NPASS Natural Product

Natural Product: NPC71260

Natural Product ID:	NPC71260
Common Name:	Polyozellin
IUPAC Name:
Synonyms:	Polyozellin
Molecular Formula:	C22H14O10
Standard InCHIKey:	CCNILPFRYYKQOP-UHFFFAOYSA-N
Standard InCHI:	InChI=1S/C22H14O10/c1-7(23)29-19-17-9-3-11(25)13(27)5-15(9)32-22(17)20(30-8(2)24)18-10-4-12(26)14(28)6-16(10)31-21(18)19/h3-6,25-28H,1-2H3
Canonical SMILES:	CC(=O)Oc1c2oc3c(c2c(c2c1c1cc(O)c(cc1o2)O)OC(=O)C)cc(c(c3)O)O
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
NPO7806	Polyozellus multiplex	Species	Thelephoraceae	Eukaryota				PMID[24601669]

Biological Activity

Activity Type	# Activity
GI50	54
IC50	3

Activity Type	# Activity
Cell Line	55
Individual Protein	2

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT456	Cell Line	OVCAR-4	Homo sapiens	GI50		19815.27	nM	22934600
NPT384	Cell Line	TK-10	Homo sapiens	GI50		18923.44	nM	18980381
NPT388	Cell Line	NCI-H322M	Homo sapiens	GI50		58479.01	nM	DrugMatrix in vitro pharmacology data
NPT737	Cell Line	HUVEC	Homo sapiens	IC50	=	10200	nM	PubChem BioAssay data set
NPT170	Cell Line	SK-MEL-28	Homo sapiens	GI50		21134.89	nM	1360492
NPT323	Cell Line	SW-620	Homo sapiens	GI50		23173.95	nM	PubChem BioAssay data set
NPT392	Cell Line	SNB-75	Homo sapiens	GI50		15776.11	nM	20061160
NPT148	Cell Line	HCT-15	Homo sapiens	GI50		25176.77	nM	20462230
NPT399	Cell Line	SF-295	Homo sapiens	GI50		16672.47	nM	16408090
NPT377	Cell Line	OVCAR-3	Homo sapiens	GI50		10000	nM	17764933
NPT401	Cell Line	786-0	Homo sapiens	GI50		25234.81	nM	DrugMatrix in vitro pharmacology data
NPT1478	Individual Protein	Vascular endothelial growth factor receptor 2	Homo sapiens	IC50	=	66000	nM	15217276
NPT383	Cell Line	SNB-19	Homo sapiens	GI50		23659.2	nM	23611151
NPT397	Cell Line	NCI-H460	Homo sapiens	GI50		18620.87	nM	25739048
NPT402	Cell Line	Hs-578T	Homo sapiens	GI50		12189.9	nM	25537529
NPT386	Cell Line	KM12	Homo sapiens	GI50		20323.57	nM	24863745
NPT404	Cell Line	CCRF-CEM	Homo sapiens	GI50		2570.4	nM	PubChem BioAssay data set
NPT147	Cell Line	SK-MEL-2	Homo sapiens	GI50		20511.62	nM	19097799
NPT391	Cell Line	HCC 2998	Homo sapiens	GI50		16943.38	nM	PubChem BioAssay data set
NPT395	Cell Line	SF-268	Homo sapiens	GI50		20701.41	nM	16441083
NPT116	Cell Line	HL-60	Homo sapiens	GI50		3076.1	nM	15165148
NPT380	Cell Line	U-251	Homo sapiens	GI50		1559.55	nM	8277312
NPT398	Cell Line	UACC-62	Homo sapiens	GI50		16595.87	nM	PubChem BioAssay data set
NPT375	Cell Line	Malme-3M	Homo sapiens	GI50		17060.82	nM	PubChem BioAssay data set
NPT381	Cell Line	OVCAR-8	Homo sapiens	GI50		20230.19	nM	DrugMatrix in vitro pharmacology data
NPT373	Cell Line	SK-MEL-5	Homo sapiens	GI50		18620.87	nM	17403996
NPT405	Cell Line	NCI-H226	Homo sapiens	GI50		19230.92	nM	22194678
NPT139	Cell Line	HT-29	Homo sapiens	GI50		26424.09	nM	21930377
NPT393	Cell Line	HCT-116	Homo sapiens	GI50		18706.82	nM	24549242
NPT369	Cell Line	ACHN	Homo sapiens	GI50		20844.91	nM	19128055
NPT146	Cell Line	SK-OV-3	Homo sapiens	GI50		20844.91	nM	19128055
NPT81	Cell Line	A549	Homo sapiens	GI50		34994.52	nM	DrugMatrix in vitro pharmacology data
NPT403	Cell Line	UACC-257	Homo sapiens	GI50		19408.86	nM	23758051
NPT407	Cell Line	COLO 205	Homo sapiens	GI50		15381.55	nM	18715034
NPT308	Cell Line	CAKI-1	Homo sapiens	GI50		29174.27	nM	17503850
NPT368	Cell Line	SN12C	Homo sapiens	GI50		20941.12	nM	10650082
NPT390	Cell Line	LOX IMVI	Homo sapiens	GI50		24490.63	nM	12444692
NPT385	Cell Line	SR	Homo sapiens	GI50		4395.42	nM	PubChem BioAssay data set
NPT458	Cell Line	IGROV-1	Homo sapiens	GI50		18238.96	nM	18183025
NPT379	Cell Line	HOP-62	Homo sapiens	GI50		16106.46	nM	22037378
NPT382	Cell Line	OVCAR-5	Homo sapiens	GI50		25468.3	nM	DrugMatrix in vitro pharmacology data
NPT112	Cell Line	MOLT-4	Homo sapiens	GI50		2636.33	nM	23360215
NPT389	Cell Line	RPMI-8226	Homo sapiens	GI50		10000	nM	25884112
NPT111	Cell Line	K562	Homo sapiens	GI50		19054.61	nM	20055495
NPT457	Cell Line	BT-549	Homo sapiens	GI50		17139.57	nM	PubChem BioAssay data set
NPT455	Cell Line	NCI-H522	Homo sapiens	GI50		10256.52	nM	16792412
NPT387	Cell Line	M14	Homo sapiens	GI50		23442.29	nM	11421731
NPT406	Cell Line	RXF 393	Homo sapiens	GI50		18071.74	nM	25856683
NPT6363	Individual Protein	Elastase 1	Homo sapiens	IC50	=	2720	nM	19708679
NPT378	Cell Line	NCI/ADR-RES	Homo sapiens	GI50		35318.32	nM	26035018
NPT306	Cell Line	PC-3	Homo sapiens	GI50		19769.7	nM	20491501
NPT374	Cell Line	SF-539	Homo sapiens	GI50		23014.42	nM	19487444
NPT370	Cell Line	NCI-H23	Homo sapiens	GI50		2393.32	nM	Open TG-GATES in vivo data: Pathology
NPT367	Cell Line	MDA-N	Homo sapiens	GI50		23604.78	nM	PubChem BioAssay data set
NPT371	Cell Line	UO-31	Homo sapiens	GI50		21037.78	nM	26200131
NPT400	Cell Line	MDA-MB-435	Homo sapiens	GI50		1819.7	nM	22624550
NPT394	Cell Line	EKVX	Homo sapiens	GI50		20558.91	nM	24016057

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 NPC71260 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	368
0.1-0.2	1659
0.2-0.3	3341
0.3-0.4	7321
0.4-0.5	5415
0.5-0.6	3123
0.6-0.7	4436
0.7-0.8	4343
0.8-0.85	790
0.85-0.9	72
0.9-0.95	18
0.95-1	3

Similarity Score	Similarity Level	Natural Product ID
0.9586	High Similarity	NPC24258
0.9586	High Similarity	NPC471841
0.9529	High Similarity	NPC98546
0.9477	High Similarity	NPC471842
0.9467	High Similarity	NPC117450
0.9415	High Similarity	NPC297807
0.9306	High Similarity	NPC47883
0.9181	High Similarity	NPC230619
0.9181	High Similarity	NPC54098
0.9148	High Similarity	NPC226725
0.9128	High Similarity	NPC216842
0.9128	High Similarity	NPC476640
0.9128	High Similarity	NPC82217
0.9118	High Similarity	NPC470704
0.9101	High Similarity	NPC295436
0.9096	High Similarity	NPC248315
0.9091	High Similarity	NPC154527
0.9075	High Similarity	NPC287243
0.9023	High Similarity	NPC49667
0.9023	High Similarity	NPC8127
0.9012	High Similarity	NPC476641
0.8977	High Similarity	NPC475996
0.8953	High Similarity	NPC202470
0.8944	High Similarity	NPC60848
0.8908	High Similarity	NPC65885
0.8895	High Similarity	NPC86477
0.8889	High Similarity	NPC45449
0.8882	High Similarity	NPC238995
0.883	High Similarity	NPC1706
0.883	High Similarity	NPC263092
0.883	High Similarity	NPC59295
0.883	High Similarity	NPC39305
0.883	High Similarity	NPC1755
0.88	High Similarity	NPC37606
0.88	High Similarity	NPC149846
0.8793	High Similarity	NPC78830
0.8793	High Similarity	NPC28042
0.8793	High Similarity	NPC218533
0.8779	High Similarity	NPC29411
0.8779	High Similarity	NPC36320
0.8757	High Similarity	NPC77179
0.8757	High Similarity	NPC23553
0.875	High Similarity	NPC289244
0.8743	High Similarity	NPC158226
0.8736	High Similarity	NPC280493
0.8736	High Similarity	NPC163130
0.8736	High Similarity	NPC165979
0.8715	High Similarity	NPC240508
0.8713	High Similarity	NPC188486
0.8706	High Similarity	NPC196879
0.8693	High Similarity	NPC30550
0.8693	High Similarity	NPC473834
0.8693	High Similarity	NPC277510
0.8693	High Similarity	NPC261471
0.8686	High Similarity	NPC72696
0.8678	High Similarity	NPC95715
0.8663	High Similarity	NPC84515
0.8663	High Similarity	NPC272722
0.8663	High Similarity	NPC312056
0.8652	High Similarity	NPC221820
0.8644	High Similarity	NPC245975
0.8636	High Similarity	NPC174700
0.8636	High Similarity	NPC247964
0.8629	High Similarity	NPC247136
0.8629	High Similarity	NPC99613
0.8629	High Similarity	NPC49487
0.8621	High Similarity	NPC29160
0.8613	High Similarity	NPC133065
0.8611	High Similarity	NPC228209
0.8611	High Similarity	NPC246153
0.8603	High Similarity	NPC476273
0.8596	High Similarity	NPC16935
0.8596	High Similarity	NPC164384
0.8588	High Similarity	NPC472461
0.8588	High Similarity	NPC45131
0.8588	High Similarity	NPC233956
0.858	High Similarity	NPC281835
0.858	High Similarity	NPC109827
0.858	High Similarity	NPC124470
0.8571	High Similarity	NPC234331
0.8571	High Similarity	NPC50394
0.8563	High Similarity	NPC8070
0.8563	High Similarity	NPC39306
0.8547	High Similarity	NPC207467
0.8547	High Similarity	NPC130955
0.8531	High Similarity	NPC28589
0.8531	High Similarity	NPC248593
0.8523	High Similarity	NPC476279
0.8521	High Similarity	NPC125300
0.8508	High Similarity	NPC8927
0.8508	High Similarity	NPC182693
0.8506	High Similarity	NPC89131
0.85	High Similarity	NPC473785
0.8497	Intermediate Similarity	NPC231758
0.8488	Intermediate Similarity	NPC195832
0.8488	Intermediate Similarity	NPC193842
0.848	Intermediate Similarity	NPC268161
0.847	Intermediate Similarity	NPC240808
0.847	Intermediate Similarity	NPC174486
0.8466	Intermediate Similarity	NPC247973
0.8462	Intermediate Similarity	NPC476170
0.8457	Intermediate Similarity	NPC187923
0.8457	Intermediate Similarity	NPC291110
0.8457	Intermediate Similarity	NPC37183
0.8453	Intermediate Similarity	NPC97523
0.8453	Intermediate Similarity	NPC265795
0.8448	Intermediate Similarity	NPC93739
0.8444	Intermediate Similarity	NPC246877
0.8439	Intermediate Similarity	NPC300680
0.8436	Intermediate Similarity	NPC227906
0.8436	Intermediate Similarity	NPC236327
0.8436	Intermediate Similarity	NPC290304
0.8436	Intermediate Similarity	NPC53917
0.843	Intermediate Similarity	NPC78302
0.843	Intermediate Similarity	NPC305663
0.843	Intermediate Similarity	NPC176665
0.843	Intermediate Similarity	NPC235215
0.843	Intermediate Similarity	NPC163524
0.843	Intermediate Similarity	NPC7973
0.843	Intermediate Similarity	NPC472438
0.843	Intermediate Similarity	NPC29841
0.843	Intermediate Similarity	NPC287979
0.8427	Intermediate Similarity	NPC476370
0.8418	Intermediate Similarity	NPC211309
0.8415	Intermediate Similarity	NPC304322
0.8409	Intermediate Similarity	NPC277480
0.84	Intermediate Similarity	NPC284007
0.84	Intermediate Similarity	NPC110257
0.84	Intermediate Similarity	NPC300984
0.84	Intermediate Similarity	NPC67959
0.8391	Intermediate Similarity	NPC303565
0.8389	Intermediate Similarity	NPC107244
0.8382	Intermediate Similarity	NPC7846
0.8382	Intermediate Similarity	NPC115798
0.8382	Intermediate Similarity	NPC204854
0.8382	Intermediate Similarity	NPC191459
0.8382	Intermediate Similarity	NPC130894
0.8382	Intermediate Similarity	NPC152166
0.8382	Intermediate Similarity	NPC25495
0.8382	Intermediate Similarity	NPC300943
0.8382	Intermediate Similarity	NPC261004
0.8382	Intermediate Similarity	NPC18772
0.8382	Intermediate Similarity	NPC288669
0.8382	Intermediate Similarity	NPC4481
0.8382	Intermediate Similarity	NPC9609
0.8382	Intermediate Similarity	NPC19687
0.8382	Intermediate Similarity	NPC22472
0.8382	Intermediate Similarity	NPC105242
0.8382	Intermediate Similarity	NPC18607
0.8382	Intermediate Similarity	NPC176300
0.8382	Intermediate Similarity	NPC253634
0.8382	Intermediate Similarity	NPC143828
0.838	Intermediate Similarity	NPC476374
0.838	Intermediate Similarity	NPC310794
0.8372	Intermediate Similarity	NPC474520
0.8372	Intermediate Similarity	NPC98661
0.8372	Intermediate Similarity	NPC245546
0.8372	Intermediate Similarity	NPC200388
0.8372	Intermediate Similarity	NPC43243
0.8372	Intermediate Similarity	NPC100916
0.8372	Intermediate Similarity	NPC266960
0.8372	Intermediate Similarity	NPC247017
0.8372	Intermediate Similarity	NPC55619
0.837	Intermediate Similarity	NPC47905
0.837	Intermediate Similarity	NPC73929
0.837	Intermediate Similarity	NPC139683
0.8362	Intermediate Similarity	NPC76482
0.8362	Intermediate Similarity	NPC241820
0.8353	Intermediate Similarity	NPC171010
0.8352	Intermediate Similarity	NPC267153
0.8343	Intermediate Similarity	NPC471745
0.8343	Intermediate Similarity	NPC294965
0.8343	Intermediate Similarity	NPC108767
0.8333	Intermediate Similarity	NPC84571
0.8333	Intermediate Similarity	NPC139350
0.8333	Intermediate Similarity	NPC246478
0.8333	Intermediate Similarity	NPC471744
0.8333	Intermediate Similarity	NPC224165
0.8324	Intermediate Similarity	NPC189179
0.8324	Intermediate Similarity	NPC185526
0.8324	Intermediate Similarity	NPC224137
0.8324	Intermediate Similarity	NPC93376
0.8324	Intermediate Similarity	NPC227192
0.8324	Intermediate Similarity	NPC203891
0.8324	Intermediate Similarity	NPC101830
0.8324	Intermediate Similarity	NPC475964
0.8324	Intermediate Similarity	NPC110070
0.8324	Intermediate Similarity	NPC75215
0.8314	Intermediate Similarity	NPC201451
0.8314	Intermediate Similarity	NPC44079
0.8314	Intermediate Similarity	NPC208197
0.8314	Intermediate Similarity	NPC214138
0.8314	Intermediate Similarity	NPC80489
0.8314	Intermediate Similarity	NPC26227
0.8306	Intermediate Similarity	NPC475656
0.8306	Intermediate Similarity	NPC475148
0.8305	Intermediate Similarity	NPC272560
0.8304	Intermediate Similarity	NPC304954
0.8304	Intermediate Similarity	NPC39007
0.8304	Intermediate Similarity	NPC289968

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC71260 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	367
0.1-0.2	1006
0.2-0.3	1998
0.3-0.4	2807
0.4-0.5	1823
0.5-0.6	777
0.6-0.7	278
0.7-0.8	91
0.8-0.85	14
0.85-0.9	0
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.8266	Intermediate Similarity	NPD3882	Suspended
0.8239	Intermediate Similarity	NPD6232	Discontinued
0.8202	Intermediate Similarity	NPD7473	Discontinued
0.815	Intermediate Similarity	NPD2801	Approved
0.815	Intermediate Similarity	NPD1465	Phase 2
0.8114	Intermediate Similarity	NPD3749	Approved
0.8103	Intermediate Similarity	NPD3817	Phase 2
0.8079	Intermediate Similarity	NPD1247	Approved
0.8057	Intermediate Similarity	NPD4868	Clinical (unspecified phase)
0.8045	Intermediate Similarity	NPD6168	Clinical (unspecified phase)
0.8045	Intermediate Similarity	NPD6167	Clinical (unspecified phase)
0.8045	Intermediate Similarity	NPD6166	Phase 2
0.8033	Intermediate Similarity	NPD4338	Clinical (unspecified phase)
0.8011	Intermediate Similarity	NPD5844	Phase 1
0.7989	Intermediate Similarity	NPD1934	Approved
0.7989	Intermediate Similarity	NPD3926	Phase 2
0.7966	Intermediate Similarity	NPD919	Approved
0.7956	Intermediate Similarity	NPD3818	Discontinued
0.7953	Intermediate Similarity	NPD1512	Approved
0.7923	Intermediate Similarity	NPD7993	Clinical (unspecified phase)
0.7836	Intermediate Similarity	NPD1511	Approved
0.7816	Intermediate Similarity	NPD3226	Approved
0.7809	Intermediate Similarity	NPD7075	Discontinued
0.7784	Intermediate Similarity	NPD6559	Discontinued
0.7778	Intermediate Similarity	NPD8397	Clinical (unspecified phase)
0.7771	Intermediate Similarity	NPD6599	Discontinued
0.774	Intermediate Similarity	NPD2393	Clinical (unspecified phase)
0.7722	Intermediate Similarity	NPD5494	Approved
0.7697	Intermediate Similarity	NPD5402	Approved
0.7684	Intermediate Similarity	NPD6801	Discontinued
0.768	Intermediate Similarity	NPD6959	Discontinued
0.765	Intermediate Similarity	NPD7852	Clinical (unspecified phase)
0.764	Intermediate Similarity	NPD7096	Clinical (unspecified phase)
0.7634	Intermediate Similarity	NPD6797	Phase 2
0.763	Intermediate Similarity	NPD6799	Approved
0.7627	Intermediate Similarity	NPD7411	Suspended
0.7596	Intermediate Similarity	NPD7184	Clinical (unspecified phase)
0.7594	Intermediate Similarity	NPD7251	Discontinued
0.7581	Intermediate Similarity	NPD7074	Phase 3
0.7569	Intermediate Similarity	NPD6234	Discontinued
0.7553	Intermediate Similarity	NPD7808	Phase 3
0.7527	Intermediate Similarity	NPD7054	Approved
0.7526	Intermediate Similarity	NPD8055	Clinical (unspecified phase)
0.7513	Intermediate Similarity	NPD7879	Clinical (unspecified phase)
0.75	Intermediate Similarity	NPD920	Approved
0.75	Intermediate Similarity	NPD6980	Clinical (unspecified phase)
0.75	Intermediate Similarity	NPD1243	Approved
0.7487	Intermediate Similarity	NPD8434	Phase 2
0.7487	Intermediate Similarity	NPD7472	Approved
0.7486	Intermediate Similarity	NPD4378	Clinical (unspecified phase)
0.7485	Intermediate Similarity	NPD2344	Approved
0.7444	Intermediate Similarity	NPD7819	Suspended
0.7403	Intermediate Similarity	NPD8443	Clinical (unspecified phase)
0.7391	Intermediate Similarity	NPD7199	Phase 2
0.7386	Intermediate Similarity	NPD2534	Approved
0.7386	Intermediate Similarity	NPD2533	Approved
0.7386	Intermediate Similarity	NPD7410	Clinical (unspecified phase)
0.7386	Intermediate Similarity	NPD2532	Approved
0.7363	Intermediate Similarity	NPD7768	Phase 2
0.7363	Intermediate Similarity	NPD4966	Approved
0.7363	Intermediate Similarity	NPD4965	Approved
0.7363	Intermediate Similarity	NPD4967	Phase 2
0.7322	Intermediate Similarity	NPD4381	Clinical (unspecified phase)
0.7314	Intermediate Similarity	NPD2309	Approved
0.7303	Intermediate Similarity	NPD5403	Approved
0.7299	Intermediate Similarity	NPD2800	Approved
0.7294	Intermediate Similarity	NPD447	Suspended
0.7288	Intermediate Similarity	NPD642	Clinical (unspecified phase)
0.7288	Intermediate Similarity	NPD5401	Approved
0.7287	Intermediate Similarity	NPD3751	Discontinued
0.7287	Intermediate Similarity	NPD7228	Approved
0.7278	Intermediate Similarity	NPD4380	Phase 2
0.7257	Intermediate Similarity	NPD3750	Approved
0.7251	Intermediate Similarity	NPD1607	Approved
0.7249	Intermediate Similarity	NPD7804	Clinical (unspecified phase)
0.7241	Intermediate Similarity	NPD1549	Phase 2
0.7241	Intermediate Similarity	NPD970	Clinical (unspecified phase)
0.7235	Intermediate Similarity	NPD943	Approved
0.7232	Intermediate Similarity	NPD6143	Clinical (unspecified phase)
0.7231	Intermediate Similarity	NPD4287	Approved
0.7216	Intermediate Similarity	NPD6190	Approved
0.72	Intermediate Similarity	NPD7421	Clinical (unspecified phase)
0.7198	Intermediate Similarity	NPD37	Approved
0.7193	Intermediate Similarity	NPD230	Phase 1
0.7189	Intermediate Similarity	NPD5537	Clinical (unspecified phase)
0.7184	Intermediate Similarity	NPD1471	Phase 3
0.7184	Intermediate Similarity	NPD1552	Clinical (unspecified phase)
0.7184	Intermediate Similarity	NPD1550	Clinical (unspecified phase)
0.7175	Intermediate Similarity	NPD643	Clinical (unspecified phase)
0.7168	Intermediate Similarity	NPD1510	Phase 2
0.7168	Intermediate Similarity	NPD1509	Clinical (unspecified phase)
0.7143	Intermediate Similarity	NPD7435	Discontinued
0.7135	Intermediate Similarity	NPD7390	Discontinued
0.7135	Intermediate Similarity	NPD1240	Approved
0.7126	Intermediate Similarity	NPD1551	Phase 2
0.7126	Intermediate Similarity	NPD2935	Discontinued
0.7086	Intermediate Similarity	NPD2346	Discontinued
0.7069	Intermediate Similarity	NPD651	Clinical (unspecified phase)
0.7062	Intermediate Similarity	NPD4628	Phase 3
0.7062	Intermediate Similarity	NPD8313	Approved
0.7062	Intermediate Similarity	NPD8312	Approved
0.7053	Intermediate Similarity	NPD8151	Discontinued
0.7029	Intermediate Similarity	NPD2796	Approved
0.7016	Intermediate Similarity	NPD7893	Clinical (unspecified phase)
0.7	Intermediate Similarity	NPD2403	Approved
0.6995	Remote Similarity	NPD6777	Approved
0.6995	Remote Similarity	NPD6779	Approved
0.6995	Remote Similarity	NPD6778	Approved
0.6995	Remote Similarity	NPD6782	Approved
0.6995	Remote Similarity	NPD6780	Approved
0.6995	Remote Similarity	NPD6781	Approved
0.6995	Remote Similarity	NPD6776	Approved
0.6984	Remote Similarity	NPD3787	Discontinued
0.6978	Remote Similarity	NPD1653	Approved
0.6971	Remote Similarity	NPD3748	Approved
0.6966	Remote Similarity	NPD6398	Clinical (unspecified phase)
0.6954	Remote Similarity	NPD8150	Discontinued
0.6941	Remote Similarity	NPD1530	Clinical (unspecified phase)
0.6938	Remote Similarity	NPD7874	Approved
0.6938	Remote Similarity	NPD7875	Clinical (unspecified phase)
0.6931	Remote Similarity	NPD8090	Clinical (unspecified phase)
0.6912	Remote Similarity	NPD7501	Clinical (unspecified phase)
0.6907	Remote Similarity	NPD5953	Discontinued
0.6906	Remote Similarity	NPD7422	Clinical (unspecified phase)
0.6906	Remote Similarity	NPD7004	Clinical (unspecified phase)
0.6905	Remote Similarity	NPD7783	Phase 2
0.6905	Remote Similarity	NPD7782	Clinical (unspecified phase)
0.6901	Remote Similarity	NPD1529	Clinical (unspecified phase)
0.6895	Remote Similarity	NPD5711	Approved
0.6895	Remote Similarity	NPD5710	Approved
0.6893	Remote Similarity	NPD2343	Clinical (unspecified phase)
0.6875	Remote Similarity	NPD2799	Discontinued
0.6872	Remote Similarity	NPD1878	Clinical (unspecified phase)
0.6872	Remote Similarity	NPD7240	Approved
0.686	Remote Similarity	NPD7870	Phase 2
0.686	Remote Similarity	NPD7871	Phase 2
0.6845	Remote Similarity	NPD2296	Approved
0.6836	Remote Similarity	NPD5405	Approved
0.6836	Remote Similarity	NPD6100	Approved
0.6836	Remote Similarity	NPD5404	Approved
0.6836	Remote Similarity	NPD5406	Approved
0.6836	Remote Similarity	NPD5408	Approved
0.6836	Remote Similarity	NPD6099	Approved
0.6824	Remote Similarity	NPD1203	Approved
0.6821	Remote Similarity	NPD2313	Discontinued
0.6821	Remote Similarity	NPD3268	Approved
0.6821	Remote Similarity	NPD3764	Approved
0.6812	Remote Similarity	NPD7696	Phase 3
0.6812	Remote Similarity	NPD7698	Approved
0.6812	Remote Similarity	NPD7697	Approved
0.6806	Remote Similarity	NPD7229	Phase 3
0.6806	Remote Similarity	NPD6808	Phase 2
0.6804	Remote Similarity	NPD7286	Phase 2
0.68	Remote Similarity	NPD1933	Approved
0.6786	Remote Similarity	NPD7685	Pre-registration
0.6782	Remote Similarity	NPD6233	Phase 2
0.678	Remote Similarity	NPD4308	Phase 3
0.6768	Remote Similarity	NPD7090	Clinical (unspecified phase)
0.6762	Remote Similarity	NPD7701	Phase 2
0.6753	Remote Similarity	NPD2163	Approved
0.6749	Remote Similarity	NPD6534	Approved
0.6749	Remote Similarity	NPD6535	Approved
0.6746	Remote Similarity	NPD9269	Phase 2
0.6743	Remote Similarity	NPD1613	Approved
0.6743	Remote Similarity	NPD1612	Clinical (unspecified phase)
0.6724	Remote Similarity	NPD6859	Clinical (unspecified phase)
0.6724	Remote Similarity	NPD411	Approved
0.6724	Remote Similarity	NPD6798	Discontinued
0.6697	Remote Similarity	NPD7907	Approved
0.6697	Remote Similarity	NPD8155	Clinical (unspecified phase)
0.6684	Remote Similarity	NPD5242	Approved
0.6667	Remote Similarity	NPD5808	Clinical (unspecified phase)
0.6667	Remote Similarity	NPD8127	Discontinued
0.6667	Remote Similarity	NPD7801	Approved
0.6667	Remote Similarity	NPD7549	Discontinued
0.6651	Remote Similarity	NPD7680	Approved
0.665	Remote Similarity	NPD7699	Phase 2
0.665	Remote Similarity	NPD7700	Phase 2
0.6648	Remote Similarity	NPD2354	Approved
0.6647	Remote Similarity	NPD9717	Approved
0.6628	Remote Similarity	NPD3266	Approved
0.6628	Remote Similarity	NPD3267	Approved
0.6619	Remote Similarity	NPD8320	Phase 1
0.6619	Remote Similarity	NPD8319	Approved
0.6618	Remote Similarity	NPD7237	Clinical (unspecified phase)
0.6616	Remote Similarity	NPD7039	Approved
0.6616	Remote Similarity	NPD7038	Approved
0.661	Remote Similarity	NPD1899	Clinical (unspecified phase)
0.661	Remote Similarity	NPD6355	Discontinued
0.6609	Remote Similarity	NPD6832	Phase 2
0.6583	Remote Similarity	NPD4419	Clinical (unspecified phase)
0.6582	Remote Similarity	NPD7177	Discontinued
0.6578	Remote Similarity	NPD7458	Discontinued
0.6573	Remote Similarity	NPD6651	Approved
0.6571	Remote Similarity	NPD3027	Phase 3
0.6571	Remote Similarity	NPD7095	Approved
0.6561	Remote Similarity	NPD5619	Clinical (unspecified phase)
0.6554	Remote Similarity	NPD4307	Phase 2
0.6552	Remote Similarity	NPD9494	Approved
0.655	Remote Similarity	NPD1608	Approved

Structure

NPC71260 OpenBabel07101718202D 32 36 0 0 0 0 0 0 0 0999 V2000 1.5823 2.3225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5714 1.1226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8171 1.8090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8061 1.6361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8171 -0.1910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8061 3.6361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1756 3.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1646 0.2091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9511 1.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9401 2.1361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6831 1.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6722 2.1361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6831 0.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6722 3.1361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9511 0.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9401 3.1361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 1.6180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9890 1.8271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4067 2.5316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5823 0.9135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4013 2.6361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5878 0.8090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7634 4.0451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7524 -0.6000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5491 1.8090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5382 1.6361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5491 -0.1910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5382 3.6361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1810 3.3406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1701 0.1045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9890 3.4451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 2 8 1 0 0 0 0 3 9 1 0 0 0 0 3 11 2 0 0 0 0 4 10 1 0 0 0 0 4 12 2 0 0 0 0 5 13 2 0 0 0 0 5 15 1 0 0 0 0 6 14 2 0 0 0 0 6 16 1 0 0 0 0 7 23 2 0 0 0 0 7 29 1 0 0 0 0 8 24 2 0 0 0 0 8 30 1 0 0 0 0 9 15 2 0 0 0 0 9 17 1 0 0 0 0 10 16 2 0 0 0 0 10 18 1 0 0 0 0 11 13 1 0 0 0 0 11 25 1 0 0 0 0 12 14 1 0 0 0 0 12 26 1 0 0 0 0 13 27 1 0 0 0 0 14 28 1 0 0 0 0 15 32 1 0 0 0 0 16 31 1 0 0 0 0 17 19 2 0 0 0 0 17 22 1 0 0 0 0 18 20 1 0 0 0 0 18 21 2 0 0 0 0 19 21 1 0 0 0 0 19 29 1 0 0 0 0 20 22 2 0 0 0 0 20 30 1 0 0 0 0 21 31 1 0 0 0 0 22 32 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	382514
ChEMBL	CHEMBL458248
ZINC

Physicochemical Properties

Molecular Weight:	438.06
ALogP:	-2.3118
MLogP:	2.78
XLogP:	1.468
# Rotatable Bonds:	10
Polar Surface Area:	159.8
# H-Bond Aceptor:	2
# H-Bond Donor:	4
# Rings:	5
# Heavy Atoms:	32

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