote Similarity	NPD7902	Approved
0.6698	Remote Similarity	NPD6356	Clinical (unspecified phase)
0.6697	Remote Similarity	NPD4159	Approved
0.6696	Remote Similarity	NPD5697	Approved
0.6696	Remote Similarity	NPD5701	Approved
0.6667	Remote Similarity	NPD6399	Phase 3
0.6637	Remote Similarity	NPD6881	Approved
0.6637	Remote Similarity	NPD7320	Approved
0.6637	Remote Similarity	NPD6899	Approved
0.6636	Remote Similarity	NPD7632	Discontinued
0.6604	Remote Similarity	NPD6001	Approved
0.6602	Remote Similarity	NPD6672	Approved
0.6602	Remote Similarity	NPD5737	Approved
0.6579	Remote Similarity	NPD6013	Approved
0.6579	Remote Similarity	NPD6372	Approved
0.6579	Remote Similarity	NPD6012	Approved
0.6579	Remote Similarity	NPD6014	Approved
0.6579	Remote Similarity	NPD6373	Approved
0.6571	Remote Similarity	NPD7515	Phase 2
0.6569	Remote Similarity	NPD3618	Phase 1
0.6556	Remote Similarity	NPD2685	Clinical (unspecified phase)
0.6529	Remote Similarity	NPD8379	Approved
0.6529	Remote Similarity	NPD8335	Approved
0.6529	Remote Similarity	NPD8378	Approved
0.6529	Remote Similarity	NPD8033	Approved
0.6529	Remote Similarity	NPD8380	Approved
0.6529	Remote Similarity	NPD8296	Approved
0.6522	Remote Similarity	NPD6883	Approved
0.6522	Remote Similarity	NPD7290	Approved
0.6522	Remote Similarity	NPD7102	Approved
0.6509	Remote Similarity	NPD4202	Approved
0.6491	Remote Similarity	NPD6011	Approved
0.6491	Remote Similarity	NPD6686	Approved
0.6476	Remote Similarity	NPD5692	Phase 3
0.6476	Remote Similarity	NPD5207	Approved
0.6466	Remote Similarity	NPD8130	Phase 1
0.6466	Remote Similarity	NPD6847	Approved
0.6466	Remote Similarity	NPD6649	Approved
0.6466	Remote Similarity	NPD6869	Approved
0.6466	Remote Similarity	NPD6617	Approved
0.6466	Remote Similarity	NPD6650	Approved
0.6446	Remote Similarity	NPD8377	Approved
0.6446	Remote Similarity	NPD8294	Approved
0.6442	Remote Similarity	NPD5208	Approved
0.6422	Remote Similarity	NPD6083	Phase 2
0.6422	Remote Similarity	NPD4755	Approved
0.6422	Remote Similarity	NPD6084	Phase 2
0.6415	Remote Similarity	NPD7637	Suspended
0.6415	Remote Similarity	NPD5694	Approved
0.6415	Remote Similarity	NPD6050	Approved
0.641	Remote Similarity	NPD8297	Approved
0.641	Remote Similarity	NPD6882	Approved
0.641	Remote Similarity	NPD6053	Discontinued
0.6389	Remote Similarity	NPD5695	Phase 3
0.6381	Remote Similarity	NPD7285	Clinical (unspecified phase)
0.6381	Remote Similarity	NPD6904	Approved
0.6381	Remote Similarity	NPD5328	Approved
0.6381	Remote Similarity	NPD6673	Approved
0.6381	Remote Similarity	NPD6080	Approved
0.6373	Remote Similarity	NPD7338	Clinical (unspecified phase)
0.6373	Remote Similarity	NPD6400	Clinical (unspecified phase)
0.6364	Remote Similarity	NPD7645	Phase 2
0.6364	Remote Similarity	NPD5696	Approved
0.6339	Remote Similarity	NPD5211	Phase 2
0.6337	Remote Similarity	NPD3667	Approved
0.6337	Remote Similarity	NPD5209	Approved
0.6325	Remote Similarity	NPD6401	Clinical (unspecified phase)
0.6321	Remote Similarity	NPD7838	Discovery
0.632	Remote Similarity	NPD7507	Approved
0.6311	Remote Similarity	NPD1696	Phase 3
0.6306	Remote Similarity	NPD5286	Approved
0.6306	Remote Similarity	NPD5285	Approved
0.6306	Remote Similarity	NPD4700	Approved
0.6306	Remote Similarity	NPD4696	Approved
0.63	Remote Similarity	NPD7525	Registered
0.6299	Remote Similarity	NPD7319	Approved
0.6289	Remote Similarity	NPD8039	Approved
0.6275	Remote Similarity	NPD6695	Phase 3
0.6273	Remote Similarity	NPD5959	Approved
0.6262	Remote Similarity	NPD6411	Approved
0.6262	Remote Similarity	NPD5281	Approved
0.6262	Remote Similarity	NPD6079	Approved
0.6262	Remote Similarity	NPD5284	Approved
0.625	Remote Similarity	NPD6098	Approved
0.625	Remote Similarity	NPD6274	Approved
0.6239	Remote Similarity	NPD5654	Approved
0.6228	Remote Similarity	NPD5141	Approved
0.6224	Remote Similarity	NPD3701	Clinical (unspecified phase)
0.6214	Remote Similarity	NPD4786	Approved
0.6214	Remote Similarity	NPD3666	Approved
0.6214	Remote Similarity	NPD3668	Phase 3
0.6214	Remote Similarity	NPD3665	Phase 1
0.6214	Remote Similarity	NPD3133	Approved
0.6207	Remote Similarity	NPD5345	Clinical (unspecified phase)
0.6195	Remote Similarity	NPD5226	Approved
0.6195	Remote Similarity	NPD5225	Approved
0.6195	Remote Similarity	NPD5224	Approved
0.6195	Remote Similarity	NPD4633	Approved
0.614	Remote Similarity	NPD5174	Approved
0.614	Remote Similarity	NPD5175	Approved
0.6139	Remote Similarity	NPD6931	Approved
0.6139	Remote Similarity	NPD6930	Phase 2
0.6122	Remote Similarity	NPD6942	Approved
0.6122	Remote Similarity	NPD7339	Approved
0.6111	Remote Similarity	NPD8035	Phase 2
0.6111	Remote Similarity	NPD8034	Phase 2
0.6106	Remote Similarity	NPD5223	Approved
0.6098	Remote Similarity	NPD7101	Approved
0.6098	Remote Similarity	NPD7100	Approved
0.6095	Remote Similarity	NPD3574	Clinical (unspecified phase)
0.6095	Remote Similarity	NPD5279	Phase 3
0.6095	Remote Similarity	NPD4623	Approved
0.6095	Remote Similarity	NPD4519	Discontinued
0.6087	Remote Similarity	NPD5325	Clinical (unspecified phase)
0.6083	Remote Similarity	NPD4632	Approved
0.6075	Remote Similarity	NPD4753	Phase 2
0.6075	Remote Similarity	NPD6101	Approved
0.6075	Remote Similarity	NPD5764	Clinical (unspecified phase)
0.6075	Remote Similarity	NPD1695	Approved
0.6066	Remote Similarity	NPD6317	Approved
0.6055	Remote Similarity	NPD5778	Approved
0.6055	Remote Similarity	NPD5779	Approved
0.6048	Remote Similarity	NPD6319	Approved
0.604	Remote Similarity	NPD4195	Approved
0.604	Remote Similarity	NPD6929	Approved
0.6038	Remote Similarity	NPD4751	Clinical (unspecified phase)
0.6038	Remote Similarity	NPD7524	Approved
0.6038	Remote Similarity	NPD7750	Discontinued
0.6036	Remote Similarity	NPD5221	Approved
0.6036	Remote Similarity	NPD5220	Clinical (unspecified phase)
0.6036	Remote Similarity	NPD4697	Phase 3
0.6036	Remote Similarity	NPD5222	Approved
0.6034	Remote Similarity	NPD4768	Approved
0.6034	Remote Similarity	NPD4767	Approved
0.602	Remote Similarity	NPD6926	Approved
0.602	Remote Similarity	NPD6924	Approved
0.6019	Remote Similarity	NPD46	Approved
0.6019	Remote Similarity	NPD4221	Approved
0.6019	Remote Similarity	NPD4223	Phase 3
0.6019	Remote Similarity	NPD6698	Approved
0.6016	Remote Similarity	NPD6313	Approved
0.6016	Remote Similarity	NPD6314	Approved
0.6016	Remote Similarity	NPD6335	Approved
0.6	Remote Similarity	NPD6908	Approved
0.6	Remote Similarity	NPD4754	Approved
0.6	Remote Similarity	NPD6909	Approved
0.6	Remote Similarity	NPD7520	Clinical (unspecified phase)
0.5982	Remote Similarity	NPD5173	Approved
0.598	Remote Similarity	NPD7332	Phase 2
0.598	Remote Similarity	NPD7509	Discontinued
0.598	Remote Similarity	NPD4695	Discontinued
0.598	Remote Similarity	NPD7514	Phase 3
0.596	Remote Similarity	NPD8264	Approved
0.5952	Remote Similarity	NPD3412	Clinical (unspecified phase)
0.5943	Remote Similarity	NPD5280	Approved
0.5943	Remote Similarity	NPD4694	Approved
0.5941	Remote Similarity	NPD3617	Approved
0.5935	Remote Similarity	NPD6009	Approved
0.5932	Remote Similarity	NPD4730	Approved
0.5932	Remote Similarity	NPD4729	Approved
0.5932	Remote Similarity	NPD5128	Approved
0.5922	Remote Similarity	NPD6902	Approved
0.5906	Remote Similarity	NPD7604	Phase 2
0.5905	Remote Similarity	NPD4197	Approved
0.59	Remote Similarity	NPD6933	Approved

Structure

CID260796 OpenBabel06191716062D 23 27 0 0 1 0 0 0 0 0999 V2000 -2.9921 -0.2601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0981 1.6340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5981 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 4.0000 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 2.5981 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 3.5000 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 -0.8660 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6831 0.6910 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 1.7321 2.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0000 2.0000 0.0000 C 0 0 1 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 2 0 0 0 0 0 0 0 0 0 -3.2709 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 2.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0000 1.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.2709 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6831 2.3090 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 18 1 0 0 0 0 3 18 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 6 9 1 0 0 0 0 6 13 1 0 0 0 0 7 18 1 0 0 0 0 8 19 1 0 0 0 0 10 12 2 0 0 0 0 10 14 1 0 0 0 0 11 15 2 0 0 0 0 11 17 1 0 0 0 0 12 15 1 0 0 0 0 12 22 1 0 0 0 0 13 18 1 0 0 0 0 13 19 1 1 0 0 0 14 19 1 1 0 0 0 14 20 1 0 0 0 0 15 16 1 0 0 0 0 16 20 1 1 0 0 0 16 23 1 0 0 0 0 17 21 2 0 0 0 0 17 22 1 0 0 0 0 19 4 1 1 0 0 0 20 9 1 1 0 0 0 20 23 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	161953
ChEMBL	CHEMBL1982058
ZINC

Physicochemical Properties

Molecular Weight:	314.19
ALogP:	1.4317
MLogP:	3.33
XLogP:	5.212
# Rotatable Bonds:	4
Polar Surface Area:	38.83
# H-Bond Aceptor:	3
# H-Bond Donor:	0
# Rings:	5
# Heavy Atoms:	23

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