NPASS Natural Product

Natural Product: NPC48366

Natural Product ID:	NPC48366
Common Name:	Arteminorin C
IUPAC Name:	3-(6,7-dihydroxy-2-oxochromen-3-yl)-7-hydroxy-6,8-dimethoxychromen-2-one
Synonyms:	Arteminorin C
Molecular Formula:	C20H14O9
Standard InCHIKey:	XFGGVXYNIBUVBK-UHFFFAOYSA-N
Standard InCHI:	InChI=1S/C20H14O9/c1-26-15-6-9-4-11(20(25)29-17(9)18(27-2)16(15)23)10-3-8-5-12(21)13(22)7-14(8)28-19(10)24/h3-7,21-23H,1-2H3
Canonical SMILES:	COc1cc2cc(c(=O)oc2c(c1O)OC)c1cc2cc(O)c(cc2oc1=O)O
First Find Year:
Max Developmental Stage:
Synthetic Gene Cluster:	;

Species Source

Organism ID	Organism Name	Taxonomy Level	Family	SuperKingdom	Reference
NPO15167	Eichhornia crassipes	Species	Pontederiaceae	Eukaryota	UNPD*
NPO14865	Vitex limonifolia	Species	Lamiaceae	Eukaryota	UNPD*
NPO14049	Fumaria indica	Species	Papaveraceae	Eukaryota	UNPD*
NPO13383	Schumanniophyton magnificum	Species	Rubiaceae	Eukaryota	UNPD*
NPO9786	Monomeria barbata	Species	Orchidaceae	Eukaryota	UNPD*
NPO21758	Thiocystis gelatinosa	Species	Chromatiaceae	Bacteria	UNPD*
NPO11507	Entada africana	Species	Fabaceae	Eukaryota	UNPD*
NPO4360	Hendersonula toruloidea	NA	NA	NA	UNPD*
NPO12994	Choriaster granulatus	Species	Oreasteridae	Eukaryota	UNPD*
NPO14297	Dioscorea gracillima	Species	Dioscoreaceae	Eukaryota	UNPD*
NPO6370	Roemeria carica	Species	Papaveraceae	Eukaryota	UNPD*
NPO8401	Pteris setuloso-costulata	Species	Pteridaceae	Eukaryota	UNPD*
NPO7043	Fuligo candida	Species	Physaraceae	Eukaryota	UNPD*
NPO15449	Echium rubrum	Species	Boraginaceae	Eukaryota	UNPD*
NPO9358	Pseuduvaria indochinensis	Species	Annonaceae	Eukaryota	UNPD*
NPO1033	Plectranthus nummularius	Species	Lamiaceae	Eukaryota	UNPD*
NPO11684	Iberis sempervirens	Species	Brassicaceae	Eukaryota	UNPD*
NPO11153	Entada polystachya	Species	Fabaceae	Eukaryota	UNPD*

Biological Activity

Activity Type	# Activity
IC50	1

Activity Type	# Activity
Individual Protein	1

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT967	Individual Protein	Xanthine dehydrogenase	Homo sapiens	IC50	=	7710	nM	19476336

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 NPC48366 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	286
0.1-0.2	1266
0.2-0.3	3137
0.3-0.4	7251
0.4-0.5	5678
0.5-0.6	2597
0.6-0.7	3915
0.7-0.8	5566
0.8-0.85	1038
0.85-0.9	127
0.9-0.95	28
0.95-1	0

Similarity Score	Similarity Level	Natural Product ID
0.9375	High Similarity	NPC231149
0.931	High Similarity	NPC139839
0.9247	High Similarity	NPC30688
0.9247	High Similarity	NPC176903
0.9231	High Similarity	NPC34245
0.9231	High Similarity	NPC110067
0.9231	High Similarity	NPC91492
0.9231	High Similarity	NPC7439
0.9231	High Similarity	NPC256555
0.9184	High Similarity	NPC21184
0.9184	High Similarity	NPC294522
0.9184	High Similarity	NPC205727
0.9184	High Similarity	NPC120426
0.9167	High Similarity	NPC185127
0.9149	High Similarity	NPC76336
0.9149	High Similarity	NPC52086
0.9149	High Similarity	NPC148835
0.9149	High Similarity	NPC20511
0.9149	High Similarity	NPC139548
0.9149	High Similarity	NPC95162
0.9085	High Similarity	NPC13067
0.9078	High Similarity	NPC82271
0.9078	High Similarity	NPC126682
0.906	High Similarity	NPC264875
0.906	High Similarity	NPC163598
0.906	High Similarity	NPC120774
0.9048	High Similarity	NPC476348
0.9048	High Similarity	NPC187398
0.898	High Similarity	NPC15577
0.898	High Similarity	NPC476347
0.8966	High Similarity	NPC236419
0.8936	High Similarity	NPC92830
0.8881	High Similarity	NPC474886
0.8881	High Similarity	NPC38874
0.8865	High Similarity	NPC26673
0.8865	High Similarity	NPC277021
0.8836	High Similarity	NPC230157
0.8819	High Similarity	NPC43500
0.8819	High Similarity	NPC164148
0.8803	High Similarity	NPC111635
0.8794	High Similarity	NPC137949
0.879	High Similarity	NPC142614
0.8742	High Similarity	NPC213197
0.8741	High Similarity	NPC234865
0.8733	High Similarity	NPC107636
0.8733	High Similarity	NPC113790
0.8725	High Similarity	NPC178129
0.8723	High Similarity	NPC73738
0.8707	High Similarity	NPC6568
0.8699	High Similarity	NPC300611
0.8681	High Similarity	NPC309031
0.8681	High Similarity	NPC286843
0.8671	High Similarity	NPC474600
0.8662	High Similarity	NPC245120
0.8658	High Similarity	NPC268515
0.8658	High Similarity	NPC40222
0.8658	High Similarity	NPC287275
0.8652	High Similarity	NPC214860
0.8652	High Similarity	NPC244799
0.8652	High Similarity	NPC240722
0.8649	High Similarity	NPC134975
0.8639	High Similarity	NPC469564
0.8636	High Similarity	NPC208197
0.8627	High Similarity	NPC150442
0.8627	High Similarity	NPC289968
0.8625	High Similarity	NPC280493
0.8621	High Similarity	NPC276328
0.8609	High Similarity	NPC313334
0.8609	High Similarity	NPC206264
0.8609	High Similarity	NPC212670
0.8601	High Similarity	NPC241341
0.8601	High Similarity	NPC233018
0.8601	High Similarity	NPC36437
0.86	High Similarity	NPC275125
0.86	High Similarity	NPC170239
0.86	High Similarity	NPC97937
0.859	High Similarity	NPC37502
0.859	High Similarity	NPC87317
0.859	High Similarity	NPC40702
0.859	High Similarity	NPC267627
0.8582	High Similarity	NPC27239
0.8582	High Similarity	NPC45824
0.8582	High Similarity	NPC123127
0.8581	High Similarity	NPC284810
0.8581	High Similarity	NPC138212
0.8571	High Similarity	NPC276409
0.8571	High Similarity	NPC7178
0.8571	High Similarity	NPC8712
0.8571	High Similarity	NPC75279
0.8571	High Similarity	NPC62903
0.8571	High Similarity	NPC250822
0.8562	High Similarity	NPC176186
0.8562	High Similarity	NPC169404
0.8562	High Similarity	NPC53587
0.8553	High Similarity	NPC114740
0.8553	High Similarity	NPC106334
0.8553	High Similarity	NPC285527
0.8552	High Similarity	NPC167517
0.8543	High Similarity	NPC96294
0.8543	High Similarity	NPC478237
0.8542	High Similarity	NPC106215
0.8542	High Similarity	NPC309953
0.8535	High Similarity	NPC53889
0.8535	High Similarity	NPC130955
0.8533	High Similarity	NPC205361
0.8533	High Similarity	NPC262282
0.8531	High Similarity	NPC319969
0.8531	High Similarity	NPC137669
0.8526	High Similarity	NPC247713
0.8516	High Similarity	NPC2476
0.8516	High Similarity	NPC280339
0.8516	High Similarity	NPC155015
0.8516	High Similarity	NPC256612
0.8516	High Similarity	NPC142479
0.8516	High Similarity	NPC167815
0.8516	High Similarity	NPC138360
0.8516	High Similarity	NPC292385
0.8516	High Similarity	NPC20830
0.8516	High Similarity	NPC183597
0.8516	High Similarity	NPC4455
0.8516	High Similarity	NPC128863
0.8516	High Similarity	NPC146165
0.8516	High Similarity	NPC50715
0.8516	High Similarity	NPC201136
0.8516	High Similarity	NPC196439
0.8516	High Similarity	NPC92659
0.8516	High Similarity	NPC227325
0.8516	High Similarity	NPC163780
0.8516	High Similarity	NPC125709
0.8514	High Similarity	NPC472332
0.8514	High Similarity	NPC472335
0.8506	High Similarity	NPC275722
0.8506	High Similarity	NPC188203
0.8506	High Similarity	NPC293183
0.8506	High Similarity	NPC149735
0.8506	High Similarity	NPC256283
0.8506	High Similarity	NPC241498
0.8506	High Similarity	NPC162313
0.8506	High Similarity	NPC275836
0.8506	High Similarity	NPC239128
0.8506	High Similarity	NPC71334
0.8506	High Similarity	NPC222830
0.8506	High Similarity	NPC198826
0.8506	High Similarity	NPC57030
0.8506	High Similarity	NPC212678
0.8506	High Similarity	NPC142540
0.8506	High Similarity	NPC131624
0.8506	High Similarity	NPC187498
0.8506	High Similarity	NPC25270
0.8506	High Similarity	NPC156222
0.8506	High Similarity	NPC83508
0.8506	High Similarity	NPC100887
0.8506	High Similarity	NPC301323
0.8506	High Similarity	NPC120163
0.85	High Similarity	NPC471823
0.8497	Intermediate Similarity	NPC213382
0.8497	Intermediate Similarity	NPC164527
0.8487	Intermediate Similarity	NPC475250
0.8477	Intermediate Similarity	NPC41844
0.8472	Intermediate Similarity	NPC229442
0.8472	Intermediate Similarity	NPC474810
0.8472	Intermediate Similarity	NPC168059
0.8471	Intermediate Similarity	NPC287458
0.8467	Intermediate Similarity	NPC125617
0.8466	Intermediate Similarity	NPC163165
0.8462	Intermediate Similarity	NPC250436
0.8462	Intermediate Similarity	NPC54928
0.8462	Intermediate Similarity	NPC474520
0.8462	Intermediate Similarity	NPC318432
0.8462	Intermediate Similarity	NPC247017
0.8462	Intermediate Similarity	NPC291948
0.8462	Intermediate Similarity	NPC88803
0.8462	Intermediate Similarity	NPC300845
0.8462	Intermediate Similarity	NPC98661
0.8462	Intermediate Similarity	NPC104983
0.8462	Intermediate Similarity	NPC147317
0.8457	Intermediate Similarity	NPC109827
0.8457	Intermediate Similarity	NPC124470
0.8452	Intermediate Similarity	NPC183878
0.8452	Intermediate Similarity	NPC22519
0.8452	Intermediate Similarity	NPC176775
0.8452	Intermediate Similarity	NPC145379
0.8452	Intermediate Similarity	NPC69394
0.8452	Intermediate Similarity	NPC274327
0.8452	Intermediate Similarity	NPC231018
0.8452	Intermediate Similarity	NPC47781
0.8452	Intermediate Similarity	NPC255350
0.8452	Intermediate Similarity	NPC160951
0.8442	Intermediate Similarity	NPC476352
0.8442	Intermediate Similarity	NPC75695
0.8442	Intermediate Similarity	NPC215060
0.8442	Intermediate Similarity	NPC93498
0.8442	Intermediate Similarity	NPC163883
0.844	Intermediate Similarity	NPC216836
0.8438	Intermediate Similarity	NPC85057
0.8438	Intermediate Similarity	NPC130920
0.8421	Intermediate Similarity	NPC93924
0.8418	Intermediate Similarity	NPC98892
0.8418	Intermediate Similarity	NPC301089
0.8418	Intermediate Similarity	NPC24164

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC48366 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	307
0.1-0.2	857
0.2-0.3	1943
0.3-0.4	2746
0.4-0.5	1683
0.5-0.6	1046
0.6-0.7	444
0.7-0.8	123
0.8-0.85	11
0.85-0.9	1
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.8609	High Similarity	NPD1653	Approved
0.8462	Intermediate Similarity	NPD4868	Clinical (unspecified phase)
0.8452	Intermediate Similarity	NPD2801	Approved
0.8333	Intermediate Similarity	NPD1465	Phase 2
0.8182	Intermediate Similarity	NPD1530	Clinical (unspecified phase)
0.8125	Intermediate Similarity	NPD1529	Clinical (unspecified phase)
0.8084	Intermediate Similarity	NPD4338	Clinical (unspecified phase)
0.805	Intermediate Similarity	NPD3817	Phase 2
0.805	Intermediate Similarity	NPD5402	Approved
0.8038	Intermediate Similarity	NPD1934	Approved
0.8027	Intermediate Similarity	NPD1613	Approved
0.8027	Intermediate Similarity	NPD1612	Clinical (unspecified phase)
0.7987	Intermediate Similarity	NPD1511	Approved
0.7952	Intermediate Similarity	NPD5844	Phase 1
0.7892	Intermediate Similarity	NPD3818	Discontinued
0.7888	Intermediate Similarity	NPD3882	Suspended
0.7887	Intermediate Similarity	NPD422	Phase 1
0.7885	Intermediate Similarity	NPD1512	Approved
0.7857	Intermediate Similarity	NPD7993	Clinical (unspecified phase)
0.7852	Intermediate Similarity	NPD230	Phase 1
0.7847	Intermediate Similarity	NPD3225	Approved
0.7844	Intermediate Similarity	NPD7054	Approved
0.7823	Intermediate Similarity	NPD3027	Phase 3
0.7798	Intermediate Similarity	NPD7472	Approved
0.7792	Intermediate Similarity	NPD3750	Approved
0.7791	Intermediate Similarity	NPD6234	Discontinued
0.7778	Intermediate Similarity	NPD4379	Clinical (unspecified phase)
0.7771	Intermediate Similarity	NPD6167	Clinical (unspecified phase)
0.7771	Intermediate Similarity	NPD6168	Clinical (unspecified phase)
0.7771	Intermediate Similarity	NPD6166	Phase 2
0.7764	Intermediate Similarity	NPD2393	Clinical (unspecified phase)
0.7758	Intermediate Similarity	NPD6232	Discontinued
0.7742	Intermediate Similarity	NPD6190	Approved
0.7733	Intermediate Similarity	NPD447	Suspended
0.7692	Intermediate Similarity	NPD7074	Phase 3
0.7661	Intermediate Similarity	NPD7549	Discontinued
0.7647	Intermediate Similarity	NPD6797	Phase 2
0.7619	Intermediate Similarity	NPD7473	Discontinued
0.761	Intermediate Similarity	NPD5403	Approved
0.7602	Intermediate Similarity	NPD7251	Discontinued
0.7597	Intermediate Similarity	NPD7266	Discontinued
0.7595	Intermediate Similarity	NPD5401	Approved
0.7593	Intermediate Similarity	NPD37	Approved
0.7574	Intermediate Similarity	NPD7228	Approved
0.7561	Intermediate Similarity	NPD4965	Approved
0.7561	Intermediate Similarity	NPD4966	Approved
0.7561	Intermediate Similarity	NPD4967	Phase 2
0.7558	Intermediate Similarity	NPD7808	Phase 3
0.7547	Intermediate Similarity	NPD1940	Clinical (unspecified phase)
0.7533	Intermediate Similarity	NPD6859	Clinical (unspecified phase)
0.753	Intermediate Similarity	NPD5494	Approved
0.7515	Intermediate Similarity	NPD7075	Discontinued
0.7515	Intermediate Similarity	NPD4381	Clinical (unspecified phase)
0.75	Intermediate Similarity	NPD5124	Phase 1
0.75	Intermediate Similarity	NPD5123	Clinical (unspecified phase)
0.75	Intermediate Similarity	NPD1652	Phase 2
0.7485	Intermediate Similarity	NPD7199	Phase 2
0.7483	Intermediate Similarity	NPD1548	Phase 1
0.7469	Intermediate Similarity	NPD4380	Phase 2
0.7468	Intermediate Similarity	NPD3748	Approved
0.7452	Intermediate Similarity	NPD6398	Clinical (unspecified phase)
0.745	Intermediate Similarity	NPD3018	Phase 2
0.7436	Intermediate Similarity	NPD970	Clinical (unspecified phase)
0.7421	Intermediate Similarity	NPD4357	Discontinued
0.7421	Intermediate Similarity	NPD6799	Approved
0.7419	Intermediate Similarity	NPD2935	Discontinued
0.7419	Intermediate Similarity	NPD1551	Phase 2
0.74	Intermediate Similarity	NPD4908	Phase 1
0.7396	Intermediate Similarity	NPD7184	Clinical (unspecified phase)
0.7391	Intermediate Similarity	NPD6980	Clinical (unspecified phase)
0.7378	Intermediate Similarity	NPD6801	Discontinued
0.7375	Intermediate Similarity	NPD4378	Clinical (unspecified phase)
0.7333	Intermediate Similarity	NPD7096	Clinical (unspecified phase)
0.7333	Intermediate Similarity	NPD7819	Suspended
0.733	Intermediate Similarity	NPD8055	Clinical (unspecified phase)
0.7317	Intermediate Similarity	NPD7411	Suspended
0.7315	Intermediate Similarity	NPD2797	Approved
0.7312	Intermediate Similarity	NPD6143	Clinical (unspecified phase)
0.7303	Intermediate Similarity	NPD4907	Clinical (unspecified phase)
0.7303	Intermediate Similarity	NPD8397	Clinical (unspecified phase)
0.7299	Intermediate Similarity	NPD7685	Pre-registration
0.7297	Intermediate Similarity	NPD2983	Phase 2
0.7297	Intermediate Similarity	NPD2982	Phase 2
0.7292	Intermediate Similarity	NPD5536	Phase 2
0.7279	Intermediate Similarity	NPD1610	Phase 2
0.7273	Intermediate Similarity	NPD1933	Approved
0.7267	Intermediate Similarity	NPD3751	Discontinued
0.7267	Intermediate Similarity	NPD7410	Clinical (unspecified phase)
0.7262	Intermediate Similarity	NPD919	Approved
0.7255	Intermediate Similarity	NPD6233	Phase 2
0.7246	Intermediate Similarity	NPD7768	Phase 2
0.7244	Intermediate Similarity	NPD1510	Phase 2
0.7233	Intermediate Similarity	NPD1878	Clinical (unspecified phase)
0.723	Intermediate Similarity	NPD9269	Phase 2
0.723	Intermediate Similarity	NPD2981	Phase 2
0.7215	Intermediate Similarity	NPD1549	Phase 2
0.7211	Intermediate Similarity	NPD3496	Discontinued
0.7208	Intermediate Similarity	NPD4060	Phase 1
0.7202	Intermediate Similarity	NPD3749	Approved
0.72	Intermediate Similarity	NPD1203	Approved
0.72	Intermediate Similarity	NPD6559	Discontinued
0.7195	Intermediate Similarity	NPD3226	Approved
0.719	Intermediate Similarity	NPD3268	Approved
0.7176	Intermediate Similarity	NPD1247	Approved
0.7176	Intermediate Similarity	NPD8127	Discontinued
0.7171	Intermediate Similarity	NPD1008	Clinical (unspecified phase)
0.7152	Intermediate Similarity	NPD1550	Clinical (unspecified phase)
0.7152	Intermediate Similarity	NPD1552	Clinical (unspecified phase)
0.7152	Intermediate Similarity	NPD6599	Discontinued
0.7134	Intermediate Similarity	NPD4308	Phase 3
0.7126	Intermediate Similarity	NPD7804	Clinical (unspecified phase)
0.7125	Intermediate Similarity	NPD4628	Phase 3
0.7124	Intermediate Similarity	NPD7095	Approved
0.7113	Intermediate Similarity	NPD228	Approved
0.7105	Intermediate Similarity	NPD9494	Approved
0.7105	Intermediate Similarity	NPD2861	Phase 2
0.7102	Intermediate Similarity	NPD7240	Approved
0.7097	Intermediate Similarity	NPD943	Approved
0.7097	Intermediate Similarity	NPD1240	Approved
0.7093	Intermediate Similarity	NPD3926	Phase 2
0.7089	Intermediate Similarity	NPD2796	Approved
0.7078	Intermediate Similarity	NPD6798	Discontinued
0.7078	Intermediate Similarity	NPD1296	Phase 2
0.707	Intermediate Similarity	NPD7097	Phase 1
0.7067	Intermediate Similarity	NPD4749	Approved
0.7063	Intermediate Similarity	NPD7421	Clinical (unspecified phase)
0.7052	Intermediate Similarity	NPD7852	Clinical (unspecified phase)
0.7051	Intermediate Similarity	NPD4340	Discontinued
0.7051	Intermediate Similarity	NPD1899	Clinical (unspecified phase)
0.7047	Intermediate Similarity	NPD1535	Discovery
0.7013	Intermediate Similarity	NPD4625	Phase 3
0.7006	Intermediate Similarity	NPD1607	Approved
0.7006	Intermediate Similarity	NPD7615	Clinical (unspecified phase)
0.7	Intermediate Similarity	NPD9717	Approved
0.7	Intermediate Similarity	NPD1481	Phase 2
0.6987	Remote Similarity	NPD1558	Phase 1
0.6982	Remote Similarity	NPD8443	Clinical (unspecified phase)
0.6982	Remote Similarity	NPD4288	Approved
0.6982	Remote Similarity	NPD5353	Approved
0.6981	Remote Similarity	NPD6032	Approved
0.6981	Remote Similarity	NPD6100	Approved
0.6981	Remote Similarity	NPD6099	Approved
0.6977	Remote Similarity	NPD6959	Discontinued
0.6974	Remote Similarity	NPD3266	Approved
0.6974	Remote Similarity	NPD3267	Approved
0.697	Remote Similarity	NPD920	Approved
0.6968	Remote Similarity	NPD2313	Discontinued
0.6959	Remote Similarity	NPD9268	Approved
0.6957	Remote Similarity	NPD1243	Approved
0.6951	Remote Similarity	NPD2533	Approved
0.6951	Remote Similarity	NPD2532	Approved
0.6951	Remote Similarity	NPD2534	Approved
0.6948	Remote Similarity	NPD6832	Phase 2
0.6943	Remote Similarity	NPD6355	Discontinued
0.694	Remote Similarity	NPD7879	Clinical (unspecified phase)
0.6937	Remote Similarity	NPD3540	Phase 1
0.6936	Remote Similarity	NPD3787	Discontinued
0.6919	Remote Similarity	NPD5677	Discontinued
0.6918	Remote Similarity	NPD7033	Discontinued
0.6913	Remote Similarity	NPD1778	Approved
0.6901	Remote Similarity	NPD6971	Discontinued
0.6897	Remote Similarity	NPD5242	Approved
0.6889	Remote Similarity	NPD7090	Clinical (unspecified phase)
0.6887	Remote Similarity	NPD1608	Approved
0.6879	Remote Similarity	NPD4307	Phase 2
0.6875	Remote Similarity	NPD3539	Phase 1
0.6859	Remote Similarity	NPD6410	Clinical (unspecified phase)
0.6859	Remote Similarity	NPD411	Approved
0.6854	Remote Similarity	NPD5953	Discontinued
0.6852	Remote Similarity	NPD6674	Discontinued
0.6848	Remote Similarity	NPD642	Clinical (unspecified phase)
0.6848	Remote Similarity	NPD7004	Clinical (unspecified phase)
0.6845	Remote Similarity	NPD4678	Approved
0.6845	Remote Similarity	NPD4675	Approved
0.6839	Remote Similarity	NPD7229	Phase 3
0.6832	Remote Similarity	NPD2346	Discontinued
0.6828	Remote Similarity	NPD5535	Approved
0.6826	Remote Similarity	NPD3687	Approved
0.6826	Remote Similarity	NPD3686	Approved
0.6824	Remote Similarity	NPD8455	Phase 2
0.6821	Remote Similarity	NPD1091	Approved
0.6821	Remote Similarity	NPD1611	Approved
0.6816	Remote Similarity	NPD7038	Approved
0.6816	Remote Similarity	NPD7039	Approved
0.6813	Remote Similarity	NPD2799	Discontinued
0.681	Remote Similarity	NPD4110	Phase 3
0.681	Remote Similarity	NPD8166	Discontinued
0.681	Remote Similarity	NPD4109	Clinical (unspecified phase)
0.6809	Remote Similarity	NPD9697	Approved
0.6809	Remote Similarity	NPD7237	Clinical (unspecified phase)
0.6807	Remote Similarity	NPD7314	Clinical (unspecified phase)
0.6805	Remote Similarity	NPD6386	Approved
0.6805	Remote Similarity	NPD6385	Approved
0.6803	Remote Similarity	NPD6671	Approved
0.6791	Remote Similarity	NPD6621	Clinical (unspecified phase)
0.679	Remote Similarity	NPD2424	Discontinued
0.6781	Remote Similarity	NPD5283	Phase 1
0.6768	Remote Similarity	NPD2219	Phase 1
0.6761	Remote Similarity	NPD968	Approved
0.6752	Remote Similarity	NPD3764	Approved

Structure

CID48366 OpenBabel06191715382D 29 32 0 0 0 0 0 0 0 0999 V2000 3.4641 -3.0000 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 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5981 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3301 -3.5000 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 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4641 -5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3301 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4641 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 -0.5000 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 1.7321 -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 -0.8660 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4641 -6.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1962 -5.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5981 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4641 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 26 1 0 0 0 0 2 27 1 0 0 0 0 3 8 1 0 0 0 0 3 10 2 0 0 0 0 4 9 1 0 0 0 0 4 11 2 0 0 0 0 5 8 1 0 0 0 0 5 12 2 0 0 0 0 6 9 1 0 0 0 0 6 15 2 0 0 0 0 7 13 2 0 0 0 0 7 14 1 0 0 0 0 8 14 2 0 0 0 0 9 17 2 0 0 0 0 10 11 1 0 0 0 0 10 19 1 0 0 0 0 11 20 1 0 0 0 0 12 13 1 0 0 0 0 12 21 1 0 0 0 0 13 22 1 0 0 0 0 14 28 1 0 0 0 0 15 16 1 0 0 0 0 15 26 1 0 0 0 0 16 18 2 0 0 0 0 16 23 1 0 0 0 0 17 18 1 0 0 0 0 17 29 1 0 0 0 0 18 27 1 0 0 0 0 19 24 2 0 0 0 0 19 28 1 0 0 0 0 20 25 2 0 0 0 0 20 29 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	44178672
ChEMBL	CHEMBL1085430
ZINC

Physicochemical Properties

Molecular Weight:	398.06
ALogP:	-1.1223
MLogP:	2.67
XLogP:	1.396
# Rotatable Bonds:	8
Polar Surface Area:	131.75
# H-Bond Aceptor:	2
# H-Bond Donor:	3
# Rings:	4
# Heavy Atoms:	29

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