NPASS Natural Product

Natural Product: NPC93756

Natural Product ID:	NPC93756
Common Name:	Isoeugenitol
IUPAC Name:	5,7-dihydroxy-2,8-dimethylchromen-4-one
Synonyms:
Molecular Formula:	C11H10O4
Standard InCHIKey:	XSSGQRFNGHRFBC-UHFFFAOYSA-N
Standard InCHI:	InChI=1S/C11H10O4/c1-5-3-8(13)10-9(14)4-7(12)6(2)11(10)15-5/h3-4,12,14H,1-2H3
Canonical SMILES:	Cc1cc(=O)c2c(o1)c(C)c(cc2O)O
First Find Year:
Max Developmental Stage:
Synthetic Gene Cluster:	;

Species Source

Organism ID	Organism Name	Taxonomy Level	Family	SuperKingdom	Reference
NPO2395	Siphonaria australis	Species	Siphonariidae	Eukaryota	UNPD*
NPO9718	Cyphelium chrysocephalum	Species	Caliciaceae	Eukaryota	UNPD*
NPO1934	Strychnos triplinervia	Species	Loganiaceae	Eukaryota	UNPD*
NPO1032	Piper attenuatum	Species	Piperaceae	Eukaryota	UNPD*
NPO9456	Rubus sanctus	Species	Rosaceae	Eukaryota	UNPD*
NPO3987	Syzygium aromaticum	Species	Myrtaceae	Eukaryota	UNPD*
NPO7383	Puccinia lagenophorae	Species	Pucciniaceae	Eukaryota	UNPD*
NPO173	Aconitum sajanense	Species	Ranunculaceae	Eukaryota	UNPD*
NPO6041	Lithocolletis coryli	NA	NA	NA	UNPD*
NPO5834	Pellicularia sasakii	NA	NA	NA	UNPD*
NPO7626	Damnacanthus major	Species	Rubiaceae	Eukaryota	UNPD*
NPO4504	Cassia jahnii	Species	Fabaceae	Eukaryota	UNPD*
NPO6783	Avrainvillea rawsonii	Species	Udoteaceae	Eukaryota	UNPD*
NPO6072	Andinobates bombetes	Species	Dendrobatidae	Eukaryota	UNPD*
NPO577	Lactifluus subvellereus	Species	Russulaceae	Eukaryota	UNPD*
NPO15735	Galeocerdo arcticus	Species	Carcharhinidae	Eukaryota	UNPD*
NPO1456	Bersama abyssinica	Species	Melianthaceae	Eukaryota	UNPD*
NPO12409	Artemisia jacutica	Species	Asteraceae	Eukaryota	UNPD*
NPO30949	Eugenia caryopyhllata	Species	Myrtaceae	Eukaryota	TCM_Taiwan*
NPO3987	Syzygium aromaticum	Species	Myrtaceae	Eukaryota	TCMID*
NPO7103	Allium sativum	Species	Amaryllidaceae	Eukaryota	TCMID*
NPO8622	Stauntonia hexaphylla	Species	Lardizabalaceae	Eukaryota	UNPD*

Biological Activity

Activity Type	# Activity
Others	2
Potency	11

Activity Type	# Activity
Individual Protein	11
Others	2

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT51	Individual Protein	Microtubule-associated protein tau	Homo sapiens	Potency	=	28183.8	nM	PubChem BioAssay data set
NPT51	Individual Protein	Microtubule-associated protein tau	Homo sapiens	Potency	=	25118.9	nM	PubChem BioAssay data set
NPT51	Individual Protein	Microtubule-associated protein tau	Homo sapiens	Potency	=	35481.3	nM	PubChem BioAssay data set
NPT55	Individual Protein	Putative fructose-1,6-bisphosphate aldolase	Giardia intestinalis	Potency	=	12559.4	nM	PubChem BioAssay data set
NPT539	Individual Protein	Cellular tumor antigen p53	Homo sapiens	Potency	=	31622.8	nM	PubChem BioAssay data set
NPT109	Individual Protein	Cytochrome P450 3A4	Homo sapiens	Potency	=	25118.9	nM	PubChem BioAssay data set
NPT198	Individual Protein	Vitamin D receptor	Homo sapiens	Potency		56234.1	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency		20596.2	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency		23109.3	nM	PubChem BioAssay data set
NPT72	Individual Protein	Solute carrier organic anion transporter family member 1B3	Homo sapiens	Inhibition	=	101.01	%	23571415
NPT73	Individual Protein	Solute carrier organic anion transporter family member 1B1	Homo sapiens	Inhibition	=	129.16	%	23571415
NPT49	Individual Protein	DNA-(apurinic or apyrimidinic site) lyase	Homo sapiens	Potency		39810.7	nM	PubChem BioAssay data set

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 NPC93756 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	253
0.1-0.2	1292
0.2-0.3	2925
0.3-0.4	7321
0.4-0.5	5680
0.5-0.6	2780
0.6-0.7	4637
0.7-0.8	3360
0.8-0.85	1421
0.85-0.9	764
0.9-0.95	428
0.95-1	28

Similarity Score	Similarity Level	Natural Product ID
1.0	High Similarity	NPC108113
0.9922	High Similarity	NPC125920
0.9845	High Similarity	NPC60667
0.9769	High Similarity	NPC174999
0.9764	High Similarity	NPC270369
0.9764	High Similarity	NPC5515
0.9692	High Similarity	NPC151113
0.9688	High Similarity	NPC31872
0.9688	High Similarity	NPC473584
0.9688	High Similarity	NPC475589
0.9621	High Similarity	NPC470668
0.9621	High Similarity	NPC470669
0.9621	High Similarity	NPC201395
0.9621	High Similarity	NPC131130
0.9612	High Similarity	NPC25937
0.9612	High Similarity	NPC10971
0.9549	High Similarity	NPC216978
0.9549	High Similarity	NPC471697
0.9549	High Similarity	NPC301217
0.9549	High Similarity	NPC220062
0.9549	High Similarity	NPC303633
0.9549	High Similarity	NPC18260
0.9549	High Similarity	NPC78913
0.9549	High Similarity	NPC139554
0.9549	High Similarity	NPC96565
0.9549	High Similarity	NPC55018
0.9549	High Similarity	NPC23257
0.9538	High Similarity	NPC223457
0.9478	High Similarity	NPC159275
0.9478	High Similarity	NPC471587
0.9478	High Similarity	NPC261227
0.9478	High Similarity	NPC241100
0.9478	High Similarity	NPC270883
0.9478	High Similarity	NPC172986
0.9474	High Similarity	NPC474504
0.9474	High Similarity	NPC474487
0.9474	High Similarity	NPC470672
0.9474	High Similarity	NPC470671
0.947	High Similarity	NPC156910
0.9453	High Similarity	NPC230818
0.9407	High Similarity	NPC64908
0.9407	High Similarity	NPC282300
0.9407	High Similarity	NPC147688
0.9407	High Similarity	NPC156590
0.9407	High Similarity	NPC110969
0.9407	High Similarity	NPC118840
0.9407	High Similarity	NPC205006
0.9403	High Similarity	NPC217186
0.9403	High Similarity	NPC53181
0.9403	High Similarity	NPC473076
0.9398	High Similarity	NPC332594
0.9394	High Similarity	NPC101752
0.9389	High Similarity	NPC78540
0.9389	High Similarity	NPC50898
0.9389	High Similarity	NPC213216
0.9389	High Similarity	NPC274121
0.938	High Similarity	NPC84772
0.9338	High Similarity	NPC214236
0.9338	High Similarity	NPC299080
0.9338	High Similarity	NPC204469
0.9338	High Similarity	NPC11561
0.9338	High Similarity	NPC200694
0.9338	High Similarity	NPC473042
0.9338	High Similarity	NPC78803
0.9338	High Similarity	NPC59739
0.9338	High Similarity	NPC62840
0.9338	High Similarity	NPC217083
0.9338	High Similarity	NPC293852
0.9338	High Similarity	NPC226636
0.9333	High Similarity	NPC475680
0.9333	High Similarity	NPC150522
0.9333	High Similarity	NPC69769
0.9333	High Similarity	NPC235239
0.9333	High Similarity	NPC477272
0.9333	High Similarity	NPC305355
0.9323	High Similarity	NPC29353
0.9323	High Similarity	NPC473887
0.9323	High Similarity	NPC47815
0.9323	High Similarity	NPC124784
0.9323	High Similarity	NPC194281
0.9323	High Similarity	NPC234133
0.9323	High Similarity	NPC231772
0.9323	High Similarity	NPC127447
0.9323	High Similarity	NPC13408
0.9318	High Similarity	NPC172262
0.9318	High Similarity	NPC236974
0.9318	High Similarity	NPC144027
0.9313	High Similarity	NPC203817
0.9308	High Similarity	NPC324482
0.9302	High Similarity	NPC69235
0.9302	High Similarity	NPC212379
0.9297	High Similarity	NPC128428
0.9297	High Similarity	NPC305518
0.9297	High Similarity	NPC49852
0.9297	High Similarity	NPC475496
0.927	High Similarity	NPC293053
0.927	High Similarity	NPC219915
0.927	High Similarity	NPC24821
0.927	High Similarity	NPC255133
0.927	High Similarity	NPC158874
0.927	High Similarity	NPC190637
0.927	High Similarity	NPC242100
0.927	High Similarity	NPC11700
0.927	High Similarity	NPC9117
0.927	High Similarity	NPC38219
0.927	High Similarity	NPC212932
0.9265	High Similarity	NPC258630
0.9265	High Similarity	NPC166689
0.9265	High Similarity	NPC279650
0.9265	High Similarity	NPC312391
0.9265	High Similarity	NPC3188
0.9265	High Similarity	NPC324386
0.9265	High Similarity	NPC4743
0.9265	High Similarity	NPC213322
0.9265	High Similarity	NPC17170
0.9265	High Similarity	NPC156190
0.9265	High Similarity	NPC14871
0.9265	High Similarity	NPC96408
0.9265	High Similarity	NPC103362
0.9259	High Similarity	NPC37206
0.9254	High Similarity	NPC228661
0.9254	High Similarity	NPC138047
0.9254	High Similarity	NPC131782
0.9254	High Similarity	NPC250266
0.9254	High Similarity	NPC474624
0.9254	High Similarity	NPC266597
0.9248	High Similarity	NPC242712
0.9248	High Similarity	NPC9985
0.9248	High Similarity	NPC13575
0.9248	High Similarity	NPC239495
0.9242	High Similarity	NPC57601
0.9237	High Similarity	NPC113006
0.9237	High Similarity	NPC27490
0.9225	High Similarity	NPC473907
0.9203	High Similarity	NPC234629
0.9203	High Similarity	NPC326500
0.9203	High Similarity	NPC273538
0.9203	High Similarity	NPC224714
0.9203	High Similarity	NPC319752
0.9203	High Similarity	NPC216538
0.9203	High Similarity	NPC311741
0.9203	High Similarity	NPC297788
0.9197	High Similarity	NPC161506
0.9197	High Similarity	NPC167624
0.9197	High Similarity	NPC324134
0.9197	High Similarity	NPC40833
0.9197	High Similarity	NPC125855
0.9197	High Similarity	NPC182852
0.9197	High Similarity	NPC76372
0.9197	High Similarity	NPC107572
0.9197	High Similarity	NPC37496
0.9197	High Similarity	NPC36181
0.9197	High Similarity	NPC166934
0.9197	High Similarity	NPC194432
0.9197	High Similarity	NPC78
0.9197	High Similarity	NPC177354
0.9197	High Similarity	NPC76338
0.9197	High Similarity	NPC1089
0.9197	High Similarity	NPC162476
0.9197	High Similarity	NPC228504
0.9197	High Similarity	NPC148757
0.9197	High Similarity	NPC144499
0.9197	High Similarity	NPC32739
0.9197	High Similarity	NPC227579
0.9197	High Similarity	NPC265040
0.9197	High Similarity	NPC64915
0.9197	High Similarity	NPC223500
0.9197	High Similarity	NPC328164
0.9197	High Similarity	NPC166482
0.9197	High Similarity	NPC10937
0.9197	High Similarity	NPC220998
0.9197	High Similarity	NPC325346
0.9197	High Similarity	NPC66515
0.9197	High Similarity	NPC296917
0.9197	High Similarity	NPC324436
0.9197	High Similarity	NPC306829
0.9191	High Similarity	NPC307990
0.9191	High Similarity	NPC16455
0.9185	High Similarity	NPC57380
0.9185	High Similarity	NPC124269
0.9185	High Similarity	NPC199458
0.9185	High Similarity	NPC470083
0.9185	High Similarity	NPC219584
0.9185	High Similarity	NPC183639
0.9179	High Similarity	NPC41461
0.9179	High Similarity	NPC25287
0.9179	High Similarity	NPC274109
0.9179	High Similarity	NPC1486
0.9179	High Similarity	NPC256042
0.9179	High Similarity	NPC150399
0.9179	High Similarity	NPC98115
0.9179	High Similarity	NPC116775
0.9179	High Similarity	NPC281917
0.9179	High Similarity	NPC477242
0.9179	High Similarity	NPC477244
0.9179	High Similarity	NPC470398
0.9179	High Similarity	NPC249606
0.9179	High Similarity	NPC12165
0.9179	High Similarity	NPC168105
0.9179	High Similarity	NPC187826

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC93756 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	285
0.1-0.2	966
0.2-0.3	1588
0.3-0.4	2649
0.4-0.5	1866
0.5-0.6	1232
0.6-0.7	392
0.7-0.8	131
0.8-0.85	34
0.85-0.9	12
0.9-0.95	6
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.9203	High Similarity	NPD4378	Clinical (unspecified phase)
0.9111	High Similarity	NPD1552	Clinical (unspecified phase)
0.9111	High Similarity	NPD1550	Clinical (unspecified phase)
0.9091	High Similarity	NPD1240	Approved
0.9065	High Similarity	NPD7410	Clinical (unspecified phase)
0.9044	High Similarity	NPD1549	Phase 2
0.8963	High Similarity	NPD1510	Phase 2
0.8955	High Similarity	NPD1607	Approved
0.8841	High Similarity	NPD2800	Approved
0.8768	High Similarity	NPD970	Clinical (unspecified phase)
0.8723	High Similarity	NPD1511	Approved
0.8705	High Similarity	NPD1243	Approved
0.8623	High Similarity	NPD2796	Approved
0.8601	High Similarity	NPD1512	Approved
0.8571	High Similarity	NPD2393	Clinical (unspecified phase)
0.8562	High Similarity	NPD7411	Suspended
0.854	High Similarity	NPD6651	Approved
0.8514	High Similarity	NPD8443	Clinical (unspecified phase)
0.8493	Intermediate Similarity	NPD4380	Phase 2
0.84	Intermediate Similarity	NPD7075	Discontinued
0.838	Intermediate Similarity	NPD3750	Approved
0.8378	Intermediate Similarity	NPD6801	Discontinued
0.8378	Intermediate Similarity	NPD1934	Approved
0.8333	Intermediate Similarity	NPD6799	Approved
0.8322	Intermediate Similarity	NPD2801	Approved
0.8322	Intermediate Similarity	NPD7096	Clinical (unspecified phase)
0.8322	Intermediate Similarity	NPD7819	Suspended
0.8288	Intermediate Similarity	NPD920	Approved
0.8264	Intermediate Similarity	NPD643	Clinical (unspecified phase)
0.8258	Intermediate Similarity	NPD422	Phase 1
0.8227	Intermediate Similarity	NPD1551	Phase 2
0.8195	Intermediate Similarity	NPD9717	Approved
0.8182	Intermediate Similarity	NPD7421	Clinical (unspecified phase)
0.8158	Intermediate Similarity	NPD4381	Clinical (unspecified phase)
0.8151	Intermediate Similarity	NPD2532	Approved
0.8151	Intermediate Similarity	NPD2533	Approved
0.8151	Intermediate Similarity	NPD642	Clinical (unspecified phase)
0.8151	Intermediate Similarity	NPD2534	Approved
0.8148	Intermediate Similarity	NPD1203	Approved
0.8125	Intermediate Similarity	NPD1878	Clinical (unspecified phase)
0.8121	Intermediate Similarity	NPD6599	Discontinued
0.8117	Intermediate Similarity	NPD6959	Discontinued
0.8116	Intermediate Similarity	NPD6859	Clinical (unspecified phase)
0.8092	Intermediate Similarity	NPD7768	Phase 2
0.8092	Intermediate Similarity	NPD3882	Suspended
0.8077	Intermediate Similarity	NPD7852	Clinical (unspecified phase)
0.8042	Intermediate Similarity	NPD2344	Approved
0.8039	Intermediate Similarity	NPD3749	Approved
0.8038	Intermediate Similarity	NPD7804	Clinical (unspecified phase)
0.8028	Intermediate Similarity	NPD1509	Clinical (unspecified phase)
0.8028	Intermediate Similarity	NPD3748	Approved
0.8028	Intermediate Similarity	NPD2799	Discontinued
0.7986	Intermediate Similarity	NPD2313	Discontinued
0.7972	Intermediate Similarity	NPD2935	Discontinued
0.7908	Intermediate Similarity	NPD3817	Phase 2
0.7872	Intermediate Similarity	NPD943	Approved
0.7871	Intermediate Similarity	NPD919	Approved
0.7857	Intermediate Similarity	NPD1296	Phase 2
0.7848	Intermediate Similarity	NPD6167	Clinical (unspecified phase)
0.7848	Intermediate Similarity	NPD6166	Phase 2
0.7848	Intermediate Similarity	NPD6168	Clinical (unspecified phase)
0.7847	Intermediate Similarity	NPD6099	Approved
0.7847	Intermediate Similarity	NPD6100	Approved
0.784	Intermediate Similarity	NPD4419	Clinical (unspecified phase)
0.7826	Intermediate Similarity	NPD5953	Discontinued
0.7823	Intermediate Similarity	NPD2309	Approved
0.782	Intermediate Similarity	NPD1548	Phase 1
0.7812	Intermediate Similarity	NPD7286	Phase 2
0.7808	Intermediate Similarity	NPD2654	Approved
0.78	Intermediate Similarity	NPD5403	Approved
0.7785	Intermediate Similarity	NPD5401	Approved
0.7771	Intermediate Similarity	NPD1247	Approved
0.7755	Intermediate Similarity	NPD6398	Clinical (unspecified phase)
0.775	Intermediate Similarity	NPD3818	Discontinued
0.773	Intermediate Similarity	NPD3268	Approved
0.7722	Intermediate Similarity	NPD6232	Discontinued
0.7721	Intermediate Similarity	NPD1547	Clinical (unspecified phase)
0.7707	Intermediate Similarity	NPD5494	Approved
0.7702	Intermediate Similarity	NPD7054	Approved
0.7697	Intermediate Similarity	NPD3226	Approved
0.7688	Intermediate Similarity	NPD7473	Discontinued
0.7687	Intermediate Similarity	NPD9545	Approved
0.7669	Intermediate Similarity	NPD9493	Approved
0.7654	Intermediate Similarity	NPD7074	Phase 3
0.7654	Intermediate Similarity	NPD7472	Approved
0.7628	Intermediate Similarity	NPD4868	Clinical (unspecified phase)
0.7626	Intermediate Similarity	NPD2797	Approved
0.7607	Intermediate Similarity	NPD6797	Phase 2
0.7606	Intermediate Similarity	NPD411	Approved
0.7606	Intermediate Similarity	NPD4907	Clinical (unspecified phase)
0.76	Intermediate Similarity	NPD7390	Discontinued
0.7591	Intermediate Similarity	NPD1610	Phase 2
0.7589	Intermediate Similarity	NPD6832	Phase 2
0.7576	Intermediate Similarity	NPD1241	Discontinued
0.7571	Intermediate Similarity	NPD2798	Approved
0.7569	Intermediate Similarity	NPD5123	Clinical (unspecified phase)
0.7569	Intermediate Similarity	NPD5124	Phase 1
0.7569	Intermediate Similarity	NPD447	Suspended
0.7569	Intermediate Similarity	NPD230	Phase 1
0.7561	Intermediate Similarity	NPD7251	Discontinued
0.7561	Intermediate Similarity	NPD6559	Discontinued
0.7554	Intermediate Similarity	NPD3225	Approved
0.7551	Intermediate Similarity	NPD2346	Discontinued
0.7546	Intermediate Similarity	NPD1729	Discontinued
0.7536	Intermediate Similarity	NPD1608	Approved
0.7534	Intermediate Similarity	NPD7033	Discontinued
0.7534	Intermediate Similarity	NPD4308	Phase 3
0.7517	Intermediate Similarity	NPD4628	Phase 3
0.7515	Intermediate Similarity	NPD7808	Phase 3
0.75	Intermediate Similarity	NPD1465	Phase 2
0.75	Intermediate Similarity	NPD3267	Approved
0.75	Intermediate Similarity	NPD5710	Approved
0.75	Intermediate Similarity	NPD5711	Approved
0.75	Intermediate Similarity	NPD3266	Approved
0.7465	Intermediate Similarity	NPD4908	Phase 1
0.7465	Intermediate Similarity	NPD1008	Clinical (unspecified phase)
0.7452	Intermediate Similarity	NPD5402	Approved
0.7447	Intermediate Similarity	NPD1019	Discontinued
0.7415	Intermediate Similarity	NPD651	Clinical (unspecified phase)
0.741	Intermediate Similarity	NPD4338	Clinical (unspecified phase)
0.7394	Intermediate Similarity	NPD1530	Clinical (unspecified phase)
0.7384	Intermediate Similarity	NPD4363	Phase 3
0.7384	Intermediate Similarity	NPD4360	Phase 2
0.7378	Intermediate Similarity	NPD5844	Phase 1
0.7376	Intermediate Similarity	NPD1164	Approved
0.7372	Intermediate Similarity	NPD4196	Clinical (unspecified phase)
0.7357	Intermediate Similarity	NPD4749	Approved
0.7346	Intermediate Similarity	NPD3926	Phase 2
0.7343	Intermediate Similarity	NPD1529	Clinical (unspecified phase)
0.7342	Intermediate Similarity	NPD4288	Approved
0.7341	Intermediate Similarity	NPD4362	Clinical (unspecified phase)
0.7341	Intermediate Similarity	NPD4361	Phase 2
0.7338	Intermediate Similarity	NPD1201	Approved
0.7319	Intermediate Similarity	NPD17	Approved
0.7315	Intermediate Similarity	NPD1471	Phase 3
0.7299	Intermediate Similarity	NPD8090	Clinical (unspecified phase)
0.7292	Intermediate Similarity	NPD4625	Phase 3
0.7286	Intermediate Similarity	NPD1481	Phase 2
0.7286	Intermediate Similarity	NPD3972	Approved
0.7261	Intermediate Similarity	NPD7615	Clinical (unspecified phase)
0.726	Intermediate Similarity	NPD4307	Phase 2
0.7254	Intermediate Similarity	NPD1470	Approved
0.7246	Intermediate Similarity	NPD6104	Discontinued
0.7233	Intermediate Similarity	NPD2296	Approved
0.7214	Intermediate Similarity	NPD1535	Discovery
0.7211	Intermediate Similarity	NPD1899	Clinical (unspecified phase)
0.7211	Intermediate Similarity	NPD1933	Approved
0.7197	Intermediate Similarity	NPD9266	Approved
0.7197	Intermediate Similarity	NPD74	Approved
0.7195	Intermediate Similarity	NPD2403	Approved
0.7186	Intermediate Similarity	NPD7993	Clinical (unspecified phase)
0.7143	Intermediate Similarity	NPD1613	Approved
0.7143	Intermediate Similarity	NPD1612	Clinical (unspecified phase)
0.7132	Intermediate Similarity	NPD846	Approved
0.7132	Intermediate Similarity	NPD940	Approved
0.7124	Intermediate Similarity	NPD2354	Approved
0.7123	Intermediate Similarity	NPD3764	Approved
0.7123	Intermediate Similarity	NPD6410	Clinical (unspecified phase)
0.7121	Intermediate Similarity	NPD9267	Approved
0.7121	Intermediate Similarity	NPD9264	Approved
0.7121	Intermediate Similarity	NPD9263	Approved
0.7121	Intermediate Similarity	NPD9265	Clinical (unspecified phase)
0.7115	Intermediate Similarity	NPD6980	Clinical (unspecified phase)
0.7105	Intermediate Similarity	NPD1652	Phase 2
0.7089	Intermediate Similarity	NPD6585	Discontinued
0.7086	Intermediate Similarity	NPD2343	Clinical (unspecified phase)
0.7052	Intermediate Similarity	NPD4287	Approved
0.7051	Intermediate Similarity	NPD5049	Phase 3
0.7044	Intermediate Similarity	NPD5890	Approved
0.7044	Intermediate Similarity	NPD5889	Approved
0.7042	Intermediate Similarity	NPD9269	Phase 2
0.7039	Intermediate Similarity	NPD2424	Discontinued
0.7034	Intermediate Similarity	NPD9494	Approved
0.7029	Intermediate Similarity	NPD405	Clinical (unspecified phase)
0.7027	Intermediate Similarity	NPD3140	Approved
0.7027	Intermediate Similarity	NPD3142	Approved
0.7025	Intermediate Similarity	NPD7458	Discontinued
0.702	Intermediate Similarity	NPD5405	Approved
0.702	Intermediate Similarity	NPD5404	Approved
0.702	Intermediate Similarity	NPD5406	Approved
0.702	Intermediate Similarity	NPD5408	Approved
0.7007	Intermediate Similarity	NPD6798	Discontinued
0.7	Intermediate Similarity	NPD9268	Approved
0.6987	Remote Similarity	NPD7004	Clinical (unspecified phase)
0.6983	Remote Similarity	NPD7501	Clinical (unspecified phase)
0.6974	Remote Similarity	NPD2353	Approved
0.6974	Remote Similarity	NPD2355	Clinical (unspecified phase)
0.6974	Remote Similarity	NPD6002	Phase 3
0.6974	Remote Similarity	NPD6004	Phase 3
0.6974	Remote Similarity	NPD6006	Clinical (unspecified phase)
0.6974	Remote Similarity	NPD6003	Clinical (unspecified phase)
0.6974	Remote Similarity	NPD6005	Phase 3
0.697	Remote Similarity	NPD7229	Phase 3
0.695	Remote Similarity	NPD1778	Approved
0.6948	Remote Similarity	NPD7003	Approved
0.6944	Remote Similarity	NPD1876	Approved
0.6944	Remote Similarity	NPD1283	Approved
0.694	Remote Similarity	NPD7584	Approved
0.6929	Remote Similarity	NPD1894	Discontinued
0.6923	Remote Similarity	NPD6143	Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID	5318562
ChEMBL	CHEMBL1371435
ZINC

Physicochemical Properties

Molecular Weight:	206.06
ALogP:	-0.3427
MLogP:	2.23
XLogP:	0.529
# Rotatable Bonds:	4
Polar Surface Area:	66.76
# H-Bond Aceptor:	1
# H-Bond Donor:	2
# Rings:	2
# Heavy Atoms:	15

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