NPASS Natural Product

Natural Product: NPC237994

Natural Product ID:	NPC237994
Common Name:	(E)-1-[2,4-Dihydroxy-3-(3-Methylbut-2-Enyl)Phenyl]-3-(8-Hydroxy-2,2-Dimethylchromen-6-Yl)Prop-2-En-1-One
IUPAC Name:	(E)-1-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]-3-(8-hydroxy-2,2-dimethylchromen-6-yl)prop-2-en-1-one
Synonyms:
Molecular Formula:	C25H26O5
Standard InCHIKey:	DYPJOHFWCNIBKZ-RMKNXTFCSA-N
Standard InCHI:	InChI=1S/C25H26O5/c1-15(2)5-7-18-21(27)10-8-19(23(18)29)20(26)9-6-16-13-17-11-12-25(3,4)30-24(17)22(28)14-16/h5-6,8-14,27-29H,7H2,1-4H3/b9-6+
Canonical SMILES:	CC(=CCc1c(O)ccc(c1O)C(=O)/C=C/c1cc(O)c2c(c1)C=CC(O2)(C)C)C
First Find Year:
Max Developmental Stage:
Synthetic Gene Cluster:	;

Species Source

Organism ID	Organism Name	Taxonomy Level	Family	SuperKingdom	Reference
NPO1698	Glycyrrhiza inflata	Species	Fabaceae	Eukaryota	TCM_Taiwan*
NPO29384	Glycyrrhiza glabra	Species	Fabaceae	Eukaryota	TCM_Taiwan*
NPO31500	Clycyrrhiza glabra	NA	NA	NA	TCM_Taiwan*
NPO7154	Glycyrrhiza uralensis	Species	Fabaceae	Eukaryota	TCM_Taiwan*
NPO7154	Glycyrrhiza uralensis	Species	Fabaceae	Eukaryota	UNPD*
NPO10026	Mitracarpus scaber	Species	Rubiaceae	Eukaryota	UNPD*
NPO7786	Lentinus tigrinus	Species	Lentinaceae	Eukaryota	UNPD*

Biological Activity

Activity Type	# Activity
IC50	2
MIC	1
Others	3

Activity Type	# Activity
Cell Line	1
Individual Protein	2
Organism	3

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT790	Organism	Mycobacterium tuberculosis H37Rv	Mycobacterium tuberculosis H37Rv	MIC	=	30	ug/ml	22280816
NPT616	Cell Line	MDCK	Canis lupus familiaris	CC50	=	135000	nM	24313801
NPT742	Organism	Influenza A virus	Influenza A virus	Inhibition	=	48.1	%	24313801
NPT742	Organism	Influenza A virus	Influenza A virus	Inhibition	=	29.7	%	24313801
NPT493	Individual Protein	Neuraminidase	Influenza A virus	IC50	=	1310	nM	24313801
NPT493	Individual Protein	Neuraminidase	Influenza A virus	IC50	=	250	nM	24313801

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 NPC237994 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	312
0.1-0.2	1282
0.2-0.3	2697
0.3-0.4	6739
0.4-0.5	6158
0.5-0.6	2346
0.6-0.7	3554
0.7-0.8	4245
0.8-0.85	1729
0.85-0.9	1209
0.9-0.95	578
0.95-1	40

Similarity Score	Similarity Level	Natural Product ID
0.9864	High Similarity	NPC234255
0.9864	High Similarity	NPC472280
0.9797	High Similarity	NPC472455
0.9795	High Similarity	NPC154345
0.9732	High Similarity	NPC218313
0.9732	High Similarity	NPC474681
0.9667	High Similarity	NPC184755
0.9667	High Similarity	NPC204879
0.9667	High Similarity	NPC74178
0.9664	High Similarity	NPC133970
0.9664	High Similarity	NPC5322
0.9664	High Similarity	NPC6633
0.9664	High Similarity	NPC471985
0.9662	High Similarity	NPC49402
0.9662	High Similarity	NPC227337
0.9662	High Similarity	NPC273462
0.9662	High Similarity	NPC70433
0.9662	High Similarity	NPC33051
0.9603	High Similarity	NPC476980
0.96	High Similarity	NPC52889
0.9597	High Similarity	NPC152951
0.9597	High Similarity	NPC230149
0.9597	High Similarity	NPC168247
0.9597	High Similarity	NPC117992
0.9597	High Similarity	NPC256925
0.9597	High Similarity	NPC57674
0.9597	High Similarity	NPC200246
0.9595	High Similarity	NPC471982
0.9592	High Similarity	NPC88804
0.9592	High Similarity	NPC3825
0.9539	High Similarity	NPC234644
0.9539	High Similarity	NPC29876
0.9539	High Similarity	NPC167678
0.9539	High Similarity	NPC259456
0.9533	High Similarity	NPC282307
0.9533	High Similarity	NPC470600
0.9533	High Similarity	NPC170026
0.953	High Similarity	NPC170492
0.953	High Similarity	NPC472905
0.9527	High Similarity	NPC256406
0.9477	High Similarity	NPC83922
0.9477	High Similarity	NPC472448
0.9474	High Similarity	NPC328102
0.9474	High Similarity	NPC188433
0.9474	High Similarity	NPC192686
0.9474	High Similarity	NPC119209
0.9474	High Similarity	NPC471973
0.9474	High Similarity	NPC118256
0.9474	High Similarity	NPC204290
0.947	High Similarity	NPC136674
0.947	High Similarity	NPC476981
0.947	High Similarity	NPC27337
0.947	High Similarity	NPC161960
0.947	High Similarity	NPC291508
0.947	High Similarity	NPC304008
0.947	High Similarity	NPC187745
0.9463	High Similarity	NPC37684
0.9463	High Similarity	NPC39732
0.9463	High Similarity	NPC60972
0.9463	High Similarity	NPC63187
0.9463	High Similarity	NPC157784
0.9412	High Similarity	NPC474038
0.9412	High Similarity	NPC258331
0.9412	High Similarity	NPC57715
0.9404	High Similarity	NPC191146
0.9404	High Similarity	NPC68093
0.9404	High Similarity	NPC291878
0.9404	High Similarity	NPC115853
0.9404	High Similarity	NPC472907
0.9404	High Similarity	NPC35038
0.9404	High Similarity	NPC278778
0.9404	High Similarity	NPC276444
0.9404	High Similarity	NPC138243
0.9404	High Similarity	NPC195796
0.9396	High Similarity	NPC59162
0.9396	High Similarity	NPC205046
0.9396	High Similarity	NPC304295
0.9392	High Similarity	NPC48479
0.9392	High Similarity	NPC183950
0.9392	High Similarity	NPC177298
0.9392	High Similarity	NPC52005
0.9392	High Similarity	NPC287101
0.9392	High Similarity	NPC137062
0.9392	High Similarity	NPC38545
0.9392	High Similarity	NPC171916
0.9392	High Similarity	NPC223579
0.9388	High Similarity	NPC168803
0.9355	High Similarity	NPC303174
0.9351	High Similarity	NPC474162
0.9351	High Similarity	NPC474034
0.9351	High Similarity	NPC474033
0.9351	High Similarity	NPC474150
0.9351	High Similarity	NPC261470
0.9351	High Similarity	NPC78332
0.9346	High Similarity	NPC474960
0.9346	High Similarity	NPC28241
0.9346	High Similarity	NPC472624
0.9346	High Similarity	NPC475784
0.9342	High Similarity	NPC180011
0.9342	High Similarity	NPC472963
0.9342	High Similarity	NPC67876
0.9342	High Similarity	NPC472598
0.9342	High Similarity	NPC219867
0.9342	High Similarity	NPC284820
0.9342	High Similarity	NPC218871
0.9342	High Similarity	NPC78225
0.9342	High Similarity	NPC476630
0.9342	High Similarity	NPC78071
0.9342	High Similarity	NPC237418
0.9342	High Similarity	NPC262286
0.9342	High Similarity	NPC474055
0.9342	High Similarity	NPC473272
0.9342	High Similarity	NPC36852
0.9338	High Similarity	NPC477503
0.9338	High Similarity	NPC133392
0.9338	High Similarity	NPC470327
0.9338	High Similarity	NPC45849
0.9338	High Similarity	NPC200761
0.9338	High Similarity	NPC20830
0.9338	High Similarity	NPC256612
0.9333	High Similarity	NPC477231
0.9333	High Similarity	NPC55205
0.9333	High Similarity	NPC472912
0.9333	High Similarity	NPC257648
0.9333	High Similarity	NPC249570
0.9329	High Similarity	NPC472279
0.9329	High Similarity	NPC29231
0.9324	High Similarity	NPC80710
0.9324	High Similarity	NPC139364
0.9324	High Similarity	NPC272721
0.9324	High Similarity	NPC43669
0.9324	High Similarity	NPC254702
0.9324	High Similarity	NPC166036
0.9324	High Similarity	NPC203077
0.9324	High Similarity	NPC195202
0.9324	High Similarity	NPC196277
0.9324	High Similarity	NPC238279
0.9324	High Similarity	NPC120464
0.9324	High Similarity	NPC203747
0.9324	High Similarity	NPC194653
0.929	High Similarity	NPC23298
0.929	High Similarity	NPC306321
0.929	High Similarity	NPC303460
0.929	High Similarity	NPC189473
0.929	High Similarity	NPC186686
0.929	High Similarity	NPC124038
0.929	High Similarity	NPC472625
0.9286	High Similarity	NPC94155
0.9286	High Similarity	NPC472906
0.9286	High Similarity	NPC134783
0.9286	High Similarity	NPC472632
0.9286	High Similarity	NPC472634
0.9286	High Similarity	NPC26326
0.9286	High Similarity	NPC471210
0.9281	High Similarity	NPC235448
0.9281	High Similarity	NPC187792
0.9276	High Similarity	NPC470328
0.9276	High Similarity	NPC209614
0.9276	High Similarity	NPC265511
0.9276	High Similarity	NPC472626
0.9276	High Similarity	NPC3980
0.9272	High Similarity	NPC179126
0.9272	High Similarity	NPC213896
0.9272	High Similarity	NPC274327
0.9272	High Similarity	NPC475895
0.9272	High Similarity	NPC236223
0.9272	High Similarity	NPC189130
0.9272	High Similarity	NPC469550
0.9272	High Similarity	NPC145379
0.9272	High Similarity	NPC270620
0.9272	High Similarity	NPC192083
0.9272	High Similarity	NPC78326
0.9272	High Similarity	NPC183878
0.9272	High Similarity	NPC74924
0.9272	High Similarity	NPC22519
0.9272	High Similarity	NPC160951
0.9272	High Similarity	NPC176775
0.9272	High Similarity	NPC255350
0.9272	High Similarity	NPC69394
0.9272	High Similarity	NPC476631
0.9272	High Similarity	NPC47781
0.9272	High Similarity	NPC231018
0.9272	High Similarity	NPC18727
0.9267	High Similarity	NPC252933
0.9267	High Similarity	NPC200740
0.9267	High Similarity	NPC54394
0.9267	High Similarity	NPC308451
0.9267	High Similarity	NPC31363
0.9267	High Similarity	NPC125062
0.9262	High Similarity	NPC264289
0.9262	High Similarity	NPC200060
0.9262	High Similarity	NPC333691
0.9262	High Similarity	NPC142876
0.9262	High Similarity	NPC40290
0.9262	High Similarity	NPC264550
0.9262	High Similarity	NPC139293
0.9262	High Similarity	NPC69430
0.9262	High Similarity	NPC195763
0.9257	High Similarity	NPC12200
0.9257	High Similarity	NPC108406

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC237994 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	340
0.1-0.2	916
0.2-0.3	1526
0.3-0.4	2584
0.4-0.5	1960
0.5-0.6	1093
0.6-0.7	528
0.7-0.8	162
0.8-0.85	31
0.85-0.9	15
0.9-0.95	6
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.9272	High Similarity	NPD2801	Approved
0.9272	High Similarity	NPD2393	Clinical (unspecified phase)
0.9205	High Similarity	NPD1934	Approved
0.9184	High Similarity	NPD1511	Approved
0.906	High Similarity	NPD1512	Approved
0.9026	High Similarity	NPD3882	Suspended
0.8867	High Similarity	NPD4378	Clinical (unspecified phase)
0.8867	High Similarity	NPD7410	Clinical (unspecified phase)
0.8758	High Similarity	NPD3818	Discontinued
0.875	High Similarity	NPD6168	Clinical (unspecified phase)
0.875	High Similarity	NPD6167	Clinical (unspecified phase)
0.875	High Similarity	NPD6166	Phase 2
0.8718	High Similarity	NPD3817	Phase 2
0.8701	High Similarity	NPD4380	Phase 2
0.8608	High Similarity	NPD7075	Discontinued
0.8589	High Similarity	NPD7054	Approved
0.8537	High Similarity	NPD7472	Approved
0.8537	High Similarity	NPD7074	Phase 3
0.8535	High Similarity	NPD7096	Clinical (unspecified phase)
0.8514	High Similarity	NPD1510	Phase 2
0.85	High Similarity	NPD5494	Approved
0.8493	Intermediate Similarity	NPD943	Approved
0.8471	Intermediate Similarity	NPD6801	Discontinued
0.8467	Intermediate Similarity	NPD1549	Phase 2
0.8456	Intermediate Similarity	NPD2796	Approved
0.8428	Intermediate Similarity	NPD4868	Clinical (unspecified phase)
0.8418	Intermediate Similarity	NPD7819	Suspended
0.84	Intermediate Similarity	NPD1550	Clinical (unspecified phase)
0.84	Intermediate Similarity	NPD1552	Clinical (unspecified phase)
0.8395	Intermediate Similarity	NPD6232	Discontinued
0.8375	Intermediate Similarity	NPD4381	Clinical (unspecified phase)
0.8373	Intermediate Similarity	NPD6797	Phase 2
0.8367	Intermediate Similarity	NPD1240	Approved
0.8354	Intermediate Similarity	NPD7473	Discontinued
0.8323	Intermediate Similarity	NPD7251	Discontinued
0.8312	Intermediate Similarity	NPD6799	Approved
0.8291	Intermediate Similarity	NPD7411	Suspended
0.8274	Intermediate Similarity	NPD4338	Clinical (unspecified phase)
0.8274	Intermediate Similarity	NPD7808	Phase 3
0.8255	Intermediate Similarity	NPD1607	Approved
0.825	Intermediate Similarity	NPD8443	Clinical (unspecified phase)
0.821	Intermediate Similarity	NPD919	Approved
0.8187	Intermediate Similarity	NPD1465	Phase 2
0.8144	Intermediate Similarity	NPD7804	Clinical (unspecified phase)
0.8144	Intermediate Similarity	NPD5844	Phase 1
0.8117	Intermediate Similarity	NPD3750	Approved
0.8113	Intermediate Similarity	NPD6599	Discontinued
0.811	Intermediate Similarity	NPD1247	Approved
0.8092	Intermediate Similarity	NPD2935	Discontinued
0.8012	Intermediate Similarity	NPD3926	Phase 2
0.8	Intermediate Similarity	NPD6559	Discontinued
0.8	Intermediate Similarity	NPD6959	Discontinued
0.7987	Intermediate Similarity	NPD970	Clinical (unspecified phase)
0.7975	Intermediate Similarity	NPD7768	Phase 2
0.7973	Intermediate Similarity	NPD1529	Clinical (unspecified phase)
0.7964	Intermediate Similarity	NPD7852	Clinical (unspecified phase)
0.7947	Intermediate Similarity	NPD447	Suspended
0.7941	Intermediate Similarity	NPD7993	Clinical (unspecified phase)
0.7935	Intermediate Similarity	NPD7421	Clinical (unspecified phase)
0.7935	Intermediate Similarity	NPD2800	Approved
0.7935	Intermediate Similarity	NPD1243	Approved
0.7927	Intermediate Similarity	NPD3749	Approved
0.7925	Intermediate Similarity	NPD6980	Clinical (unspecified phase)
0.7925	Intermediate Similarity	NPD5403	Approved
0.7914	Intermediate Similarity	NPD5402	Approved
0.7908	Intermediate Similarity	NPD2799	Discontinued
0.7908	Intermediate Similarity	NPD1509	Clinical (unspecified phase)
0.7905	Intermediate Similarity	NPD1530	Clinical (unspecified phase)
0.7867	Intermediate Similarity	NPD2313	Discontinued
0.7806	Intermediate Similarity	NPD2344	Approved
0.7799	Intermediate Similarity	NPD5401	Approved
0.7792	Intermediate Similarity	NPD3748	Approved
0.7792	Intermediate Similarity	NPD651	Clinical (unspecified phase)
0.779	Intermediate Similarity	NPD7501	Clinical (unspecified phase)
0.7763	Intermediate Similarity	NPD1613	Approved
0.7763	Intermediate Similarity	NPD1612	Clinical (unspecified phase)
0.7755	Intermediate Similarity	NPD4379	Clinical (unspecified phase)
0.7742	Intermediate Similarity	NPD1551	Phase 2
0.7742	Intermediate Similarity	NPD6100	Approved
0.7742	Intermediate Similarity	NPD6099	Approved
0.7716	Intermediate Similarity	NPD3226	Approved
0.7712	Intermediate Similarity	NPD230	Phase 1
0.7712	Intermediate Similarity	NPD1933	Approved
0.7702	Intermediate Similarity	NPD920	Approved
0.7692	Intermediate Similarity	NPD2346	Discontinued
0.7688	Intermediate Similarity	NPD2534	Approved
0.7688	Intermediate Similarity	NPD2532	Approved
0.7688	Intermediate Similarity	NPD2533	Approved
0.7682	Intermediate Similarity	NPD3027	Phase 3
0.7673	Intermediate Similarity	NPD643	Clinical (unspecified phase)
0.7667	Intermediate Similarity	NPD9494	Approved
0.7662	Intermediate Similarity	NPD6651	Approved
0.7658	Intermediate Similarity	NPD6398	Clinical (unspecified phase)
0.7658	Intermediate Similarity	NPD4628	Phase 3
0.7651	Intermediate Similarity	NPD1203	Approved
0.7644	Intermediate Similarity	NPD4419	Clinical (unspecified phase)
0.7632	Intermediate Similarity	NPD6859	Clinical (unspecified phase)
0.763	Intermediate Similarity	NPD5953	Discontinued
0.7625	Intermediate Similarity	NPD6143	Clinical (unspecified phase)
0.7625	Intermediate Similarity	NPD7390	Discontinued
0.761	Intermediate Similarity	NPD2309	Approved
0.76	Intermediate Similarity	NPD2798	Approved
0.7584	Intermediate Similarity	NPD8397	Clinical (unspecified phase)
0.7578	Intermediate Similarity	NPD642	Clinical (unspecified phase)
0.7574	Intermediate Similarity	NPD7199	Phase 2
0.7564	Intermediate Similarity	NPD4308	Phase 3
0.7547	Intermediate Similarity	NPD1878	Clinical (unspecified phase)
0.7516	Intermediate Similarity	NPD3268	Approved
0.7514	Intermediate Similarity	NPD7286	Phase 2
0.7485	Intermediate Similarity	NPD7184	Clinical (unspecified phase)
0.7456	Intermediate Similarity	NPD6234	Discontinued
0.7451	Intermediate Similarity	NPD4625	Phase 3
0.745	Intermediate Similarity	NPD9717	Approved
0.7439	Intermediate Similarity	NPD1653	Approved
0.7432	Intermediate Similarity	NPD8090	Clinical (unspecified phase)
0.7417	Intermediate Similarity	NPD2797	Approved
0.7416	Intermediate Similarity	NPD8055	Clinical (unspecified phase)
0.7403	Intermediate Similarity	NPD4907	Clinical (unspecified phase)
0.7403	Intermediate Similarity	NPD7879	Clinical (unspecified phase)
0.7391	Intermediate Similarity	NPD6190	Approved
0.7386	Intermediate Similarity	NPD6832	Phase 2
0.7383	Intermediate Similarity	NPD1547	Clinical (unspecified phase)
0.7356	Intermediate Similarity	NPD3751	Discontinued
0.7342	Intermediate Similarity	NPD7033	Discontinued
0.7333	Intermediate Similarity	NPD9269	Phase 2
0.7317	Intermediate Similarity	NPD5049	Phase 3
0.7308	Intermediate Similarity	NPD4307	Phase 2
0.7303	Intermediate Similarity	NPD1470	Approved
0.7296	Intermediate Similarity	NPD5404	Approved
0.7296	Intermediate Similarity	NPD5408	Approved
0.7296	Intermediate Similarity	NPD5406	Approved
0.7296	Intermediate Similarity	NPD5405	Approved
0.729	Intermediate Similarity	NPD411	Approved
0.7289	Intermediate Similarity	NPD7458	Discontinued
0.7288	Intermediate Similarity	NPD7685	Pre-registration
0.7284	Intermediate Similarity	NPD2354	Approved
0.7279	Intermediate Similarity	NPD5536	Phase 2
0.7273	Intermediate Similarity	NPD4908	Phase 1
0.7267	Intermediate Similarity	NPD422	Phase 1
0.7267	Intermediate Similarity	NPD1201	Approved
0.7263	Intermediate Similarity	NPD7584	Approved
0.7262	Intermediate Similarity	NPD37	Approved
0.7261	Intermediate Similarity	NPD1899	Clinical (unspecified phase)
0.7256	Intermediate Similarity	NPD7422	Clinical (unspecified phase)
0.7235	Intermediate Similarity	NPD4965	Approved
0.7235	Intermediate Similarity	NPD4967	Phase 2
0.7235	Intermediate Similarity	NPD4966	Approved
0.723	Intermediate Similarity	NPD1548	Phase 1
0.7228	Intermediate Similarity	NPD4363	Phase 3
0.7228	Intermediate Similarity	NPD4360	Phase 2
0.7225	Intermediate Similarity	NPD3787	Discontinued
0.7219	Intermediate Similarity	NPD1608	Approved
0.7207	Intermediate Similarity	NPD8313	Approved
0.7207	Intermediate Similarity	NPD8312	Approved
0.7197	Intermediate Similarity	NPD4060	Phase 1
0.719	Intermediate Similarity	NPD3267	Approved
0.719	Intermediate Similarity	NPD3266	Approved
0.7189	Intermediate Similarity	NPD4362	Clinical (unspecified phase)
0.7189	Intermediate Similarity	NPD4361	Phase 2
0.7186	Intermediate Similarity	NPD5808	Clinical (unspecified phase)
0.7184	Intermediate Similarity	NPD5242	Approved
0.7182	Intermediate Similarity	NPD8434	Phase 2
0.7179	Intermediate Similarity	NPD6798	Discontinued
0.7176	Intermediate Similarity	NPD4288	Approved
0.7171	Intermediate Similarity	NPD4749	Approved
0.7159	Intermediate Similarity	NPD7228	Approved
0.7152	Intermediate Similarity	NPD5124	Phase 1
0.7152	Intermediate Similarity	NPD1610	Phase 2
0.7152	Intermediate Similarity	NPD5123	Clinical (unspecified phase)
0.7143	Intermediate Similarity	NPD1471	Phase 3
0.7143	Intermediate Similarity	NPD6585	Discontinued
0.7128	Intermediate Similarity	NPD6778	Approved
0.7128	Intermediate Similarity	NPD6780	Approved
0.7128	Intermediate Similarity	NPD6776	Approved
0.7128	Intermediate Similarity	NPD6782	Approved
0.7128	Intermediate Similarity	NPD6777	Approved
0.7128	Intermediate Similarity	NPD6779	Approved
0.7128	Intermediate Similarity	NPD6781	Approved
0.7126	Intermediate Similarity	NPD5710	Approved
0.7126	Intermediate Similarity	NPD5711	Approved
0.7124	Intermediate Similarity	NPD3225	Approved
0.7115	Intermediate Similarity	NPD7095	Approved
0.7105	Intermediate Similarity	NPD3972	Approved
0.7099	Intermediate Similarity	NPD2424	Discontinued
0.7097	Intermediate Similarity	NPD3018	Phase 2
0.7091	Intermediate Similarity	NPD4357	Discontinued
0.7088	Intermediate Similarity	NPD8150	Discontinued
0.7079	Intermediate Similarity	NPD1729	Discontinued
0.7078	Intermediate Similarity	NPD1164	Approved
0.7076	Intermediate Similarity	NPD2296	Approved
0.707	Intermediate Similarity	NPD3764	Approved
0.7067	Intermediate Similarity	NPD9268	Approved
0.7059	Intermediate Similarity	NPD6844	Discontinued
0.7055	Intermediate Similarity	NPD2654	Approved
0.7048	Intermediate Similarity	NPD4661	Approved
0.7048	Intermediate Similarity	NPD4662	Approved
0.7048	Intermediate Similarity	NPD7004	Clinical (unspecified phase)
0.7045	Intermediate Similarity	NPD2403	Approved
0.7044	Intermediate Similarity	NPD6355	Discontinued
0.7039	Intermediate Similarity	NPD3823	Discontinued

Structure

CID237994 OpenBabel06191716042D 30 32 0 0 0 0 0 0 0 0999 V2000 -10.3923 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2583 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5000 -1.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5263 1.5000 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 -8.6603 2.0000 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 -4.3301 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 -1.0000 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 -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 -10.3923 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 -1.7321 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7942 1.5000 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 -5.1962 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7942 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 -6.9282 2.0000 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 -0.0000 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1962 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.6603 0.0000 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 -6.9282 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 15 1 0 0 0 0 2 15 1 0 0 0 0 3 25 1 0 0 0 0 4 25 1 0 0 0 0 5 7 1 0 0 0 0 5 15 2 0 0 0 0 6 9 2 0 0 0 0 6 16 1 0 0 0 0 7 18 1 0 0 0 0 8 10 2 0 0 0 0 8 19 1 0 0 0 0 9 20 1 0 0 0 0 10 21 1 0 0 0 0 11 12 2 0 0 0 0 11 17 1 0 0 0 0 12 25 1 0 0 0 0 13 16 2 0 0 0 0 13 17 1 0 0 0 0 14 16 1 0 0 0 0 14 22 2 0 0 0 0 17 24 2 0 0 0 0 18 21 2 0 0 0 0 18 23 1 0 0 0 0 19 20 1 0 0 0 0 19 23 2 0 0 0 0 20 26 2 0 0 0 0 21 27 1 0 0 0 0 22 24 1 0 0 0 0 22 28 1 0 0 0 0 23 29 1 0 0 0 0 24 30 1 0 0 0 0 25 30 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	5316801
ChEMBL	CHEMBL2204386
ZINC

Physicochemical Properties

Molecular Weight:	406.18
ALogP:	1.5016
MLogP:	3.66
XLogP:	4.46
# Rotatable Bonds:	12
Polar Surface Area:	86.99
# H-Bond Aceptor:	1
# H-Bond Donor:	3
# Rings:	3
# Heavy Atoms:	30

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