NPASS Natural Product

Natural Product: NPC95864

Natural Product ID:	NPC95864
Common Name:	Sappanone A
IUPAC Name:	(3E)-3-[(3,4-dihydroxyphenyl)methylidene]-7-hydroxychromen-4-one
Synonyms:
Molecular Formula:	C16H12O5
Standard InCHIKey:	KVYZXXBTJHJISR-BJMVGYQFSA-N
Standard InCHI:	InChI=1S/C16H12O5/c17-11-2-3-12-15(7-11)21-8-10(16(12)20)5-9-1-4-13(18)14(19)6-9/h1-7,17-19H,8H2/b10-5+
Canonical SMILES:	Oc1ccc2c(c1)OC/C(=Cc1ccc(c(c1)O)O)/C2=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
NPO32846	heamatoxylon campechianum	Species	NA	NA	Stems	XiShuangBanNa, Yunnan Province, China	2005-SEP	PMID[18610999]
NPO29935	Caesalpinia sappan	Species	Fabaceae	Eukaryota				PMID[23234407]
NPO2554	Biancaea sappan	Species	Fabaceae	Eukaryota				TM-MC*

Biological Activity

Activity Type	# Activity
IC50	5
Others	8

Activity Type	# Activity
Cell Line	2
Individual Protein	7
Others	3
Tissue	1

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT1	Others	Radical scavenging activity		IC50	=	35000	nM	17967537
NPT632	Tissue	Brain	Rattus norvegicus	IC50	=	14330	nM	17967537
NPT2	Others	Unspecified		Activity	=	49.3		17967537
NPT36	Individual Protein	Tyrosine-protein kinase SRC	Homo sapiens	Inhibition	=	7.7	%	18610999
NPT1478	Individual Protein	Vascular endothelial growth factor receptor 2	Homo sapiens	Inhibition	=	52	%	18610999
NPT1479	Individual Protein	Stem cell growth factor receptor	Homo sapiens	Inhibition	=	17.5	%	18610999
NPT285	Individual Protein	Epidermal growth factor receptor erbB1	Homo sapiens	Inhibition	=	6.4	%	18610999
NPT1480	Individual Protein	Fibroblast growth factor receptor 1	Homo sapiens	Inhibition	=	69.5	%	18610999
NPT1481	Individual Protein	Fibroblast growth factor receptor 2	Homo sapiens	Inhibition	=	17.7	%	18610999
NPT1337	Individual Protein	Hepatocyte growth factor receptor	Homo sapiens	Inhibition	=	56.6	%	18610999
NPT35	Others	n.a.		IC50	=	96580	nM	23234407
NPT113	Cell Line	RAW264.7	Mus musculus	IC50	=	8300	nM	23234407
NPT113	Cell Line	RAW264.7	Mus musculus	IC50	=	5700	nM	23234407

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 NPC95864 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	321
0.1-0.2	1253
0.2-0.3	2819
0.3-0.4	6758
0.4-0.5	6084
0.5-0.6	2331
0.6-0.7	3462
0.7-0.8	4189
0.8-0.85	1678
0.85-0.9	1423
0.9-0.95	541
0.95-1	30

Similarity Score	Similarity Level	Natural Product ID
0.9859	High Similarity	NPC105512
0.9789	High Similarity	NPC3036
0.9722	High Similarity	NPC31363
0.972	High Similarity	NPC1612
0.972	High Similarity	NPC183959
0.9655	High Similarity	NPC257648
0.9655	High Similarity	NPC477231
0.965	High Similarity	NPC119059
0.965	High Similarity	NPC188679
0.965	High Similarity	NPC321011
0.965	High Similarity	NPC294852
0.9589	High Similarity	NPC141212
0.9589	High Similarity	NPC469550
0.958	High Similarity	NPC108406
0.9577	High Similarity	NPC70136
0.9524	High Similarity	NPC2928
0.9521	High Similarity	NPC219582
0.9521	High Similarity	NPC302950
0.9521	High Similarity	NPC236637
0.9521	High Similarity	NPC472912
0.9521	High Similarity	NPC260979
0.9517	High Similarity	NPC29231
0.9514	High Similarity	NPC196277
0.9514	High Similarity	NPC272721
0.9514	High Similarity	NPC43669
0.9507	High Similarity	NPC242893
0.9507	High Similarity	NPC279121
0.9507	High Similarity	NPC38065
0.9504	High Similarity	NPC301178
0.9504	High Similarity	NPC284556
0.9459	High Similarity	NPC472916
0.9459	High Similarity	NPC474638
0.9456	High Similarity	NPC213896
0.9456	High Similarity	NPC256346
0.9456	High Similarity	NPC192083
0.9456	High Similarity	NPC325028
0.9456	High Similarity	NPC27532
0.9456	High Similarity	NPC246328
0.9456	High Similarity	NPC18727
0.9452	High Similarity	NPC260895
0.9452	High Similarity	NPC204515
0.9448	High Similarity	NPC52005
0.9448	High Similarity	NPC87125
0.9448	High Similarity	NPC183950
0.9448	High Similarity	NPC270465
0.9448	High Similarity	NPC137062
0.9448	High Similarity	NPC287101
0.9448	High Similarity	NPC223579
0.9444	High Similarity	NPC74881
0.9444	High Similarity	NPC51443
0.9444	High Similarity	NPC168803
0.9444	High Similarity	NPC77378
0.9437	High Similarity	NPC471417
0.9437	High Similarity	NPC175013
0.9396	High Similarity	NPC299520
0.9396	High Similarity	NPC52530
0.9396	High Similarity	NPC291508
0.9396	High Similarity	NPC67876
0.9396	High Similarity	NPC129684
0.9396	High Similarity	NPC210084
0.9396	High Similarity	NPC99597
0.9392	High Similarity	NPC168247
0.9392	High Similarity	NPC321779
0.9392	High Similarity	NPC152951
0.9392	High Similarity	NPC117992
0.9392	High Similarity	NPC230149
0.9392	High Similarity	NPC67396
0.9392	High Similarity	NPC57674
0.9388	High Similarity	NPC39732
0.9388	High Similarity	NPC260491
0.9388	High Similarity	NPC60972
0.9388	High Similarity	NPC106976
0.9388	High Similarity	NPC240476
0.9388	High Similarity	NPC55205
0.9388	High Similarity	NPC36835
0.9388	High Similarity	NPC61506
0.9388	High Similarity	NPC246162
0.9388	High Similarity	NPC9743
0.9384	High Similarity	NPC149127
0.9384	High Similarity	NPC286342
0.9384	High Similarity	NPC184136
0.9384	High Similarity	NPC188871
0.9384	High Similarity	NPC62042
0.9379	High Similarity	NPC12367
0.9379	High Similarity	NPC118726
0.9379	High Similarity	NPC276930
0.9379	High Similarity	NPC203747
0.9379	High Similarity	NPC194653
0.9379	High Similarity	NPC139364
0.9379	High Similarity	NPC80710
0.9379	High Similarity	NPC120464
0.9379	High Similarity	NPC254702
0.9379	High Similarity	NPC194856
0.9375	High Similarity	NPC179271
0.9375	High Similarity	NPC20791
0.9357	High Similarity	NPC275055
0.9357	High Similarity	NPC290291
0.9333	High Similarity	NPC55738
0.9329	High Similarity	NPC320825
0.9329	High Similarity	NPC235165
0.9329	High Similarity	NPC195796
0.9329	High Similarity	NPC170026
0.9329	High Similarity	NPC35038
0.9329	High Similarity	NPC13858
0.9329	High Similarity	NPC471500
0.9329	High Similarity	NPC278778
0.9329	High Similarity	NPC291878
0.9329	High Similarity	NPC326037
0.9329	High Similarity	NPC255106
0.9329	High Similarity	NPC282307
0.9329	High Similarity	NPC24640
0.9324	High Similarity	NPC206238
0.9324	High Similarity	NPC273462
0.9324	High Similarity	NPC292214
0.9324	High Similarity	NPC74924
0.9324	High Similarity	NPC298692
0.9324	High Similarity	NPC33051
0.9324	High Similarity	NPC472915
0.9324	High Similarity	NPC167091
0.9324	High Similarity	NPC227337
0.9324	High Similarity	NPC49402
0.9324	High Similarity	NPC271779
0.9324	High Similarity	NPC70433
0.9324	High Similarity	NPC88645
0.932	High Similarity	NPC125062
0.932	High Similarity	NPC252933
0.932	High Similarity	NPC200740
0.932	High Similarity	NPC154345
0.932	High Similarity	NPC251110
0.932	High Similarity	NPC54394
0.9315	High Similarity	NPC48479
0.9315	High Similarity	NPC139293
0.9315	High Similarity	NPC195763
0.9315	High Similarity	NPC264550
0.9315	High Similarity	NPC69430
0.9315	High Similarity	NPC264289
0.9315	High Similarity	NPC177298
0.9315	High Similarity	NPC333691
0.9315	High Similarity	NPC142876
0.9315	High Similarity	NPC200060
0.9315	High Similarity	NPC38545
0.9315	High Similarity	NPC171916
0.9315	High Similarity	NPC40290
0.931	High Similarity	NPC140840
0.931	High Similarity	NPC86847
0.931	High Similarity	NPC207729
0.931	High Similarity	NPC275772
0.931	High Similarity	NPC130230
0.931	High Similarity	NPC125449
0.931	High Similarity	NPC239312
0.931	High Similarity	NPC12200
0.931	High Similarity	NPC188074
0.9301	High Similarity	NPC287722
0.9301	High Similarity	NPC254659
0.9291	High Similarity	NPC99333
0.9291	High Similarity	NPC280284
0.9291	High Similarity	NPC188947
0.9272	High Similarity	NPC474960
0.9267	High Similarity	NPC162869
0.9267	High Similarity	NPC472911
0.9267	High Similarity	NPC471209
0.9267	High Similarity	NPC96167
0.9267	High Similarity	NPC472914
0.9267	High Similarity	NPC472913
0.9267	High Similarity	NPC471479
0.9267	High Similarity	NPC474208
0.9267	High Similarity	NPC472598
0.9267	High Similarity	NPC156057
0.9267	High Similarity	NPC472963
0.9267	High Similarity	NPC222814
0.9267	High Similarity	NPC475267
0.9267	High Similarity	NPC474836
0.9267	High Similarity	NPC472910
0.9267	High Similarity	NPC48208
0.9267	High Similarity	NPC245758
0.9267	High Similarity	NPC52889
0.9267	High Similarity	NPC474055
0.9267	High Similarity	NPC27337
0.9267	High Similarity	NPC471515
0.9262	High Similarity	NPC470327
0.9262	High Similarity	NPC255807
0.9262	High Similarity	NPC213622
0.9262	High Similarity	NPC477503
0.9262	High Similarity	NPC45849
0.9262	High Similarity	NPC200761
0.9262	High Similarity	NPC256925
0.9262	High Similarity	NPC256612
0.9262	High Similarity	NPC20830
0.9262	High Similarity	NPC31018
0.9262	High Similarity	NPC234255
0.9262	High Similarity	NPC113906
0.9257	High Similarity	NPC212678
0.9257	High Similarity	NPC100887
0.9257	High Similarity	NPC275836
0.9257	High Similarity	NPC301323
0.9257	High Similarity	NPC239128
0.9257	High Similarity	NPC25270
0.9257	High Similarity	NPC83508
0.9257	High Similarity	NPC156222
0.9257	High Similarity	NPC180234

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC95864 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	324
0.1-0.2	897
0.2-0.3	1591
0.3-0.4	2556
0.4-0.5	1904
0.5-0.6	1144
0.6-0.7	528
0.7-0.8	152
0.8-0.85	32
0.85-0.9	24
0.9-0.95	7
0.95-1	2

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.9521	High Similarity	NPD1934	Approved
0.9507	High Similarity	NPD1511	Approved
0.9456	High Similarity	NPD2393	Clinical (unspecified phase)
0.9375	High Similarity	NPD1512	Approved
0.92	High Similarity	NPD3882	Suspended
0.9195	High Similarity	NPD2801	Approved
0.9155	High Similarity	NPD1549	Phase 2
0.9085	High Similarity	NPD1550	Clinical (unspecified phase)
0.9085	High Similarity	NPD1552	Clinical (unspecified phase)
0.8944	High Similarity	NPD1510	Phase 2
0.891	High Similarity	NPD6166	Phase 2
0.891	High Similarity	NPD6168	Clinical (unspecified phase)
0.891	High Similarity	NPD6167	Clinical (unspecified phase)
0.8824	High Similarity	NPD4868	Clinical (unspecified phase)
0.8797	High Similarity	NPD3818	Discontinued
0.8758	High Similarity	NPD3817	Phase 2
0.8742	High Similarity	NPD4380	Phase 2
0.8742	High Similarity	NPD7054	Approved
0.8688	High Similarity	NPD7074	Phase 3
0.8688	High Similarity	NPD7472	Approved
0.8662	High Similarity	NPD943	Approved
0.8662	High Similarity	NPD1240	Approved
0.8658	High Similarity	NPD4378	Clinical (unspecified phase)
0.8645	High Similarity	NPD7075	Discontinued
0.8645	High Similarity	NPD4381	Clinical (unspecified phase)
0.8634	High Similarity	NPD6797	Phase 2
0.8621	High Similarity	NPD2796	Approved
0.8591	High Similarity	NPD6799	Approved
0.858	High Similarity	NPD7251	Discontinued
0.8571	High Similarity	NPD7819	Suspended
0.8571	High Similarity	NPD7096	Clinical (unspecified phase)
0.8542	High Similarity	NPD1607	Approved
0.8528	High Similarity	NPD4338	Clinical (unspecified phase)
0.8442	Intermediate Similarity	NPD7411	Suspended
0.8418	Intermediate Similarity	NPD5494	Approved
0.8415	Intermediate Similarity	NPD7808	Phase 3
0.8411	Intermediate Similarity	NPD7410	Clinical (unspecified phase)
0.8397	Intermediate Similarity	NPD8443	Clinical (unspecified phase)
0.8367	Intermediate Similarity	NPD1551	Phase 2
0.8333	Intermediate Similarity	NPD1465	Phase 2
0.8293	Intermediate Similarity	NPD7993	Clinical (unspecified phase)
0.8276	Intermediate Similarity	NPD1613	Approved
0.8276	Intermediate Similarity	NPD1612	Clinical (unspecified phase)
0.8269	Intermediate Similarity	NPD6801	Discontinued
0.8267	Intermediate Similarity	NPD3750	Approved
0.8258	Intermediate Similarity	NPD6599	Discontinued
0.8255	Intermediate Similarity	NPD970	Clinical (unspecified phase)
0.8252	Intermediate Similarity	NPD1529	Clinical (unspecified phase)
0.8219	Intermediate Similarity	NPD230	Phase 1
0.8182	Intermediate Similarity	NPD5403	Approved
0.8182	Intermediate Similarity	NPD1530	Clinical (unspecified phase)
0.8176	Intermediate Similarity	NPD3749	Approved
0.817	Intermediate Similarity	NPD5401	Approved
0.8165	Intermediate Similarity	NPD5402	Approved
0.8137	Intermediate Similarity	NPD6959	Discontinued
0.8098	Intermediate Similarity	NPD7852	Clinical (unspecified phase)
0.8086	Intermediate Similarity	NPD6232	Discontinued
0.8061	Intermediate Similarity	NPD5844	Phase 1
0.8061	Intermediate Similarity	NPD7804	Clinical (unspecified phase)
0.8054	Intermediate Similarity	NPD651	Clinical (unspecified phase)
0.8049	Intermediate Similarity	NPD7473	Discontinued
0.8024	Intermediate Similarity	NPD6559	Discontinued
0.8014	Intermediate Similarity	NPD6859	Clinical (unspecified phase)
0.8012	Intermediate Similarity	NPD919	Approved
0.8	Intermediate Similarity	NPD7768	Phase 2
0.7961	Intermediate Similarity	NPD7421	Clinical (unspecified phase)
0.7933	Intermediate Similarity	NPD3748	Approved
0.7927	Intermediate Similarity	NPD3926	Phase 2
0.7917	Intermediate Similarity	NPD1203	Approved
0.7914	Intermediate Similarity	NPD1247	Approved
0.7908	Intermediate Similarity	NPD1878	Clinical (unspecified phase)
0.7887	Intermediate Similarity	NPD1547	Clinical (unspecified phase)
0.7881	Intermediate Similarity	NPD2935	Discontinued
0.7852	Intermediate Similarity	NPD447	Suspended
0.7852	Intermediate Similarity	NPD1933	Approved
0.7843	Intermediate Similarity	NPD2800	Approved
0.7834	Intermediate Similarity	NPD6980	Clinical (unspecified phase)
0.7829	Intermediate Similarity	NPD2344	Approved
0.7808	Intermediate Similarity	NPD9494	Approved
0.7806	Intermediate Similarity	NPD643	Clinical (unspecified phase)
0.7792	Intermediate Similarity	NPD4628	Phase 3
0.7784	Intermediate Similarity	NPD3751	Discontinued
0.7763	Intermediate Similarity	NPD6099	Approved
0.7763	Intermediate Similarity	NPD6100	Approved
0.7762	Intermediate Similarity	NPD1610	Phase 2
0.773	Intermediate Similarity	NPD1548	Phase 1
0.7727	Intermediate Similarity	NPD1243	Approved
0.7722	Intermediate Similarity	NPD920	Approved
0.7707	Intermediate Similarity	NPD642	Clinical (unspecified phase)
0.7707	Intermediate Similarity	NPD2533	Approved
0.7707	Intermediate Similarity	NPD2534	Approved
0.7707	Intermediate Similarity	NPD2532	Approved
0.7703	Intermediate Similarity	NPD3027	Phase 3
0.7697	Intermediate Similarity	NPD1509	Clinical (unspecified phase)
0.7673	Intermediate Similarity	NPD1653	Approved
0.7655	Intermediate Similarity	NPD4379	Clinical (unspecified phase)
0.7651	Intermediate Similarity	NPD2313	Discontinued
0.7647	Intermediate Similarity	NPD5953	Discontinued
0.7635	Intermediate Similarity	NPD4908	Phase 1
0.7635	Intermediate Similarity	NPD6832	Phase 2
0.7628	Intermediate Similarity	NPD2309	Approved
0.7628	Intermediate Similarity	NPD6190	Approved
0.7625	Intermediate Similarity	NPD3226	Approved
0.7616	Intermediate Similarity	NPD1899	Clinical (unspecified phase)
0.7611	Intermediate Similarity	NPD7501	Clinical (unspecified phase)
0.7597	Intermediate Similarity	NPD2346	Discontinued
0.759	Intermediate Similarity	NPD7199	Phase 2
0.7586	Intermediate Similarity	NPD9269	Phase 2
0.7586	Intermediate Similarity	NPD9717	Approved
0.7582	Intermediate Similarity	NPD2799	Discontinued
0.7566	Intermediate Similarity	NPD6651	Approved
0.7564	Intermediate Similarity	NPD6398	Clinical (unspecified phase)
0.7558	Intermediate Similarity	NPD4419	Clinical (unspecified phase)
0.7545	Intermediate Similarity	NPD3787	Discontinued
0.7533	Intermediate Similarity	NPD4907	Clinical (unspecified phase)
0.7532	Intermediate Similarity	NPD6143	Clinical (unspecified phase)
0.7529	Intermediate Similarity	NPD7286	Phase 2
0.75	Intermediate Similarity	NPD7184	Clinical (unspecified phase)
0.7484	Intermediate Similarity	NPD7004	Clinical (unspecified phase)
0.7417	Intermediate Similarity	NPD411	Approved
0.7401	Intermediate Similarity	NPD8397	Clinical (unspecified phase)
0.7397	Intermediate Similarity	NPD422	Phase 1
0.7383	Intermediate Similarity	NPD2798	Approved
0.7365	Intermediate Similarity	NPD6234	Discontinued
0.7365	Intermediate Similarity	NPD3225	Approved
0.7361	Intermediate Similarity	NPD9545	Approved
0.7355	Intermediate Similarity	NPD7033	Discontinued
0.7355	Intermediate Similarity	NPD4308	Phase 3
0.7347	Intermediate Similarity	NPD1608	Approved
0.733	Intermediate Similarity	NPD8055	Clinical (unspecified phase)
0.7318	Intermediate Similarity	NPD7879	Clinical (unspecified phase)
0.7315	Intermediate Similarity	NPD1470	Approved
0.7314	Intermediate Similarity	NPD8312	Approved
0.7314	Intermediate Similarity	NPD8313	Approved
0.7312	Intermediate Similarity	NPD7390	Discontinued
0.731	Intermediate Similarity	NPD9268	Approved
0.7303	Intermediate Similarity	NPD3268	Approved
0.7301	Intermediate Similarity	NPD5808	Clinical (unspecified phase)
0.7299	Intermediate Similarity	NPD7685	Pre-registration
0.7289	Intermediate Similarity	NPD4288	Approved
0.7279	Intermediate Similarity	NPD1201	Approved
0.7278	Intermediate Similarity	NPD2654	Approved
0.7273	Intermediate Similarity	NPD6844	Discontinued
0.7254	Intermediate Similarity	NPD1241	Discontinued
0.7253	Intermediate Similarity	NPD8090	Clinical (unspecified phase)
0.7238	Intermediate Similarity	NPD4360	Phase 2
0.7238	Intermediate Similarity	NPD4363	Phase 3
0.7237	Intermediate Similarity	NPD4625	Phase 3
0.7235	Intermediate Similarity	NPD5710	Approved
0.7235	Intermediate Similarity	NPD5711	Approved
0.7222	Intermediate Similarity	NPD9493	Approved
0.7219	Intermediate Similarity	NPD2861	Phase 2
0.7207	Intermediate Similarity	NPD4287	Approved
0.72	Intermediate Similarity	NPD2797	Approved
0.7193	Intermediate Similarity	NPD5242	Approved
0.719	Intermediate Similarity	NPD3764	Approved
0.719	Intermediate Similarity	NPD6798	Discontinued
0.7186	Intermediate Similarity	NPD5353	Approved
0.7181	Intermediate Similarity	NPD4749	Approved
0.7172	Intermediate Similarity	NPD5536	Phase 2
0.7169	Intermediate Similarity	NPD37	Approved
0.7168	Intermediate Similarity	NPD7228	Approved
0.716	Intermediate Similarity	NPD7422	Clinical (unspecified phase)
0.7152	Intermediate Similarity	NPD7266	Discontinued
0.7152	Intermediate Similarity	NPD1019	Discontinued
0.7143	Intermediate Similarity	NPD17	Approved
0.7143	Intermediate Similarity	NPD4966	Approved
0.7143	Intermediate Similarity	NPD5019	Clinical (unspecified phase)
0.7143	Intermediate Similarity	NPD4965	Approved
0.7143	Intermediate Similarity	NPD4967	Phase 2
0.7114	Intermediate Similarity	NPD3972	Approved
0.7108	Intermediate Similarity	NPD7615	Clinical (unspecified phase)
0.7108	Intermediate Similarity	NPD6386	Approved
0.7108	Intermediate Similarity	NPD6385	Approved
0.7105	Intermediate Similarity	NPD3018	Phase 2
0.7104	Intermediate Similarity	NPD4361	Phase 2
0.7104	Intermediate Similarity	NPD4362	Clinical (unspecified phase)
0.7102	Intermediate Similarity	NPD6104	Discontinued
0.7101	Intermediate Similarity	NPD6971	Discontinued
0.7099	Intermediate Similarity	NPD4357	Discontinued
0.7097	Intermediate Similarity	NPD4307	Phase 2
0.7095	Intermediate Similarity	NPD8434	Phase 2
0.7091	Intermediate Similarity	NPD7458	Discontinued
0.709	Intermediate Similarity	NPD7584	Approved
0.7089	Intermediate Similarity	NPD5405	Approved
0.7089	Intermediate Similarity	NPD5404	Approved
0.7089	Intermediate Similarity	NPD5408	Approved
0.7089	Intermediate Similarity	NPD5406	Approved
0.7086	Intermediate Similarity	NPD1729	Discontinued
0.7086	Intermediate Similarity	NPD3266	Approved
0.7086	Intermediate Similarity	NPD3267	Approved
0.7083	Intermediate Similarity	NPD2296	Approved
0.7081	Intermediate Similarity	NPD2354	Approved
0.7078	Intermediate Similarity	NPD6410	Clinical (unspecified phase)
0.7078	Intermediate Similarity	NPD1296	Phase 2
0.7063	Intermediate Similarity	NPD1652	Phase 2
0.7055	Intermediate Similarity	NPD4661	Approved
0.7055	Intermediate Similarity	NPD4662	Approved
0.7052	Intermediate Similarity	NPD7784	Clinical (unspecified phase)
0.7051	Intermediate Similarity	NPD5124	Phase 1

Structure

CID95864 OpenBabel06191715432D 21 23 0 0 0 0 0 0 0 0999 V2000 2.5981 -0.5000 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 -1.7321 -2.0000 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 1.7321 -2.0000 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 -1.7321 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 -0.5000 0.0000 C 0 0 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 -2.5981 -0.5000 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 4.3301 -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 -0.8660 -0.5000 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 -3.4641 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1962 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1962 -2.0000 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 0.0000 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 1 9 1 0 0 0 0 2 3 2 0 0 0 0 2 11 1 0 0 0 0 3 12 1 0 0 0 0 4 13 1 0 0 0 0 5 9 1 0 0 0 0 5 10 2 0 0 0 0 6 9 2 0 0 0 0 6 14 1 0 0 0 0 7 11 2 0 0 0 0 7 15 1 0 0 0 0 8 10 1 0 0 0 0 8 21 1 0 0 0 0 10 16 1 0 0 0 0 11 17 1 0 0 0 0 12 15 2 0 0 0 0 12 16 1 0 0 0 0 13 14 2 0 0 0 0 13 18 1 0 0 0 0 14 19 1 0 0 0 0 15 21 1 0 0 0 0 16 20 2 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	9817274
ChEMBL	CHEMBL249002
ZINC

Physicochemical Properties

Molecular Weight:	284.07
ALogP:	-1.515
MLogP:	2.67
XLogP:	1.752
# Rotatable Bonds:	4
Polar Surface Area:	86.99
# H-Bond Aceptor:	1
# H-Bond Donor:	3
# Rings:	3
# Heavy Atoms:	21

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