NPASS Natural Product

Natural Product: NPC262573

Natural Product ID:	NPC262573
Common Name:	Demethylmedicarpin
IUPAC Name:	(6aR,11aR)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,9-diol
Synonyms:	Demethylmedicarpin
Molecular Formula:	C15H12O4
Standard InCHIKey:	ODMIEGVTNZNSLD-WFASDCNBSA-N
Standard InCHI:	InChI=1S/C15H12O4/c16-8-2-4-11-13(5-8)18-7-12-10-3-1-9(17)6-14(10)19-15(11)12/h1-6,12,15-17H,7H2/t12-,15-/m0/s1
Canonical SMILES:	Oc1ccc2c(c1)OC[C@@H]1[C@H]2Oc2c1ccc(c2)O
First Find Year:
Max Developmental Stage:
Synthetic Gene Cluster:	;

Species Source

Organism ID	Organism Name	Taxonomy Level	Family	SuperKingdom	Reference
NPO26606	Macadamia ternifolia	Species	Proteaceae	Eukaryota	UNPD*
NPO9226	Astragalus pycnanthus	Species	Fabaceae	Eukaryota	UNPD*
NPO8398	Cymodocea nodosa	Species	Cymodoceaceae	Eukaryota	UNPD*
NPO15439	Iyengaria stellata	Species	Scytosiphonaceae	Eukaryota	UNPD*
NPO7001	Berberis floribunda	Species	Berberidaceae	Eukaryota	UNPD*
NPO8006	Berlinia tomentosa	Species	Fabaceae	Eukaryota	UNPD*
NPO9452	Pulsatilla campanella	Species	Ranunculaceae	Eukaryota	UNPD*
NPO11789	Swertia decussata	Species	Gentianaceae	Eukaryota	UNPD*
NPO3292	Desmodium styracifolium	Species	Fabaceae	Eukaryota	UNPD*
NPO9640	Dinophysis fortii	Species	Dinophysiaceae	Eukaryota	UNPD*
NPO8701	Bonamia spectabilis	Species	Convolvulaceae	Eukaryota	UNPD*
NPO6572	Dunalia solanacea	Species	Solanaceae	Eukaryota	UNPD*
NPO11910	Peltogyne pubescens	Species	Fabaceae	Eukaryota	UNPD*
NPO733	Pseudoceratina arabica	Species	Pseudoceratinidae	Eukaryota	UNPD*
NPO3658	Achillea pseudopectinata	Species	Asteraceae	Eukaryota	UNPD*
NPO7949	Pterodon emarginatus	Species	Fabaceae	Eukaryota	UNPD*
NPO11534	Astragalus spinosus	Species	Fabaceae	Eukaryota	UNPD*
NPO7319	Jamesoniella colorata	Species	Jungermanniaceae	Eukaryota	UNPD*
NPO3311	Diplacus longiflorus	Species	Phrymaceae	Eukaryota	UNPD*
NPO24178	Citrus rugulosa	Species	Rutaceae	Eukaryota	UNPD*
NPO9009	Atuna racemosa	Species	Chrysobalanaceae	Eukaryota	UNPD*
NPO12284	Hydrangea serrata	Species	Hydrangeaceae	Eukaryota	UNPD*
NPO7627	Fumaria micrantha	Species	Papaveraceae	Eukaryota	UNPD*
NPO4734	Syzygium nervosum	Species	Myrtaceae	Eukaryota	UNPD*
NPO2280	Streptomyces griseochromogenes	Species	Streptomycetaceae	Bacteria	UNPD*
NPO23899	Rosulabryum capillare	Species	Bryaceae	Eukaryota	UNPD*
NPO12864	Trogoderma granarium	Species	Dermestidae	Eukaryota	UNPD*
NPO10546	Allagopappus viscosissimus	Species	Asteraceae	Eukaryota	UNPD*
NPO4910	Lepidosperma ustulatum	Species	Cyperaceae	Eukaryota	UNPD*
NPO18447	Papaver tatricum	Species	Papaveraceae	Eukaryota	UNPD*
NPO5743	Salvia miltiorrhiza	Species	Lamiaceae	Eukaryota	UNPD*
NPO12169	Ranunculus peltatus	Species	Ranunculaceae	Eukaryota	UNPD*
NPO12644	Lunularia cruciata	Species	Lunulariaceae	Eukaryota	UNPD*
NPO2565	Aglaia australiensis	Species	Meliaceae	Eukaryota	UNPD*
NPO11223	Pleurotus japonicus	Species	Pleurotaceae	Eukaryota	UNPD*

Biological Activity

Activity Type	# Activity
IC50	2
Ki	1
Others	2

Activity Type	# Activity
Individual Protein	5

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT344	Individual Protein	Sialidase	Clostridium perfringens	IC50	=	6390	nM	20363636
NPT345	Individual Protein	Sialidase	Vibrio cholerae serotype O1 (strain ATCC 39315 / El Tor Inaba N16961)	IC50	=	29540	nM	20363636
NPT344	Individual Protein	Sialidase	Clostridium perfringens	Ki	=	3830	nM	20363636
NPT344	Individual Protein	Sialidase	Clostridium perfringens	Inhibition	=	91	%	20363636
NPT344	Individual Protein	Sialidase	Clostridium perfringens	Inhibition	=	9	%	20363636

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 NPC262573 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	1136
0.2-0.3	2441
0.3-0.4	6927
0.4-0.5	6580
0.5-0.6	2525
0.6-0.7	5333
0.7-0.8	4756
0.8-0.85	675
0.85-0.9	168
0.9-0.95	68
0.95-1	27

Similarity Score	Similarity Level	Natural Product ID
1.0	High Similarity	NPC471215
0.9835	High Similarity	NPC47283
0.9835	High Similarity	NPC39064
0.9597	High Similarity	NPC12875
0.9597	High Similarity	NPC207892
0.9597	High Similarity	NPC17343
0.9597	High Similarity	NPC280653
0.9597	High Similarity	NPC150011
0.9597	High Similarity	NPC236014
0.9597	High Similarity	NPC129106
0.9597	High Similarity	NPC268917
0.9597	High Similarity	NPC129784
0.9597	High Similarity	NPC164574
0.9597	High Similarity	NPC206224
0.9597	High Similarity	NPC118114
0.9597	High Similarity	NPC228369
0.9597	High Similarity	NPC300875
0.9597	High Similarity	NPC196765
0.9597	High Similarity	NPC476166
0.958	High Similarity	NPC193364
0.952	High Similarity	NPC13005
0.9516	High Similarity	NPC27187
0.9516	High Similarity	NPC470225
0.9508	High Similarity	NPC283049
0.9508	High Similarity	NPC230479
0.9508	High Similarity	NPC26879
0.9508	High Similarity	NPC50315
0.944	High Similarity	NPC162801
0.944	High Similarity	NPC181497
0.944	High Similarity	NPC271945
0.9412	High Similarity	NPC8283
0.9412	High Similarity	NPC258979
0.9412	High Similarity	NPC93398
0.937	High Similarity	NPC223008
0.937	High Similarity	NPC296915
0.937	High Similarity	NPC198154
0.937	High Similarity	NPC97834
0.937	High Similarity	NPC115335
0.937	High Similarity	NPC225696
0.9355	High Similarity	NPC38664
0.9355	High Similarity	NPC53986
0.9344	High Similarity	NPC294156
0.9344	High Similarity	NPC256015
0.9291	High Similarity	NPC85435
0.928	High Similarity	NPC93962
0.9268	High Similarity	NPC167571
0.9268	High Similarity	NPC278552
0.9268	High Similarity	NPC207179
0.9262	High Similarity	NPC76465
0.9262	High Similarity	NPC38761
0.9256	High Similarity	NPC54972
0.9219	High Similarity	NPC124085
0.9219	High Similarity	NPC117048
0.92	High Similarity	NPC274717
0.918	High Similarity	NPC100099
0.918	High Similarity	NPC36016
0.9154	High Similarity	NPC474687
0.9134	High Similarity	NPC244888
0.9134	High Similarity	NPC211413
0.9134	High Similarity	NPC118683
0.9134	High Similarity	NPC68205
0.9134	High Similarity	NPC164804
0.9134	High Similarity	NPC293203
0.9113	High Similarity	NPC285040
0.9113	High Similarity	NPC188022
0.9113	High Similarity	NPC102540
0.9113	High Similarity	NPC17809
0.9113	High Similarity	NPC103420
0.9098	High Similarity	NPC190454
0.9098	High Similarity	NPC97432
0.9084	High Similarity	NPC475836
0.9084	High Similarity	NPC232164
0.9084	High Similarity	NPC236306
0.9084	High Similarity	NPC473739
0.9083	High Similarity	NPC74821
0.9077	High Similarity	NPC262585
0.9077	High Similarity	NPC3049
0.9077	High Similarity	NPC18189
0.9077	High Similarity	NPC141717
0.9077	High Similarity	NPC20829
0.9048	High Similarity	NPC87224
0.9048	High Similarity	NPC222572
0.904	High Similarity	NPC276212
0.9032	High Similarity	NPC134195
0.9032	High Similarity	NPC86502
0.9032	High Similarity	NPC246648
0.9032	High Similarity	NPC197351
0.9032	High Similarity	NPC106914
0.9015	High Similarity	NPC184797
0.9015	High Similarity	NPC27495
0.9015	High Similarity	NPC309124
0.9008	High Similarity	NPC295259
0.9	High Similarity	NPC125579
0.9	High Similarity	NPC11727
0.9	High Similarity	NPC15109
0.8992	High Similarity	NPC215037
0.8992	High Similarity	NPC77196
0.8984	High Similarity	NPC103799
0.896	High Similarity	NPC81641
0.8947	High Similarity	NPC5155
0.8923	High Similarity	NPC476616
0.8923	High Similarity	NPC476617
0.8923	High Similarity	NPC473107
0.8923	High Similarity	NPC476615
0.8915	High Similarity	NPC126029
0.8915	High Similarity	NPC261619
0.8915	High Similarity	NPC61477
0.8915	High Similarity	NPC78770
0.8915	High Similarity	NPC219876
0.8915	High Similarity	NPC15658
0.8915	High Similarity	NPC185604
0.8881	High Similarity	NPC107161
0.8872	High Similarity	NPC182509
0.8872	High Similarity	NPC213607
0.8872	High Similarity	NPC174787
0.8871	High Similarity	NPC150026
0.8852	High Similarity	NPC172253
0.8852	High Similarity	NPC59561
0.8846	High Similarity	NPC11060
0.8846	High Similarity	NPC92805
0.8837	High Similarity	NPC268266
0.8837	High Similarity	NPC220825
0.8837	High Similarity	NPC268342
0.8837	High Similarity	NPC42760
0.8828	High Similarity	NPC134360
0.8819	High Similarity	NPC149796
0.8806	High Similarity	NPC247291
0.8797	High Similarity	NPC471388
0.8797	High Similarity	NPC292487
0.8788	High Similarity	NPC471522
0.8788	High Similarity	NPC270456
0.8788	High Similarity	NPC248727
0.8788	High Similarity	NPC234952
0.8788	High Similarity	NPC173660
0.8788	High Similarity	NPC265433
0.8788	High Similarity	NPC162659
0.875	High Similarity	NPC93323
0.875	High Similarity	NPC45257
0.875	High Similarity	NPC226331
0.875	High Similarity	NPC280092
0.875	High Similarity	NPC46274
0.875	High Similarity	NPC12641
0.8741	High Similarity	NPC472353
0.8731	High Similarity	NPC254759
0.8731	High Similarity	NPC160283
0.8722	High Similarity	NPC477938
0.8722	High Similarity	NPC470308
0.8722	High Similarity	NPC470307
0.8722	High Similarity	NPC94994
0.8712	High Similarity	NPC61946
0.8712	High Similarity	NPC195022
0.8712	High Similarity	NPC164787
0.8712	High Similarity	NPC470356
0.8712	High Similarity	NPC94750
0.8712	High Similarity	NPC112246
0.8712	High Similarity	NPC474206
0.8712	High Similarity	NPC151224
0.8712	High Similarity	NPC473413
0.8712	High Similarity	NPC112939
0.8712	High Similarity	NPC121812
0.8692	High Similarity	NPC472590
0.8686	High Similarity	NPC469557
0.8686	High Similarity	NPC11422
0.8686	High Similarity	NPC42716
0.8686	High Similarity	NPC474749
0.8686	High Similarity	NPC178014
0.8682	High Similarity	NPC472797
0.8676	High Similarity	NPC102044
0.8676	High Similarity	NPC85264
0.8676	High Similarity	NPC163508
0.8676	High Similarity	NPC47633
0.8676	High Similarity	NPC173203
0.8672	High Similarity	NPC5447
0.8672	High Similarity	NPC250432
0.8667	High Similarity	NPC471389
0.8667	High Similarity	NPC178054
0.8667	High Similarity	NPC87725
0.8667	High Similarity	NPC108674
0.8667	High Similarity	NPC277331
0.8667	High Similarity	NPC100482
0.8667	High Similarity	NPC263261
0.8657	High Similarity	NPC127218
0.8657	High Similarity	NPC292882
0.8657	High Similarity	NPC32630
0.8657	High Similarity	NPC245207
0.8657	High Similarity	NPC319647
0.8657	High Similarity	NPC25966
0.8657	High Similarity	NPC70682
0.8657	High Similarity	NPC260741
0.8651	High Similarity	NPC474160
0.8647	High Similarity	NPC474639
0.8647	High Similarity	NPC302701
0.8647	High Similarity	NPC16435
0.8647	High Similarity	NPC227503
0.8647	High Similarity	NPC306441
0.8647	High Similarity	NPC269091
0.8647	High Similarity	NPC230734
0.8647	High Similarity	NPC126101
0.8636	High Similarity	NPC317380
0.8636	High Similarity	NPC474478

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC262573 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	252
0.1-0.2	869
0.2-0.3	1407
0.3-0.4	2671
0.4-0.5	1935
0.5-0.6	1140
0.6-0.7	688
0.7-0.8	182
0.8-0.85	8
0.85-0.9	5
0.9-0.95	3
0.95-1	1

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.958	High Similarity	NPD1610	Phase 2
0.92	High Similarity	NPD4908	Phase 1
0.9083	High Similarity	NPD1548	Phase 1
0.9055	High Similarity	NPD4907	Clinical (unspecified phase)
0.8915	High Similarity	NPD1613	Approved
0.8915	High Similarity	NPD1612	Clinical (unspecified phase)
0.8819	High Similarity	NPD2861	Phase 2
0.875	High Similarity	NPD1529	Clinical (unspecified phase)
0.8672	High Similarity	NPD1530	Clinical (unspecified phase)
0.8359	Intermediate Similarity	NPD4749	Approved
0.8258	Intermediate Similarity	NPD4625	Phase 3
0.8248	Intermediate Similarity	NPD1550	Clinical (unspecified phase)
0.8248	Intermediate Similarity	NPD1552	Clinical (unspecified phase)
0.8195	Intermediate Similarity	NPD6410	Clinical (unspecified phase)
0.8188	Intermediate Similarity	NPD1549	Phase 2
0.812	Intermediate Similarity	NPD3027	Phase 3
0.8062	Intermediate Similarity	NPD422	Phase 1
0.7934	Intermediate Similarity	NPD968	Approved
0.7926	Intermediate Similarity	NPD6859	Clinical (unspecified phase)
0.7923	Intermediate Similarity	NPD1091	Approved
0.7902	Intermediate Similarity	NPD7212	Phase 2
0.7902	Intermediate Similarity	NPD7213	Phase 3
0.7883	Intermediate Similarity	NPD5124	Phase 1
0.7883	Intermediate Similarity	NPD5123	Clinical (unspecified phase)
0.7847	Intermediate Similarity	NPD7447	Phase 1
0.7842	Intermediate Similarity	NPD1510	Phase 2
0.7817	Intermediate Similarity	NPD3750	Approved
0.7817	Intermediate Similarity	NPD7466	Approved
0.7746	Intermediate Similarity	NPD5698	Clinical (unspecified phase)
0.7733	Intermediate Similarity	NPD8443	Clinical (unspecified phase)
0.7724	Intermediate Similarity	NPD4378	Clinical (unspecified phase)
0.7718	Intermediate Similarity	NPD1934	Approved
0.7714	Intermediate Similarity	NPD5588	Approved
0.7692	Intermediate Similarity	NPD3892	Phase 2
0.7667	Intermediate Similarity	NPD2393	Clinical (unspecified phase)
0.766	Intermediate Similarity	NPD6100	Approved
0.766	Intermediate Similarity	NPD6099	Approved
0.7656	Intermediate Similarity	NPD6671	Approved
0.7651	Intermediate Similarity	NPD7615	Clinical (unspecified phase)
0.763	Intermediate Similarity	NPD6917	Clinical (unspecified phase)
0.7622	Intermediate Similarity	NPD1652	Phase 2
0.7603	Intermediate Similarity	NPD940	Approved
0.7603	Intermediate Similarity	NPD7004	Clinical (unspecified phase)
0.7603	Intermediate Similarity	NPD846	Approved
0.7584	Intermediate Similarity	NPD4380	Phase 2
0.7581	Intermediate Similarity	NPD290	Approved
0.7554	Intermediate Similarity	NPD4060	Phase 1
0.7554	Intermediate Similarity	NPD1240	Approved
0.7537	Intermediate Similarity	NPD3600	Clinical (unspecified phase)
0.7535	Intermediate Similarity	NPD1551	Phase 2
0.7535	Intermediate Similarity	NPD2796	Approved
0.7534	Intermediate Similarity	NPD1511	Approved
0.7521	Intermediate Similarity	NPD1242	Phase 1
0.7518	Intermediate Similarity	NPD4537	Clinical (unspecified phase)
0.7518	Intermediate Similarity	NPD4538	Approved
0.7518	Intermediate Similarity	NPD4536	Approved
0.7516	Intermediate Similarity	NPD4381	Clinical (unspecified phase)
0.75	Intermediate Similarity	NPD6355	Discontinued
0.7481	Intermediate Similarity	NPD8651	Approved
0.7466	Intermediate Similarity	NPD5058	Phase 3
0.7465	Intermediate Similarity	NPD7033	Discontinued
0.7465	Intermediate Similarity	NPD5960	Phase 3
0.7465	Intermediate Similarity	NPD3748	Approved
0.7451	Intermediate Similarity	NPD4868	Clinical (unspecified phase)
0.745	Intermediate Similarity	NPD1653	Approved
0.7448	Intermediate Similarity	NPD6398	Clinical (unspecified phase)
0.7447	Intermediate Similarity	NPD1607	Approved
0.7432	Intermediate Similarity	NPD1512	Approved
0.7426	Intermediate Similarity	NPD2797	Approved
0.7407	Intermediate Similarity	NPD6583	Phase 3
0.7407	Intermediate Similarity	NPD6582	Phase 2
0.7403	Intermediate Similarity	NPD3749	Approved
0.7403	Intermediate Similarity	NPD7075	Discontinued
0.7385	Intermediate Similarity	NPD7157	Approved
0.7381	Intermediate Similarity	NPD2684	Approved
0.7372	Intermediate Similarity	NPD6584	Phase 3
0.7368	Intermediate Similarity	NPD37	Approved
0.7361	Intermediate Similarity	NPD6003	Clinical (unspecified phase)
0.7361	Intermediate Similarity	NPD6002	Phase 3
0.7361	Intermediate Similarity	NPD6006	Clinical (unspecified phase)
0.7361	Intermediate Similarity	NPD6005	Phase 3
0.7361	Intermediate Similarity	NPD6004	Phase 3
0.7355	Intermediate Similarity	NPD6234	Discontinued
0.7353	Intermediate Similarity	NPD6696	Suspended
0.7353	Intermediate Similarity	NPD3225	Approved
0.7348	Intermediate Similarity	NPD1182	Approved
0.7338	Intermediate Similarity	NPD7768	Phase 2
0.7338	Intermediate Similarity	NPD4965	Approved
0.7338	Intermediate Similarity	NPD4967	Phase 2
0.7338	Intermediate Similarity	NPD4966	Approved
0.7333	Intermediate Similarity	NPD1608	Approved
0.7333	Intermediate Similarity	NPD1840	Phase 2
0.7325	Intermediate Similarity	NPD7229	Phase 3
0.7323	Intermediate Similarity	NPD4750	Phase 3
0.732	Intermediate Similarity	NPD7096	Clinical (unspecified phase)
0.732	Intermediate Similarity	NPD7819	Suspended
0.7319	Intermediate Similarity	NPD3018	Phase 2
0.731	Intermediate Similarity	NPD970	Clinical (unspecified phase)
0.7308	Intermediate Similarity	NPD5494	Approved
0.7305	Intermediate Similarity	NPD2238	Phase 2
0.7303	Intermediate Similarity	NPD7411	Suspended
0.7295	Intermediate Similarity	NPD3020	Approved
0.7287	Intermediate Similarity	NPD7843	Approved
0.7287	Intermediate Similarity	NPD5535	Approved
0.7286	Intermediate Similarity	NPD3268	Approved
0.7286	Intermediate Similarity	NPD6798	Discontinued
0.7279	Intermediate Similarity	NPD5327	Phase 3
0.7273	Intermediate Similarity	NPD2200	Suspended
0.7261	Intermediate Similarity	NPD6959	Discontinued
0.7261	Intermediate Similarity	NPD7199	Phase 2
0.726	Intermediate Similarity	NPD2800	Approved
0.7259	Intermediate Similarity	NPD1535	Discovery
0.7254	Intermediate Similarity	NPD5735	Approved
0.725	Intermediate Similarity	NPD3818	Discontinued
0.7248	Intermediate Similarity	NPD7410	Clinical (unspecified phase)
0.7239	Intermediate Similarity	NPD6516	Phase 2
0.7239	Intermediate Similarity	NPD5846	Approved
0.7233	Intermediate Similarity	NPD6168	Clinical (unspecified phase)
0.7233	Intermediate Similarity	NPD6166	Phase 2
0.7233	Intermediate Similarity	NPD6167	Clinical (unspecified phase)
0.7231	Intermediate Similarity	NPD5283	Phase 1
0.7226	Intermediate Similarity	NPD3882	Suspended
0.7208	Intermediate Similarity	NPD2801	Approved
0.7206	Intermediate Similarity	NPD2235	Phase 2
0.7206	Intermediate Similarity	NPD2231	Phase 2
0.7206	Intermediate Similarity	NPD1481	Phase 2
0.7192	Intermediate Similarity	NPD7037	Approved
0.7192	Intermediate Similarity	NPD2424	Discontinued
0.7183	Intermediate Similarity	NPD4140	Approved
0.7178	Intermediate Similarity	NPD6559	Discontinued
0.717	Intermediate Similarity	NPD7184	Clinical (unspecified phase)
0.7163	Intermediate Similarity	NPD1296	Phase 2
0.7154	Intermediate Similarity	NPD821	Approved
0.7153	Intermediate Similarity	NPD2982	Phase 2
0.7153	Intermediate Similarity	NPD4978	Clinical (unspecified phase)
0.7153	Intermediate Similarity	NPD2983	Phase 2
0.7153	Intermediate Similarity	NPD7097	Phase 1
0.7143	Intermediate Similarity	NPD7421	Clinical (unspecified phase)
0.7143	Intermediate Similarity	NPD6674	Discontinued
0.7143	Intermediate Similarity	NPD7228	Approved
0.7143	Intermediate Similarity	NPD1008	Clinical (unspecified phase)
0.7132	Intermediate Similarity	NPD1547	Clinical (unspecified phase)
0.7125	Intermediate Similarity	NPD7852	Clinical (unspecified phase)
0.7123	Intermediate Similarity	NPD5763	Approved
0.7123	Intermediate Similarity	NPD2029	Clinical (unspecified phase)
0.7123	Intermediate Similarity	NPD5762	Approved
0.7114	Intermediate Similarity	NPD6667	Approved
0.7114	Intermediate Similarity	NPD6666	Approved
0.7113	Intermediate Similarity	NPD6233	Phase 2
0.7111	Intermediate Similarity	NPD17	Approved
0.7103	Intermediate Similarity	NPD3846	Clinical (unspecified phase)
0.7099	Intermediate Similarity	NPD7804	Clinical (unspecified phase)
0.7099	Intermediate Similarity	NPD5844	Phase 1
0.7097	Intermediate Similarity	NPD1465	Phase 2
0.7097	Intermediate Similarity	NPD8455	Phase 2
0.7095	Intermediate Similarity	NPD4628	Phase 3
0.709	Intermediate Similarity	NPD1894	Discontinued
0.7083	Intermediate Similarity	NPD6353	Approved
0.7083	Intermediate Similarity	NPD4097	Suspended
0.708	Intermediate Similarity	NPD2981	Phase 2
0.7077	Intermediate Similarity	NPD228	Approved
0.7071	Intermediate Similarity	NPD1712	Approved
0.7067	Intermediate Similarity	NPD7041	Phase 2
0.7067	Intermediate Similarity	NPD7040	Clinical (unspecified phase)
0.7067	Intermediate Similarity	NPD6799	Approved
0.7063	Intermediate Similarity	NPD5837	Clinical (unspecified phase)
0.7059	Intermediate Similarity	NPD8158	Clinical (unspecified phase)
0.7059	Intermediate Similarity	NPD3496	Discontinued
0.7055	Intermediate Similarity	NPD7074	Phase 3
0.7054	Intermediate Similarity	NPD5451	Approved
0.705	Intermediate Similarity	NPD3266	Approved
0.705	Intermediate Similarity	NPD3267	Approved
0.705	Intermediate Similarity	NPD1203	Approved
0.7049	Intermediate Similarity	NPD2859	Approved
0.7049	Intermediate Similarity	NPD2860	Approved
0.7042	Intermediate Similarity	NPD3764	Approved
0.7039	Intermediate Similarity	NPD920	Approved
0.7039	Intermediate Similarity	NPD5403	Approved
0.7037	Intermediate Similarity	NPD3443	Approved
0.7037	Intermediate Similarity	NPD3444	Approved
0.7037	Intermediate Similarity	NPD3445	Approved
0.7034	Intermediate Similarity	NPD7119	Phase 2
0.7032	Intermediate Similarity	NPD6801	Discontinued
0.703	Intermediate Similarity	NPD4419	Clinical (unspecified phase)
0.7029	Intermediate Similarity	NPD3685	Discontinued
0.702	Intermediate Similarity	NPD5401	Approved
0.702	Intermediate Similarity	NPD2532	Approved
0.702	Intermediate Similarity	NPD2534	Approved
0.702	Intermediate Similarity	NPD2533	Approved
0.702	Intermediate Similarity	NPD642	Clinical (unspecified phase)
0.7014	Intermediate Similarity	NPD4340	Discontinued
0.7013	Intermediate Similarity	NPD6599	Discontinued
0.7007	Intermediate Similarity	NPD2344	Approved
0.7007	Intermediate Similarity	NPD3705	Approved
0.7007	Intermediate Similarity	NPD1611	Approved
0.7	Intermediate Similarity	NPD3691	Phase 2
0.7	Intermediate Similarity	NPD558	Phase 2
0.7	Intermediate Similarity	NPD3690	Phase 2
0.7	Intermediate Similarity	NPD643	Clinical (unspecified phase)
0.6994	Remote Similarity	NPD7054	Approved

Structure

External Identifiers

PubChem CID	162933
ChEMBL	CHEMBL1098413
ZINC

Physicochemical Properties

Molecular Weight:	256.07
ALogP:	-1.5737
MLogP:	2.67
XLogP:	1.795
# Rotatable Bonds:	2
Polar Surface Area:	58.92
# H-Bond Aceptor:	0
# H-Bond Donor:	2
# Rings:	4
# Heavy Atoms:	19

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