NPASS Natural Product

Natural Product: NPC475799

Natural Product ID:	NPC475799
Common Name:	Broussoflavonol E
IUPAC Name:	2-[4,5-dihydroxy-2,3-bis(3-methylbut-2-enyl)phenyl]-3,5,7-trihydroxy-8-(3-methylbut-2-enyl)chromen-4-one
Synonyms:	Broussoflavonol E; Broussoflavonol G
Molecular Formula:	C30H34O7
Standard InCHIKey:	XYNNBNIJZARIJF-UHFFFAOYSA-N
Standard InCHI:	InChI=1S/C30H34O7/c1-15(2)7-10-18-19(11-8-16(3)4)26(34)24(33)13-21(18)30-28(36)27(35)25-23(32)14-22(31)20(29(25)37-30)12-9-17(5)6/h7-9,13-14,31-34,36H,10-12H2,1-6H3
Canonical SMILES:	CC(=CCc1c(CC=C(C)C)c(O)c(cc1c1oc2c(CC=C(C)C)c(O)cc(c2c(=O)c1O)O)O)C
First Find Year:
Max Developmental Stage:
Synthetic Gene Cluster:	;

Species Source

Organism ID	Organism Name	Taxonomy Level	Family	SuperKingdom	Reference
NPO17767	Artocarpus heterophyllus	Species	Moraceae	Eukaryota	PMID[8864236]
NPO5495	Broussonetia papyrifera	Species	Moraceae	Eukaryota	PMID[8864236]
NPO11796	Morus australis	Species	Moraceae	Eukaryota	PMID[9358644]
NPO5495	Broussonetia papyrifera	Species	Moraceae	Eukaryota	PMID[9358644]

Biological Activity

Activity Type	# Activity
IC50	2
Others	8

Activity Type	# Activity
Others	10

Target ID	Target Type	Target Name	Activity Type	Activity Relation	Value	Unit	Reference
NPT2	Others	Unspecified	IC50	=	39900	nM	22264149
NPT2	Others	Unspecified	Activity	=	91.8	%	DrugMatrix in vivo data: Pathology
NPT2	Others	Unspecified	Activity	=	86.4	%	DrugMatrix in vivo data: Pathology
NPT2	Others	Unspecified	IC50	=	1000	nM	10.1007/s00044-012-0142-7
NPT2	Others	Unspecified	Inhibition	=	0	%	23642481
NPT2	Others	Unspecified	Inhibition	=	0.4	%	22880631
NPT2	Others	Unspecified	Inhibition	=	127	%	22880631
NPT2	Others	Unspecified	Inhibition	=	0	%	22880631
NPT2	Others	Unspecified	Activity	=	0	%	17665952

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 NPC475799 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	332
0.1-0.2	1278
0.2-0.3	2459
0.3-0.4	6335
0.4-0.5	6767
0.5-0.6	2474
0.6-0.7	3574
0.7-0.8	4138
0.8-0.85	1949
0.85-0.9	1247
0.9-0.95	318
0.95-1	18

Similarity Score	Similarity Level	Natural Product ID
1.0	High Similarity	NPC13779
0.9933	High Similarity	NPC273843
0.973	High Similarity	NPC59162
0.973	High Similarity	NPC304295
0.973	High Similarity	NPC205046
0.9664	High Similarity	NPC157784
0.9664	High Similarity	NPC63187
0.9664	High Similarity	NPC37684
0.9603	High Similarity	NPC3980
0.9545	High Similarity	NPC211107
0.9539	High Similarity	NPC237418
0.9539	High Similarity	NPC236796
0.9536	High Similarity	NPC133392
0.9536	High Similarity	NPC56786
0.9536	High Similarity	NPC80534
0.9533	High Similarity	NPC249570
0.953	High Similarity	NPC3825
0.953	High Similarity	NPC88804
0.9481	High Similarity	NPC278427
0.9477	High Similarity	NPC210459
0.9474	High Similarity	NPC142339
0.947	High Similarity	NPC476631
0.9423	High Similarity	NPC475888
0.9416	High Similarity	NPC321399
0.9416	High Similarity	NPC119224
0.9416	High Similarity	NPC320359
0.9404	High Similarity	NPC471982
0.9359	High Similarity	NPC474240
0.9355	High Similarity	NPC187354
0.9355	High Similarity	NPC40491
0.9355	High Similarity	NPC278052
0.9351	High Similarity	NPC85121
0.9351	High Similarity	NPC46736
0.9351	High Similarity	NPC197856
0.9351	High Similarity	NPC280680
0.9351	High Similarity	NPC100123
0.9342	High Similarity	NPC170492
0.9342	High Similarity	NPC298692
0.9342	High Similarity	NPC89474
0.9338	High Similarity	NPC154345
0.9333	High Similarity	NPC270465
0.9333	High Similarity	NPC87125
0.9295	High Similarity	NPC329760
0.9295	High Similarity	NPC201800
0.9295	High Similarity	NPC78332
0.929	High Similarity	NPC56085
0.929	High Similarity	NPC36217
0.929	High Similarity	NPC235018
0.929	High Similarity	NPC45146
0.929	High Similarity	NPC471973
0.929	High Similarity	NPC246478
0.929	High Similarity	NPC476280
0.929	High Similarity	NPC297212
0.929	High Similarity	NPC14353
0.929	High Similarity	NPC228785
0.9286	High Similarity	NPC476630
0.9286	High Similarity	NPC136674
0.9286	High Similarity	NPC218871
0.9281	High Similarity	NPC67396
0.9276	High Similarity	NPC106976
0.9272	High Similarity	NPC149127
0.9272	High Similarity	NPC286342
0.9272	High Similarity	NPC188871
0.9262	High Similarity	NPC20791
0.9262	High Similarity	NPC169749
0.9262	High Similarity	NPC179271
0.9241	High Similarity	NPC39091
0.9236	High Similarity	NPC189473
0.9236	High Similarity	NPC270837
0.9236	High Similarity	NPC186686
0.9236	High Similarity	NPC7483
0.9236	High Similarity	NPC23298
0.9236	High Similarity	NPC236132
0.9236	High Similarity	NPC207690
0.9231	High Similarity	NPC32694
0.9231	High Similarity	NPC61010
0.9231	High Similarity	NPC474239
0.9226	High Similarity	NPC22192
0.9226	High Similarity	NPC235448
0.9226	High Similarity	NPC469658
0.9221	High Similarity	NPC153512
0.9221	High Similarity	NPC472626
0.9221	High Similarity	NPC24640
0.9221	High Similarity	NPC209614
0.9221	High Similarity	NPC471985
0.9221	High Similarity	NPC470328
0.9221	High Similarity	NPC276444
0.9221	High Similarity	NPC274730
0.9221	High Similarity	NPC472907
0.9216	High Similarity	NPC93552
0.9216	High Similarity	NPC213896
0.9216	High Similarity	NPC58382
0.9216	High Similarity	NPC473664
0.9216	High Similarity	NPC179126
0.9216	High Similarity	NPC270620
0.9216	High Similarity	NPC236223
0.9216	High Similarity	NPC78326
0.9216	High Similarity	NPC189130
0.9216	High Similarity	NPC162351
0.9216	High Similarity	NPC192083
0.9216	High Similarity	NPC74924
0.9211	High Similarity	NPC252933
0.9211	High Similarity	NPC202157
0.9211	High Similarity	NPC133953
0.9211	High Similarity	NPC260895
0.9211	High Similarity	NPC125062
0.9211	High Similarity	NPC28274
0.9211	High Similarity	NPC54394
0.9211	High Similarity	NPC200740
0.9211	High Similarity	NPC50403
0.9205	High Similarity	NPC48479
0.9205	High Similarity	NPC269420
0.9205	High Similarity	NPC177298
0.92	High Similarity	NPC108406
0.92	High Similarity	NPC74881
0.92	High Similarity	NPC51443
0.92	High Similarity	NPC259632
0.9189	High Similarity	NPC175013
0.9182	High Similarity	NPC218226
0.9182	High Similarity	NPC126204
0.9182	High Similarity	NPC476306
0.9177	High Similarity	NPC239752
0.9177	High Similarity	NPC293319
0.9177	High Similarity	NPC472450
0.9177	High Similarity	NPC275780
0.9177	High Similarity	NPC156432
0.9172	High Similarity	NPC470694
0.9172	High Similarity	NPC25152
0.9172	High Similarity	NPC206605
0.9172	High Similarity	NPC294965
0.9167	High Similarity	NPC470183
0.9167	High Similarity	NPC80375
0.9167	High Similarity	NPC475886
0.9167	High Similarity	NPC476283
0.9167	High Similarity	NPC287328
0.9167	High Similarity	NPC470326
0.9167	High Similarity	NPC474287
0.9167	High Similarity	NPC282009
0.9167	High Similarity	NPC299436
0.9161	High Similarity	NPC165977
0.9161	High Similarity	NPC241904
0.9161	High Similarity	NPC300727
0.9161	High Similarity	NPC472963
0.9161	High Similarity	NPC217677
0.9156	High Similarity	NPC472280
0.9156	High Similarity	NPC477503
0.9156	High Similarity	NPC321779
0.9156	High Similarity	NPC113906
0.9156	High Similarity	NPC470327
0.9156	High Similarity	NPC234255
0.9156	High Similarity	NPC45849
0.9156	High Similarity	NPC200761
0.915	High Similarity	NPC82325
0.915	High Similarity	NPC55205
0.915	High Similarity	NPC279989
0.915	High Similarity	NPC237994
0.915	High Similarity	NPC123886
0.9145	High Similarity	NPC166753
0.9145	High Similarity	NPC85131
0.9145	High Similarity	NPC151473
0.9145	High Similarity	NPC219330
0.9145	High Similarity	NPC50728
0.9139	High Similarity	NPC166036
0.9139	High Similarity	NPC238279
0.9139	High Similarity	NPC203077
0.9139	High Similarity	NPC120464
0.9128	High Similarity	NPC212932
0.9128	High Similarity	NPC279121
0.9128	High Similarity	NPC190637
0.9128	High Similarity	NPC24821
0.9128	High Similarity	NPC293053
0.9128	High Similarity	NPC9117
0.9119	High Similarity	NPC37870
0.9119	High Similarity	NPC43319
0.9119	High Similarity	NPC472449
0.9119	High Similarity	NPC470462
0.9114	High Similarity	NPC41301
0.9114	High Similarity	NPC236521
0.9114	High Similarity	NPC12461
0.9114	High Similarity	NPC248638
0.9114	High Similarity	NPC220313
0.9114	High Similarity	NPC470459
0.9114	High Similarity	NPC152659
0.9114	High Similarity	NPC476295
0.9114	High Similarity	NPC472625
0.9108	High Similarity	NPC289771
0.9108	High Similarity	NPC475883
0.9108	High Similarity	NPC474187
0.9108	High Similarity	NPC474186
0.9108	High Similarity	NPC474351
0.9108	High Similarity	NPC66288
0.9108	High Similarity	NPC471499
0.9103	High Similarity	NPC329091
0.9103	High Similarity	NPC172770
0.9103	High Similarity	NPC476242
0.9103	High Similarity	NPC185258
0.9097	High Similarity	NPC291878
0.9097	High Similarity	NPC471500
0.9097	High Similarity	NPC195796
0.9097	High Similarity	NPC49824

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC475799 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	348
0.1-0.2	931
0.2-0.3	1598
0.3-0.4	2619
0.4-0.5	1940
0.5-0.6	1047
0.6-0.7	478
0.7-0.8	147
0.8-0.85	38
0.85-0.9	11
0.9-0.95	4
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.9262	High Similarity	NPD1512	Approved
0.9216	High Similarity	NPD2393	Clinical (unspecified phase)
0.9128	High Similarity	NPD1511	Approved
0.9067	High Similarity	NPD4378	Clinical (unspecified phase)
0.8968	High Similarity	NPD2801	Approved
0.8903	High Similarity	NPD1934	Approved
0.8734	High Similarity	NPD3882	Suspended
0.8704	High Similarity	NPD6167	Clinical (unspecified phase)
0.8704	High Similarity	NPD6166	Phase 2
0.8704	High Similarity	NPD6168	Clinical (unspecified phase)
0.8671	High Similarity	NPD3817	Phase 2
0.8608	High Similarity	NPD7819	Suspended
0.8562	High Similarity	NPD7075	Discontinued
0.8537	High Similarity	NPD7473	Discontinued
0.8503	High Similarity	NPD7251	Discontinued
0.8491	Intermediate Similarity	NPD7096	Clinical (unspecified phase)
0.8466	Intermediate Similarity	NPD6232	Discontinued
0.8452	Intermediate Similarity	NPD7410	Clinical (unspecified phase)
0.8443	Intermediate Similarity	NPD6797	Phase 2
0.8434	Intermediate Similarity	NPD7054	Approved
0.8418	Intermediate Similarity	NPD4380	Phase 2
0.8405	Intermediate Similarity	NPD6959	Discontinued
0.8383	Intermediate Similarity	NPD7472	Approved
0.8383	Intermediate Similarity	NPD7074	Phase 3
0.8373	Intermediate Similarity	NPD3818	Discontinued
0.8343	Intermediate Similarity	NPD7808	Phase 3
0.8323	Intermediate Similarity	NPD7804	Clinical (unspecified phase)
0.8323	Intermediate Similarity	NPD8443	Clinical (unspecified phase)
0.8313	Intermediate Similarity	NPD6801	Discontinued
0.8301	Intermediate Similarity	NPD970	Clinical (unspecified phase)
0.8272	Intermediate Similarity	NPD4868	Clinical (unspecified phase)
0.8261	Intermediate Similarity	NPD1465	Phase 2
0.8235	Intermediate Similarity	NPD1550	Clinical (unspecified phase)
0.8235	Intermediate Similarity	NPD4338	Clinical (unspecified phase)
0.8235	Intermediate Similarity	NPD1552	Clinical (unspecified phase)
0.8232	Intermediate Similarity	NPD5494	Approved
0.8224	Intermediate Similarity	NPD1510	Phase 2
0.8194	Intermediate Similarity	NPD3750	Approved
0.8182	Intermediate Similarity	NPD1549	Phase 2
0.817	Intermediate Similarity	NPD2796	Approved
0.8153	Intermediate Similarity	NPD6799	Approved
0.8129	Intermediate Similarity	NPD2800	Approved
0.811	Intermediate Similarity	NPD4381	Clinical (unspecified phase)
0.8107	Intermediate Similarity	NPD5844	Phase 1
0.8105	Intermediate Similarity	NPD651	Clinical (unspecified phase)
0.8101	Intermediate Similarity	NPD2533	Approved
0.8101	Intermediate Similarity	NPD2532	Approved
0.8101	Intermediate Similarity	NPD2534	Approved
0.8079	Intermediate Similarity	NPD943	Approved
0.8079	Intermediate Similarity	NPD1240	Approved
0.8075	Intermediate Similarity	NPD6599	Discontinued
0.8025	Intermediate Similarity	NPD7411	Suspended
0.8012	Intermediate Similarity	NPD7993	Clinical (unspecified phase)
0.7987	Intermediate Similarity	NPD1509	Clinical (unspecified phase)
0.7974	Intermediate Similarity	NPD1607	Approved
0.7964	Intermediate Similarity	NPD1247	Approved
0.7952	Intermediate Similarity	NPD919	Approved
0.7939	Intermediate Similarity	NPD7768	Phase 2
0.7935	Intermediate Similarity	NPD6099	Approved
0.7935	Intermediate Similarity	NPD6100	Approved
0.7925	Intermediate Similarity	NPD7390	Discontinued
0.7901	Intermediate Similarity	NPD3226	Approved
0.7892	Intermediate Similarity	NPD3749	Approved
0.7879	Intermediate Similarity	NPD5402	Approved
0.7871	Intermediate Similarity	NPD3748	Approved
0.787	Intermediate Similarity	NPD3926	Phase 2
0.7867	Intermediate Similarity	NPD1530	Clinical (unspecified phase)
0.7824	Intermediate Similarity	NPD7852	Clinical (unspecified phase)
0.7821	Intermediate Similarity	NPD2935	Discontinued
0.7815	Intermediate Similarity	NPD1529	Clinical (unspecified phase)
0.7785	Intermediate Similarity	NPD1243	Approved
0.7778	Intermediate Similarity	NPD5403	Approved
0.7771	Intermediate Similarity	NPD2346	Discontinued
0.7759	Intermediate Similarity	NPD6559	Discontinued
0.7742	Intermediate Similarity	NPD6651	Approved
0.7677	Intermediate Similarity	NPD230	Phase 1
0.7673	Intermediate Similarity	NPD7421	Clinical (unspecified phase)
0.7667	Intermediate Similarity	NPD7879	Clinical (unspecified phase)
0.7663	Intermediate Similarity	NPD7501	Clinical (unspecified phase)
0.7661	Intermediate Similarity	NPD7184	Clinical (unspecified phase)
0.7654	Intermediate Similarity	NPD8397	Clinical (unspecified phase)
0.7654	Intermediate Similarity	NPD5401	Approved
0.7643	Intermediate Similarity	NPD2799	Discontinued
0.7633	Intermediate Similarity	NPD6234	Discontinued
0.7625	Intermediate Similarity	NPD6398	Clinical (unspecified phase)
0.7614	Intermediate Similarity	NPD4419	Clinical (unspecified phase)
0.7613	Intermediate Similarity	NPD1613	Approved
0.7613	Intermediate Similarity	NPD1612	Clinical (unspecified phase)
0.7597	Intermediate Similarity	NPD6859	Clinical (unspecified phase)
0.7597	Intermediate Similarity	NPD2313	Discontinued
0.7561	Intermediate Similarity	NPD920	Approved
0.7547	Intermediate Similarity	NPD2344	Approved
0.7546	Intermediate Similarity	NPD7422	Clinical (unspecified phase)
0.7544	Intermediate Similarity	NPD7199	Phase 2
0.7532	Intermediate Similarity	NPD4625	Phase 3
0.7529	Intermediate Similarity	NPD3751	Discontinued
0.75	Intermediate Similarity	NPD3787	Discontinued
0.75	Intermediate Similarity	NPD5711	Approved
0.75	Intermediate Similarity	NPD5710	Approved
0.7486	Intermediate Similarity	NPD8055	Clinical (unspecified phase)
0.7486	Intermediate Similarity	NPD7286	Phase 2
0.7484	Intermediate Similarity	NPD1551	Phase 2
0.7455	Intermediate Similarity	NPD6980	Clinical (unspecified phase)
0.7452	Intermediate Similarity	NPD447	Suspended
0.744	Intermediate Similarity	NPD37	Approved
0.7439	Intermediate Similarity	NPD642	Clinical (unspecified phase)
0.7429	Intermediate Similarity	NPD7228	Approved
0.7423	Intermediate Similarity	NPD643	Clinical (unspecified phase)
0.7419	Intermediate Similarity	NPD3027	Phase 3
0.7412	Intermediate Similarity	NPD4965	Approved
0.7412	Intermediate Similarity	NPD4967	Phase 2
0.7412	Intermediate Similarity	NPD4966	Approved
0.7407	Intermediate Similarity	NPD4628	Phase 3
0.7405	Intermediate Similarity	NPD8090	Clinical (unspecified phase)
0.7401	Intermediate Similarity	NPD5953	Discontinued
0.7399	Intermediate Similarity	NPD7229	Phase 3
0.7389	Intermediate Similarity	NPD4060	Phase 1
0.7374	Intermediate Similarity	NPD8313	Approved
0.7374	Intermediate Similarity	NPD8312	Approved
0.7372	Intermediate Similarity	NPD3268	Approved
0.7372	Intermediate Similarity	NPD4907	Clinical (unspecified phase)
0.7362	Intermediate Similarity	NPD2309	Approved
0.7351	Intermediate Similarity	NPD1201	Approved
0.7348	Intermediate Similarity	NPD8434	Phase 2
0.7348	Intermediate Similarity	NPD8150	Discontinued
0.7338	Intermediate Similarity	NPD2798	Approved
0.7329	Intermediate Similarity	NPD1471	Phase 3
0.7301	Intermediate Similarity	NPD1878	Clinical (unspecified phase)
0.7297	Intermediate Similarity	NPD4363	Phase 3
0.7297	Intermediate Similarity	NPD4360	Phase 2
0.7287	Intermediate Similarity	NPD6780	Approved
0.7287	Intermediate Similarity	NPD6779	Approved
0.7287	Intermediate Similarity	NPD6778	Approved
0.7287	Intermediate Similarity	NPD6777	Approved
0.7287	Intermediate Similarity	NPD6776	Approved
0.7287	Intermediate Similarity	NPD6781	Approved
0.7287	Intermediate Similarity	NPD6782	Approved
0.7273	Intermediate Similarity	NPD1470	Approved
0.7273	Intermediate Similarity	NPD2797	Approved
0.7273	Intermediate Similarity	NPD6143	Clinical (unspecified phase)
0.7273	Intermediate Similarity	NPD1203	Approved
0.7267	Intermediate Similarity	NPD5405	Approved
0.7267	Intermediate Similarity	NPD5404	Approved
0.7267	Intermediate Similarity	NPD5406	Approved
0.7267	Intermediate Similarity	NPD5408	Approved
0.7263	Intermediate Similarity	NPD7435	Discontinued
0.7256	Intermediate Similarity	NPD6190	Approved
0.7254	Intermediate Similarity	NPD8151	Discontinued
0.7251	Intermediate Similarity	NPD4288	Approved
0.7244	Intermediate Similarity	NPD4908	Phase 1
0.7216	Intermediate Similarity	NPD2403	Approved
0.7212	Intermediate Similarity	NPD3300	Phase 2
0.719	Intermediate Similarity	NPD9269	Phase 2
0.719	Intermediate Similarity	NPD1608	Approved
0.7173	Intermediate Similarity	NPD7697	Approved
0.7173	Intermediate Similarity	NPD7698	Approved
0.7173	Intermediate Similarity	NPD7696	Phase 3
0.7166	Intermediate Similarity	NPD4362	Clinical (unspecified phase)
0.7166	Intermediate Similarity	NPD4361	Phase 2
0.716	Intermediate Similarity	NPD5808	Clinical (unspecified phase)
0.7143	Intermediate Similarity	NPD4379	Clinical (unspecified phase)
0.7143	Intermediate Similarity	NPD4749	Approved
0.7135	Intermediate Similarity	NPD7870	Phase 2
0.7135	Intermediate Similarity	NPD7871	Phase 2
0.7134	Intermediate Similarity	NPD6832	Phase 2
0.7125	Intermediate Similarity	NPD1933	Approved
0.7125	Intermediate Similarity	NPD6355	Discontinued
0.7124	Intermediate Similarity	NPD1610	Phase 2
0.7124	Intermediate Similarity	NPD422	Phase 1
0.7113	Intermediate Similarity	NPD7701	Phase 2
0.7101	Intermediate Similarity	NPD1653	Approved
0.7099	Intermediate Similarity	NPD4308	Phase 3
0.7099	Intermediate Similarity	NPD7033	Discontinued
0.7089	Intermediate Similarity	NPD7095	Approved
0.7086	Intermediate Similarity	NPD1548	Phase 1
0.7078	Intermediate Similarity	NPD9717	Approved
0.7076	Intermediate Similarity	NPD7615	Clinical (unspecified phase)
0.7072	Intermediate Similarity	NPD7685	Pre-registration
0.707	Intermediate Similarity	NPD9494	Approved
0.7062	Intermediate Similarity	NPD7584	Approved
0.7059	Intermediate Similarity	NPD7458	Discontinued
0.7051	Intermediate Similarity	NPD3266	Approved
0.7051	Intermediate Similarity	NPD3267	Approved
0.7044	Intermediate Similarity	NPD6798	Discontinued
0.7044	Intermediate Similarity	NPD6410	Clinical (unspecified phase)
0.7044	Intermediate Similarity	NPD3764	Approved
0.7041	Intermediate Similarity	NPD7874	Approved
0.7041	Intermediate Similarity	NPD7875	Clinical (unspecified phase)
0.703	Intermediate Similarity	NPD2654	Approved
0.703	Intermediate Similarity	NPD5698	Clinical (unspecified phase)
0.7024	Intermediate Similarity	NPD7004	Clinical (unspecified phase)
0.7021	Intermediate Similarity	NPD6534	Approved
0.7021	Intermediate Similarity	NPD6535	Approved
0.7019	Intermediate Similarity	NPD1899	Clinical (unspecified phase)
0.7013	Intermediate Similarity	NPD1547	Clinical (unspecified phase)
0.7005	Intermediate Similarity	NPD7782	Clinical (unspecified phase)
0.7005	Intermediate Similarity	NPD7801	Approved
0.7005	Intermediate Similarity	NPD7783	Phase 2
0.7	Intermediate Similarity	NPD7699	Phase 2
0.7	Intermediate Similarity	NPD7700	Phase 2

Structure

NPC475799 OpenBabel07101718182D 37 39 0 0 0 0 0 0 0 0999 V2000 2.5981 -3.5000 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 6.0622 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9282 0.0000 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 -3.4641 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 -2.0000 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 -2.5981 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 4.3301 -0.5000 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 1.7321 1.0000 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 3.4641 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0622 -0.5000 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 2.5981 -0.5000 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 -1.7321 -0.0000 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 -0.5000 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 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 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 -0.0000 -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 -0.8660 -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 -3.4641 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 -3.0000 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 4.3301 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 -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 15 1 0 0 0 0 2 15 1 0 0 0 0 3 16 1 0 0 0 0 4 16 1 0 0 0 0 5 17 1 0 0 0 0 6 17 1 0 0 0 0 7 10 1 0 0 0 0 7 15 2 0 0 0 0 8 11 1 0 0 0 0 8 16 2 0 0 0 0 9 12 1 0 0 0 0 9 17 2 0 0 0 0 10 18 1 0 0 0 0 11 19 1 0 0 0 0 12 20 1 0 0 0 0 13 21 2 0 0 0 0 13 24 1 0 0 0 0 14 22 2 0 0 0 0 14 23 1 0 0 0 0 18 19 2 0 0 0 0 18 21 1 0 0 0 0 19 26 1 0 0 0 0 20 22 1 0 0 0 0 20 29 2 0 0 0 0 21 30 1 0 0 0 0 22 31 1 0 0 0 0 23 25 2 0 0 0 0 23 32 1 0 0 0 0 24 26 2 0 0 0 0 24 33 1 0 0 0 0 25 27 1 0 0 0 0 25 29 1 0 0 0 0 26 34 1 0 0 0 0 27 28 1 0 0 0 0 27 35 2 0 0 0 0 28 30 2 0 0 0 0 28 36 1 0 0 0 0 29 37 1 0 0 0 0 30 37 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	10368916
ChEMBL	CHEMBL516319
ZINC

Physicochemical Properties

Molecular Weight:	506.23
ALogP:	2.831
MLogP:	3.99
XLogP:	6.002
# Rotatable Bonds:	18
Polar Surface Area:	127.45
# H-Bond Aceptor:	2
# H-Bond Donor:	5
# Rings:	3
# Heavy Atoms:	37

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