NPASS Natural Product

Natural Product: NPC475212

Natural Product ID:	NPC475212
Common Name:	Hydnowightin
IUPAC Name:	5,7-dihydroxy-2-[(2R,3R)-3-[4-hydroxy-3-[(Z)-3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)prop-1-en-2-yl]-5-methoxyphenyl]-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]chromen-4-one
Synonyms:	Hydnowightin
Molecular Formula:	C35H30O12
Standard InCHIKey:	KMYJDVOGPCWOTR-UDJTZZNJSA-N
Standard InCHI:	InChI=1S/C35H30O12/c1-43-28-8-17(3-5-23(28)39)7-20(15-36)22-9-19(11-31(44-2)34(22)42)35-32(16-37)45-26-6-4-18(10-29(26)47-35)27-14-25(41)33-24(40)12-21(38)13-30(33)46-27/h3-14,32,35-40,42H,15-16H2,1-2H3/b20-7+/t32-,35-/m1/s1
Canonical SMILES:	OC[C@H]1Oc2ccc(cc2O[C@@H]1c1cc(OC)c(c(c1)/C(=C/c1ccc(c(c1)OC)O)/CO)O)c1cc(=O)c2c(o1)cc(cc2O)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
NPO14784	Hydnocarpus wightiana	Species	Achariaceae	Eukaryota	Seeds			PMID[1800632]

Biological Activity

Activity Type	# Activity
ED50	8
Others	5

Activity Type	# Activity
Cell Line	4
Organism	4
Others	5

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT32	Organism	Mus musculus	Mus musculus	Activity	=	80	%	23691978
NPT32	Organism	Mus musculus	Mus musculus	Activity	=	59	%	23691978
NPT2	Others	Unspecified		ED50	=	7.49	ug/ml	18729518
NPT137	Cell Line	L1210	Mus musculus	ED50	=	3.07	ug/ml	9392880
NPT32	Organism	Mus musculus	Mus musculus	Inhibition	=	24	%	11141106
NPT2	Others	Unspecified		ED50	=	3.01	ug/ml	23675610
NPT1490	Cell Line	Ehrlich	Mus musculus	Inhibition	=	12.1	%	20439609
NPT2	Others	Unspecified		ED50	=	4.33	ug/ml	18271551
NPT660	Cell Line	SW480	Homo sapiens	ED50	=	2.38	ug/ml	DrugMatrix in vitro pharmacology data
NPT2	Others	Unspecified		ED50	=	5.02	ug/ml	1800633
NPT2	Others	Unspecified		ED50	=	2.5	ug/ml	2681536
NPT91	Cell Line	KB	Homo sapiens	ED50	=	1.96	ug/ml	Open TG-GATES in vivo data: Hematology

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 NPC475212 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	337
0.1-0.2	1231
0.2-0.3	2518
0.3-0.4	6128
0.4-0.5	6797
0.5-0.6	2820
0.6-0.7	3452
0.7-0.8	4108
0.8-0.85	1692
0.85-0.9	1506
0.9-0.95	284
0.95-1	16

Similarity Score	Similarity Level	Natural Product ID
0.9686	High Similarity	NPC477840
0.9684	High Similarity	NPC219927
0.962	High Similarity	NPC113163
0.962	High Similarity	NPC84324
0.962	High Similarity	NPC288131
0.962	High Similarity	NPC142252
0.962	High Similarity	NPC165970
0.962	High Similarity	NPC66618
0.962	High Similarity	NPC26326
0.962	High Similarity	NPC305987
0.9576	High Similarity	NPC324742
0.956	High Similarity	NPC476247
0.956	High Similarity	NPC477841
0.9557	High Similarity	NPC101731
0.9503	High Similarity	NPC171985
0.9503	High Similarity	NPC320741
0.9497	High Similarity	NPC474038
0.9497	High Similarity	NPC158188
0.9494	High Similarity	NPC53545
0.9494	High Similarity	NPC117418
0.9494	High Similarity	NPC284127
0.9494	High Similarity	NPC476410
0.9494	High Similarity	NPC172202
0.9448	High Similarity	NPC476365
0.9444	High Similarity	NPC243877
0.9444	High Similarity	NPC260266
0.9441	High Similarity	NPC72787
0.9441	High Similarity	NPC36916
0.9441	High Similarity	NPC125039
0.9441	High Similarity	NPC7688
0.9441	High Similarity	NPC7154
0.9441	High Similarity	NPC58223
0.9441	High Similarity	NPC36
0.9434	High Similarity	NPC118256
0.9434	High Similarity	NPC475784
0.9434	High Similarity	NPC192686
0.9434	High Similarity	NPC119209
0.943	High Similarity	NPC63454
0.943	High Similarity	NPC474055
0.943	High Similarity	NPC183851
0.943	High Similarity	NPC472598
0.939	High Similarity	NPC472454
0.939	High Similarity	NPC186847
0.939	High Similarity	NPC257667
0.9387	High Similarity	NPC107627
0.9383	High Similarity	NPC224851
0.9379	High Similarity	NPC472625
0.9375	High Similarity	NPC472632
0.9375	High Similarity	NPC472634
0.9375	High Similarity	NPC471499
0.9375	High Similarity	NPC289771
0.9367	High Similarity	NPC195796
0.9367	High Similarity	NPC35038
0.9367	High Similarity	NPC291878
0.9367	High Similarity	NPC278778
0.9341	High Similarity	NPC185275
0.9329	High Similarity	NPC279209
0.9329	High Similarity	NPC102277
0.9325	High Similarity	NPC14662
0.9325	High Similarity	NPC295082
0.9317	High Similarity	NPC472635
0.9317	High Similarity	NPC474034
0.9317	High Similarity	NPC474033
0.9313	High Similarity	NPC472631
0.9313	High Similarity	NPC470326
0.9313	High Similarity	NPC287328
0.9313	High Similarity	NPC472630
0.9313	High Similarity	NPC174953
0.9313	High Similarity	NPC282009
0.9308	High Similarity	NPC27337
0.9308	High Similarity	NPC284820
0.9308	High Similarity	NPC183
0.9308	High Similarity	NPC291508
0.9308	High Similarity	NPC473272
0.9308	High Similarity	NPC112954
0.9304	High Similarity	NPC321779
0.9304	High Similarity	NPC477503
0.9304	High Similarity	NPC470327
0.9304	High Similarity	NPC45849
0.9304	High Similarity	NPC200761
0.9281	High Similarity	NPC265380
0.9277	High Similarity	NPC99591
0.9273	High Similarity	NPC4200
0.9273	High Similarity	NPC256760
0.9268	High Similarity	NPC188079
0.9264	High Similarity	NPC471213
0.9259	High Similarity	NPC272064
0.9259	High Similarity	NPC186686
0.9255	High Similarity	NPC471210
0.9255	High Similarity	NPC471212
0.9255	High Similarity	NPC471211
0.925	High Similarity	NPC123544
0.925	High Similarity	NPC22192
0.925	High Similarity	NPC473990
0.9245	High Similarity	NPC472626
0.9245	High Similarity	NPC209614
0.9245	High Similarity	NPC78492
0.9245	High Similarity	NPC470328
0.9245	High Similarity	NPC208152
0.9241	High Similarity	NPC18727
0.9241	High Similarity	NPC213896
0.9241	High Similarity	NPC192083
0.9231	High Similarity	NPC132111
0.9226	High Similarity	NPC471030
0.9217	High Similarity	NPC208668
0.9212	High Similarity	NPC150767
0.9212	High Similarity	NPC78734
0.9202	High Similarity	NPC471788
0.9198	High Similarity	NPC474150
0.9198	High Similarity	NPC201800
0.9198	High Similarity	NPC474162
0.9193	High Similarity	NPC472624
0.9193	High Similarity	NPC36217
0.9187	High Similarity	NPC471209
0.9187	High Similarity	NPC223787
0.9187	High Similarity	NPC52889
0.9182	High Similarity	NPC226025
0.9181	High Similarity	NPC64755
0.9177	High Similarity	NPC219582
0.9177	High Similarity	NPC56232
0.9177	High Similarity	NPC10807
0.9177	High Similarity	NPC106976
0.9177	High Similarity	NPC236637
0.9177	High Similarity	NPC150123
0.9177	High Similarity	NPC302950
0.9177	High Similarity	NPC471982
0.9177	High Similarity	NPC244583
0.9177	High Similarity	NPC161881
0.9172	High Similarity	NPC117668
0.9157	High Similarity	NPC271848
0.9157	High Similarity	NPC81332
0.9157	High Similarity	NPC262580
0.9157	High Similarity	NPC289396
0.9157	High Similarity	NPC212038
0.9152	High Similarity	NPC300307
0.9146	High Similarity	NPC43319
0.9146	High Similarity	NPC13481
0.9146	High Similarity	NPC272560
0.9146	High Similarity	NPC207575
0.9141	High Similarity	NPC124038
0.9141	High Similarity	NPC476295
0.9136	High Similarity	NPC312273
0.9136	High Similarity	NPC134783
0.9136	High Similarity	NPC301256
0.9136	High Similarity	NPC196179
0.9136	High Similarity	NPC34089
0.9136	High Similarity	NPC266314
0.9136	High Similarity	NPC198829
0.913	High Similarity	NPC95936
0.913	High Similarity	NPC74178
0.913	High Similarity	NPC204879
0.913	High Similarity	NPC187792
0.913	High Similarity	NPC250214
0.913	High Similarity	NPC184755
0.9128	High Similarity	NPC473618
0.9125	High Similarity	NPC320825
0.9125	High Similarity	NPC326037
0.9125	High Similarity	NPC250922
0.9125	High Similarity	NPC471985
0.9125	High Similarity	NPC13858
0.9119	High Similarity	NPC112701
0.9119	High Similarity	NPC109594
0.9119	High Similarity	NPC326592
0.9119	High Similarity	NPC74924
0.9119	High Similarity	NPC298692
0.9118	High Similarity	NPC150977
0.9118	High Similarity	NPC321916
0.9114	High Similarity	NPC328740
0.9114	High Similarity	NPC289774
0.9114	High Similarity	NPC477897
0.9114	High Similarity	NPC209846
0.9107	High Similarity	NPC216307
0.9107	High Similarity	NPC255799
0.9102	High Similarity	NPC476374
0.9102	High Similarity	NPC472993
0.9102	High Similarity	NPC25724
0.9096	High Similarity	NPC231194
0.9096	High Similarity	NPC218488
0.9096	High Similarity	NPC51326
0.9091	High Similarity	NPC477502
0.9091	High Similarity	NPC229729
0.9091	High Similarity	NPC218226
0.9091	High Similarity	NPC474024
0.9085	High Similarity	NPC470457
0.9085	High Similarity	NPC311830
0.9085	High Similarity	NPC259757
0.9085	High Similarity	NPC293319
0.9085	High Similarity	NPC475888
0.9085	High Similarity	NPC62261
0.9085	High Similarity	NPC22832
0.9085	High Similarity	NPC50960
0.908	High Similarity	NPC476371
0.908	High Similarity	NPC476372
0.908	High Similarity	NPC83922
0.908	High Similarity	NPC194427
0.908	High Similarity	NPC220912
0.908	High Similarity	NPC473012
0.908	High Similarity	NPC472448
0.9074	High Similarity	NPC204290
0.9074	High Similarity	NPC188967

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC475212 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	343
0.1-0.2	867
0.2-0.3	1680
0.3-0.4	2670
0.4-0.5	1885
0.5-0.6	1061
0.6-0.7	460
0.7-0.8	147
0.8-0.85	19
0.85-0.9	23
0.9-0.95	6
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.9441	High Similarity	NPD6168	Clinical (unspecified phase)
0.9441	High Similarity	NPD6167	Clinical (unspecified phase)
0.9441	High Similarity	NPD6166	Phase 2
0.9241	High Similarity	NPD2393	Clinical (unspecified phase)
0.9177	High Similarity	NPD1934	Approved
0.9036	High Similarity	NPD7054	Approved
0.8982	High Similarity	NPD7074	Phase 3
0.8982	High Similarity	NPD7472	Approved
0.8931	High Similarity	NPD4380	Phase 2
0.8882	High Similarity	NPD2801	Approved
0.8824	High Similarity	NPD7808	Phase 3
0.8817	High Similarity	NPD6797	Phase 2
0.8817	High Similarity	NPD7993	Clinical (unspecified phase)
0.8788	High Similarity	NPD6959	Discontinued
0.8773	High Similarity	NPD4868	Clinical (unspecified phase)
0.8765	High Similarity	NPD7251	Discontinued
0.875	High Similarity	NPD3818	Discontinued
0.8712	High Similarity	NPD8443	Clinical (unspecified phase)
0.8698	High Similarity	NPD7804	Clinical (unspecified phase)
0.8671	High Similarity	NPD1511	Approved
0.8606	High Similarity	NPD4381	Clinical (unspecified phase)
0.8605	High Similarity	NPD4338	Clinical (unspecified phase)
0.8598	High Similarity	NPD3817	Phase 2
0.8562	High Similarity	NPD1512	Approved
0.8545	High Similarity	NPD3882	Suspended
0.8521	High Similarity	NPD7852	Clinical (unspecified phase)
0.8503	High Similarity	NPD5494	Approved
0.85	High Similarity	NPD4378	Clinical (unspecified phase)
0.85	High Similarity	NPD7410	Clinical (unspecified phase)
0.8494	Intermediate Similarity	NPD7075	Discontinued
0.848	Intermediate Similarity	NPD5844	Phase 1
0.8415	Intermediate Similarity	NPD7411	Suspended
0.8402	Intermediate Similarity	NPD6232	Discontinued
0.8364	Intermediate Similarity	NPD6801	Discontinued
0.8363	Intermediate Similarity	NPD7473	Discontinued
0.8313	Intermediate Similarity	NPD7096	Clinical (unspecified phase)
0.8313	Intermediate Similarity	NPD7819	Suspended
0.8291	Intermediate Similarity	NPD1550	Clinical (unspecified phase)
0.8291	Intermediate Similarity	NPD1552	Clinical (unspecified phase)
0.8239	Intermediate Similarity	NPD1549	Phase 2
0.8229	Intermediate Similarity	NPD6559	Discontinued
0.8214	Intermediate Similarity	NPD7768	Phase 2
0.8212	Intermediate Similarity	NPD8397	Clinical (unspecified phase)
0.8113	Intermediate Similarity	NPD2796	Approved
0.805	Intermediate Similarity	NPD1510	Phase 2
0.8047	Intermediate Similarity	NPD5402	Approved
0.8034	Intermediate Similarity	NPD8312	Approved
0.8034	Intermediate Similarity	NPD8313	Approved
0.7988	Intermediate Similarity	NPD1465	Phase 2
0.7952	Intermediate Similarity	NPD5403	Approved
0.7923	Intermediate Similarity	NPD7879	Clinical (unspecified phase)
0.7911	Intermediate Similarity	NPD1613	Approved
0.7911	Intermediate Similarity	NPD1612	Clinical (unspecified phase)
0.7879	Intermediate Similarity	NPD7390	Discontinued
0.7879	Intermediate Similarity	NPD6799	Approved
0.7831	Intermediate Similarity	NPD5401	Approved
0.7816	Intermediate Similarity	NPD1247	Approved
0.7803	Intermediate Similarity	NPD919	Approved
0.7799	Intermediate Similarity	NPD1240	Approved
0.7778	Intermediate Similarity	NPD8455	Phase 2
0.7754	Intermediate Similarity	NPD8090	Clinical (unspecified phase)
0.7746	Intermediate Similarity	NPD3749	Approved
0.7744	Intermediate Similarity	NPD7421	Clinical (unspecified phase)
0.7738	Intermediate Similarity	NPD6980	Clinical (unspecified phase)
0.7727	Intermediate Similarity	NPD3926	Phase 2
0.7722	Intermediate Similarity	NPD3027	Phase 3
0.7714	Intermediate Similarity	NPD7199	Phase 2
0.7706	Intermediate Similarity	NPD6599	Discontinued
0.7702	Intermediate Similarity	NPD1607	Approved
0.7697	Intermediate Similarity	NPD7228	Approved
0.7688	Intermediate Similarity	NPD943	Approved
0.768	Intermediate Similarity	NPD8151	Discontinued
0.767	Intermediate Similarity	NPD3787	Discontinued
0.7658	Intermediate Similarity	NPD1529	Clinical (unspecified phase)
0.765	Intermediate Similarity	NPD8055	Clinical (unspecified phase)
0.7619	Intermediate Similarity	NPD7422	Clinical (unspecified phase)
0.76	Intermediate Similarity	NPD6234	Discontinued
0.7598	Intermediate Similarity	NPD3751	Discontinued
0.7595	Intermediate Similarity	NPD1530	Clinical (unspecified phase)
0.759	Intermediate Similarity	NPD3750	Approved
0.7588	Intermediate Similarity	NPD1653	Approved
0.7576	Intermediate Similarity	NPD970	Clinical (unspecified phase)
0.7562	Intermediate Similarity	NPD4907	Clinical (unspecified phase)
0.7561	Intermediate Similarity	NPD2935	Discontinued
0.7539	Intermediate Similarity	NPD6780	Approved
0.7539	Intermediate Similarity	NPD6776	Approved
0.7539	Intermediate Similarity	NPD6781	Approved
0.7539	Intermediate Similarity	NPD6777	Approved
0.7539	Intermediate Similarity	NPD6782	Approved
0.7539	Intermediate Similarity	NPD7501	Clinical (unspecified phase)
0.7539	Intermediate Similarity	NPD6779	Approved
0.7539	Intermediate Similarity	NPD6778	Approved
0.753	Intermediate Similarity	NPD2800	Approved
0.7528	Intermediate Similarity	NPD7184	Clinical (unspecified phase)
0.7527	Intermediate Similarity	NPD7685	Pre-registration
0.7515	Intermediate Similarity	NPD2532	Approved
0.7515	Intermediate Similarity	NPD2534	Approved
0.7515	Intermediate Similarity	NPD2533	Approved
0.7514	Intermediate Similarity	NPD8150	Discontinued
0.7514	Intermediate Similarity	NPD37	Approved
0.7486	Intermediate Similarity	NPD4419	Clinical (unspecified phase)
0.7486	Intermediate Similarity	NPD4965	Approved
0.7486	Intermediate Similarity	NPD4966	Approved
0.7486	Intermediate Similarity	NPD4967	Phase 2
0.7485	Intermediate Similarity	NPD4628	Phase 3
0.7474	Intermediate Similarity	NPD7871	Phase 2
0.7474	Intermediate Similarity	NPD7870	Phase 2
0.746	Intermediate Similarity	NPD4360	Phase 2
0.746	Intermediate Similarity	NPD4363	Phase 3
0.7456	Intermediate Similarity	NPD6143	Clinical (unspecified phase)
0.7442	Intermediate Similarity	NPD3226	Approved
0.744	Intermediate Similarity	NPD6190	Approved
0.7438	Intermediate Similarity	NPD4908	Phase 1
0.7427	Intermediate Similarity	NPD920	Approved
0.7424	Intermediate Similarity	NPD7783	Phase 2
0.7424	Intermediate Similarity	NPD7782	Clinical (unspecified phase)
0.7423	Intermediate Similarity	NPD7698	Approved
0.7423	Intermediate Similarity	NPD7435	Discontinued
0.7423	Intermediate Similarity	NPD7696	Phase 3
0.7423	Intermediate Similarity	NPD230	Phase 1
0.7423	Intermediate Similarity	NPD7697	Approved
0.7412	Intermediate Similarity	NPD7004	Clinical (unspecified phase)
0.7398	Intermediate Similarity	NPD7584	Approved
0.7378	Intermediate Similarity	NPD6651	Approved
0.7377	Intermediate Similarity	NPD5953	Discontinued
0.736	Intermediate Similarity	NPD7701	Phase 2
0.7349	Intermediate Similarity	NPD1551	Phase 2
0.7346	Intermediate Similarity	NPD6859	Clinical (unspecified phase)
0.7341	Intermediate Similarity	NPD5808	Clinical (unspecified phase)
0.7321	Intermediate Similarity	NPD1243	Approved
0.7318	Intermediate Similarity	NPD8127	Discontinued
0.7317	Intermediate Similarity	NPD447	Suspended
0.731	Intermediate Similarity	NPD642	Clinical (unspecified phase)
0.7294	Intermediate Similarity	NPD643	Clinical (unspecified phase)
0.7289	Intermediate Similarity	NPD3748	Approved
0.7289	Intermediate Similarity	NPD1509	Clinical (unspecified phase)
0.7286	Intermediate Similarity	NPD7874	Approved
0.7286	Intermediate Similarity	NPD7875	Clinical (unspecified phase)
0.7282	Intermediate Similarity	NPD6823	Phase 2
0.7278	Intermediate Similarity	NPD1878	Clinical (unspecified phase)
0.7277	Intermediate Similarity	NPD6535	Approved
0.7277	Intermediate Similarity	NPD6534	Approved
0.7268	Intermediate Similarity	NPD7286	Phase 2
0.7254	Intermediate Similarity	NPD7699	Phase 2
0.7254	Intermediate Similarity	NPD7700	Phase 2
0.725	Intermediate Similarity	NPD7801	Approved
0.7246	Intermediate Similarity	NPD6099	Approved
0.7246	Intermediate Similarity	NPD6100	Approved
0.7243	Intermediate Similarity	NPD7240	Approved
0.7241	Intermediate Similarity	NPD7458	Discontinued
0.7239	Intermediate Similarity	NPD2313	Discontinued
0.7234	Intermediate Similarity	NPD8434	Phase 2
0.7212	Intermediate Similarity	NPD5124	Phase 1
0.7212	Intermediate Similarity	NPD5123	Clinical (unspecified phase)
0.7212	Intermediate Similarity	NPD1933	Approved
0.7202	Intermediate Similarity	NPD2344	Approved
0.7202	Intermediate Similarity	NPD2346	Discontinued
0.7186	Intermediate Similarity	NPD7033	Discontinued
0.7186	Intermediate Similarity	NPD651	Clinical (unspecified phase)
0.7186	Intermediate Similarity	NPD2799	Discontinued
0.716	Intermediate Similarity	NPD9494	Approved
0.7143	Intermediate Similarity	NPD5406	Approved
0.7143	Intermediate Similarity	NPD5408	Approved
0.7143	Intermediate Similarity	NPD5405	Approved
0.7143	Intermediate Similarity	NPD5404	Approved
0.7134	Intermediate Similarity	NPD6798	Discontinued
0.7125	Intermediate Similarity	NPD4379	Clinical (unspecified phase)
0.7121	Intermediate Similarity	NPD8319	Approved
0.7121	Intermediate Similarity	NPD8320	Phase 1
0.7119	Intermediate Similarity	NPD6844	Discontinued
0.7112	Intermediate Similarity	NPD7549	Discontinued
0.7107	Intermediate Similarity	NPD1547	Clinical (unspecified phase)
0.7101	Intermediate Similarity	NPD7266	Discontinued
0.7088	Intermediate Similarity	NPD5710	Approved
0.7088	Intermediate Similarity	NPD5711	Approved
0.7088	Intermediate Similarity	NPD7229	Phase 3
0.7076	Intermediate Similarity	NPD6398	Clinical (unspecified phase)
0.7076	Intermediate Similarity	NPD8166	Discontinued
0.7071	Intermediate Similarity	NPD7680	Approved
0.7062	Intermediate Similarity	NPD7615	Clinical (unspecified phase)
0.7062	Intermediate Similarity	NPD4362	Clinical (unspecified phase)
0.7062	Intermediate Similarity	NPD4361	Phase 2
0.7059	Intermediate Similarity	NPD2424	Discontinued
0.7047	Intermediate Similarity	NPD6214	Clinical (unspecified phase)
0.7047	Intermediate Similarity	NPD6212	Phase 3
0.7047	Intermediate Similarity	NPD6213	Phase 3
0.7035	Intermediate Similarity	NPD2309	Approved
0.7027	Intermediate Similarity	NPD7177	Discontinued
0.7019	Intermediate Similarity	NPD8155	Clinical (unspecified phase)
0.7018	Intermediate Similarity	NPD6674	Discontinued
0.7018	Intermediate Similarity	NPD1652	Phase 2
0.7015	Intermediate Similarity	NPD7585	Approved
0.7012	Intermediate Similarity	NPD6832	Phase 2
0.7011	Intermediate Similarity	NPD7784	Clinical (unspecified phase)
0.7	Intermediate Similarity	NPD1610	Phase 2
0.6988	Remote Similarity	NPD6233	Phase 2
0.6977	Remote Similarity	NPD7003	Approved
0.6971	Remote Similarity	NPD6273	Approved
0.697	Remote Similarity	NPD4625	Phase 3
0.6968	Remote Similarity	NPD7038	Approved

Structure

NPC475212 OpenBabel07101718232D 47 52 0 0 1 0 0 0 0 0999 V2000 -5.1962 5.0000 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 -6.0622 1.5000 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 -6.9282 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 0 0 0 0 0 0 0 0 0 0 -4.3301 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1962 3.0000 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 1.7321 0.0000 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 6.0622 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1962 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1962 2.0000 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 -1.7321 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3301 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1962 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4641 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9282 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0622 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1962 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0622 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 4.3301 -1.5000 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 1.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1962 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4641 -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 -5.1962 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5981 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1962 -4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.7942 3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9282 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0622 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3301 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0622 4.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5981 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 -1.0000 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 43 1 0 0 0 0 2 44 1 0 0 0 0 3 5 2 0 0 0 0 3 17 1 0 0 0 0 4 6 2 0 0 0 0 4 18 1 0 0 0 0 5 23 1 0 0 0 0 6 26 1 0 0 0 0 7 17 1 0 0 0 0 7 20 2 0 0 0 0 8 17 2 0 0 0 0 8 28 1 0 0 0 0 9 19 2 0 0 0 0 9 22 1 0 0 0 0 10 18 2 0 0 0 0 10 29 1 0 0 0 0 11 19 1 0 0 0 0 11 31 2 0 0 0 0 12 21 2 0 0 0 0 12 24 1 0 0 0 0 13 21 1 0 0 0 0 13 30 2 0 0 0 0 14 25 1 0 0 0 0 14 27 2 0 0 0 0 15 20 1 0 0 0 0 15 36 1 0 0 0 0 16 37 1 0 0 0 0 18 27 1 0 0 0 0 20 22 1 0 0 0 0 21 38 1 0 0 0 0 22 34 2 0 0 0 0 23 28 2 0 0 0 0 23 39 1 0 0 0 0 24 33 2 0 0 0 0 24 40 1 0 0 0 0 25 33 1 0 0 0 0 25 41 2 0 0 0 0 26 29 2 0 0 0 0 26 45 1 0 0 0 0 27 46 1 0 0 0 0 28 43 1 0 0 0 0 29 47 1 0 0 0 0 30 33 1 0 0 0 0 30 46 1 0 0 0 0 31 34 1 0 0 0 0 31 44 1 0 0 0 0 32 16 1 1 0 0 0 32 35 1 0 0 0 0 32 45 1 0 0 0 0 34 42 1 0 0 0 0 35 19 1 6 0 0 0 35 47 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	21723008
ChEMBL	CHEMBL501111
ZINC

Physicochemical Properties

Molecular Weight:	642.17
ALogP:	-3.4826
MLogP:	3.99
XLogP:	1.968
# Rotatable Bonds:	16
Polar Surface Area:	184.6
# H-Bond Aceptor:	3
# H-Bond Donor:	6
# Rings:	6
# Heavy Atoms:	47

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