NPASS Natural Product

Natural Product: NPC473868

Natural Product ID:	NPC473868
Common Name:	Epingouniensine
IUPAC Name:
Synonyms:	Epingouniensine
Molecular Formula:	C19H24N2
Standard InCHIKey:	PDILDUDBLULMER-KBXCAEBGSA-N
Standard InCHI:	InChI=1S/C19H24N2/c1-3-14-8-9-18-13(2)19-16(10-11-21(18)12-14)15-6-4-5-7-17(15)20-19/h4-7,14,18,20H,2-3,8-12H2,1H3/t14-,18+/m0/s1
Canonical SMILES:	CC[C@H]1CC[C@H]2N(C1)CCc1c(C2=C)[nH]c2c1cccc2
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
NPO20200	Strychnos ngouniensis	Species	Loganiaceae	Eukaryota				PMID[12398531]

Biological Activity

Activity Type	# Activity
IC50	3
Others	3

Activity Type	# Activity
Organism	6

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT6	Organism	Plasmodium falciparum	Plasmodium falciparum	IC50	=	15800	nM	18694951
NPT6	Organism	Plasmodium falciparum	Plasmodium falciparum	IC90	=	52800	nM	Open TG-GATES in vivo data: Biochemistry
NPT6	Organism	Plasmodium falciparum	Plasmodium falciparum	IC90	=	26900	nM	15568791
NPT6	Organism	Plasmodium falciparum	Plasmodium falciparum	IC90	=	49700	nM	26035018
NPT6	Organism	Plasmodium falciparum	Plasmodium falciparum	IC50	=	16300	nM	14575429
NPT6	Organism	Plasmodium falciparum	Plasmodium falciparum	IC50	=	7800	nM	19933793

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 NPC473868 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	603
0.1-0.2	6029
0.2-0.3	15036
0.3-0.4	4948
0.4-0.5	1860
0.5-0.6	1240
0.6-0.7	742
0.7-0.8	315
0.8-0.85	73
0.85-0.9	36
0.9-0.95	5
0.95-1	2

Similarity Score	Similarity Level	Natural Product ID
1.0	High Similarity	NPC63157
0.9638	High Similarity	NPC21605
0.9485	High Similarity	NPC59084
0.9259	High Similarity	NPC198988
0.9203	High Similarity	NPC2949
0.9191	High Similarity	NPC325252
0.913	High Similarity	NPC88097
0.8963	High Similarity	NPC22079
0.8958	High Similarity	NPC33421
0.8794	High Similarity	NPC115611
0.8777	High Similarity	NPC218268
0.8759	High Similarity	NPC475450
0.8723	High Similarity	NPC73767
0.8723	High Similarity	NPC110126
0.8686	High Similarity	NPC475428
0.8681	High Similarity	NPC204141
0.8681	High Similarity	NPC470440
0.8667	High Similarity	NPC250361
0.8662	High Similarity	NPC469783
0.8662	High Similarity	NPC469784
0.8662	High Similarity	NPC469779
0.8662	High Similarity	NPC469768
0.8662	High Similarity	NPC469767
0.8662	High Similarity	NPC469780
0.8662	High Similarity	NPC469761
0.8649	High Similarity	NPC476297
0.8647	High Similarity	NPC41174
0.8613	High Similarity	NPC473587
0.8601	High Similarity	NPC469766
0.86	High Similarity	NPC475990
0.86	High Similarity	NPC474880
0.86	High Similarity	NPC56765
0.86	High Similarity	NPC221786
0.8582	High Similarity	NPC105127
0.8582	High Similarity	NPC84911
0.8543	High Similarity	NPC229173
0.854	High Similarity	NPC473762
0.8526	High Similarity	NPC189812
0.8526	High Similarity	NPC329688
0.8514	High Similarity	NPC470233
0.8511	High Similarity	NPC29886
0.8511	High Similarity	NPC96102
0.8511	High Similarity	NPC261195
0.8489	Intermediate Similarity	NPC179365
0.8446	Intermediate Similarity	NPC53947
0.8435	Intermediate Similarity	NPC179787
0.8435	Intermediate Similarity	NPC201380
0.8431	Intermediate Similarity	NPC271797
0.8431	Intermediate Similarity	NPC21174
0.8429	Intermediate Similarity	NPC473930
0.8378	Intermediate Similarity	NPC321911
0.8378	Intermediate Similarity	NPC37548
0.8367	Intermediate Similarity	NPC63545
0.8355	Intermediate Similarity	NPC206819
0.8355	Intermediate Similarity	NPC318065
0.8333	Intermediate Similarity	NPC104483
0.8322	Intermediate Similarity	NPC125746
0.8312	Intermediate Similarity	NPC90723
0.8311	Intermediate Similarity	NPC469811
0.8299	Intermediate Similarity	NPC314372
0.8288	Intermediate Similarity	NPC20144
0.8288	Intermediate Similarity	NPC190296
0.8278	Intermediate Similarity	NPC476219
0.8276	Intermediate Similarity	NPC279081
0.8276	Intermediate Similarity	NPC284635
0.8271	Intermediate Similarity	NPC81561
0.8255	Intermediate Similarity	NPC2272
0.8243	Intermediate Similarity	NPC288838
0.8235	Intermediate Similarity	NPC41257
0.8231	Intermediate Similarity	NPC242556
0.8227	Intermediate Similarity	NPC82295
0.8217	Intermediate Similarity	NPC474897
0.8212	Intermediate Similarity	NPC325903
0.82	Intermediate Similarity	NPC105818
0.82	Intermediate Similarity	NPC40070
0.82	Intermediate Similarity	NPC24678
0.8195	Intermediate Similarity	NPC148140
0.8188	Intermediate Similarity	NPC477134
0.817	Intermediate Similarity	NPC286427
0.8158	Intermediate Similarity	NPC38736
0.8158	Intermediate Similarity	NPC470507
0.8153	Intermediate Similarity	NPC317430
0.8151	Intermediate Similarity	NPC230002
0.8133	Intermediate Similarity	NPC187951
0.8121	Intermediate Similarity	NPC143872
0.8113	Intermediate Similarity	NPC472123
0.8105	Intermediate Similarity	NPC285469
0.8092	Intermediate Similarity	NPC73952
0.8092	Intermediate Similarity	NPC469760
0.8092	Intermediate Similarity	NPC469765
0.8092	Intermediate Similarity	NPC259644
0.8092	Intermediate Similarity	NPC25008
0.8092	Intermediate Similarity	NPC200214
0.8092	Intermediate Similarity	NPC469786
0.8092	Intermediate Similarity	NPC469763
0.8082	Intermediate Similarity	NPC312092
0.8079	Intermediate Similarity	NPC148592
0.8069	Intermediate Similarity	NPC251722
0.8069	Intermediate Similarity	NPC150259
0.8069	Intermediate Similarity	NPC314102
0.8067	Intermediate Similarity	NPC471957
0.8065	Intermediate Similarity	NPC215584
0.8065	Intermediate Similarity	NPC44773
0.8054	Intermediate Similarity	NPC159856
0.8052	Intermediate Similarity	NPC236711
0.8052	Intermediate Similarity	NPC216643
0.8039	Intermediate Similarity	NPC80597
0.8039	Intermediate Similarity	NPC212376
0.8039	Intermediate Similarity	NPC70922
0.8039	Intermediate Similarity	NPC75540
0.8039	Intermediate Similarity	NPC211572
0.8013	Intermediate Similarity	NPC124005
0.8013	Intermediate Similarity	NPC470203
0.8012	Intermediate Similarity	NPC280852
0.8012	Intermediate Similarity	NPC474958
0.8	Intermediate Similarity	NPC161861
0.7987	Intermediate Similarity	NPC194411
0.7975	Intermediate Similarity	NPC474561
0.7975	Intermediate Similarity	NPC49954
0.7962	Intermediate Similarity	NPC317105
0.7962	Intermediate Similarity	NPC247987
0.7956	Intermediate Similarity	NPC215519
0.7949	Intermediate Similarity	NPC470204
0.7941	Intermediate Similarity	NPC54102
0.7941	Intermediate Similarity	NPC162689
0.7937	Intermediate Similarity	NPC82331
0.7922	Intermediate Similarity	NPC34844
0.7917	Intermediate Similarity	NPC329858
0.7917	Intermediate Similarity	NPC314333
0.7908	Intermediate Similarity	NPC470823
0.7898	Intermediate Similarity	NPC16667
0.7885	Intermediate Similarity	NPC135141
0.7885	Intermediate Similarity	NPC92796
0.7871	Intermediate Similarity	NPC469785
0.7862	Intermediate Similarity	NPC109447
0.7862	Intermediate Similarity	NPC160105
0.7857	Intermediate Similarity	NPC141926
0.7857	Intermediate Similarity	NPC122718
0.784	Intermediate Similarity	NPC37423
0.784	Intermediate Similarity	NPC275305
0.7834	Intermediate Similarity	NPC122141
0.7829	Intermediate Similarity	NPC470111
0.7821	Intermediate Similarity	NPC469762
0.7806	Intermediate Similarity	NPC471458
0.7806	Intermediate Similarity	NPC207726
0.7794	Intermediate Similarity	NPC476566
0.7792	Intermediate Similarity	NPC216713
0.7786	Intermediate Similarity	NPC46358
0.7785	Intermediate Similarity	NPC282231
0.7771	Intermediate Similarity	NPC19679
0.7771	Intermediate Similarity	NPC472108
0.7771	Intermediate Similarity	NPC139291
0.7771	Intermediate Similarity	NPC6436
0.7763	Intermediate Similarity	NPC129042
0.7756	Intermediate Similarity	NPC184476
0.7756	Intermediate Similarity	NPC476464
0.7744	Intermediate Similarity	NPC68354
0.7736	Intermediate Similarity	NPC311276
0.7736	Intermediate Similarity	NPC162799
0.773	Intermediate Similarity	NPC27740
0.7725	Intermediate Similarity	NPC472294
0.7722	Intermediate Similarity	NPC279918
0.7716	Intermediate Similarity	NPC6982
0.7707	Intermediate Similarity	NPC299594
0.7702	Intermediate Similarity	NPC63751
0.7702	Intermediate Similarity	NPC201700
0.7697	Intermediate Similarity	NPC176199
0.7697	Intermediate Similarity	NPC215795
0.7688	Intermediate Similarity	NPC274229
0.7669	Intermediate Similarity	NPC477611
0.7669	Intermediate Similarity	NPC314603
0.7658	Intermediate Similarity	NPC67056
0.7654	Intermediate Similarity	NPC280548
0.7643	Intermediate Similarity	NPC141353
0.7643	Intermediate Similarity	NPC265605
0.7643	Intermediate Similarity	NPC48564
0.7643	Intermediate Similarity	NPC51054
0.7643	Intermediate Similarity	NPC182570
0.7628	Intermediate Similarity	NPC232798
0.7625	Intermediate Similarity	NPC40779
0.7625	Intermediate Similarity	NPC194640
0.7625	Intermediate Similarity	NPC472587
0.761	Intermediate Similarity	NPC255229
0.761	Intermediate Similarity	NPC473320
0.761	Intermediate Similarity	NPC81229
0.7605	Intermediate Similarity	NPC233936
0.7578	Intermediate Similarity	NPC2165
0.7578	Intermediate Similarity	NPC195507
0.7574	Intermediate Similarity	NPC133003
0.7562	Intermediate Similarity	NPC194881
0.7561	Intermediate Similarity	NPC34508
0.756	Intermediate Similarity	NPC470205
0.7552	Intermediate Similarity	NPC146373
0.7552	Intermediate Similarity	NPC245244
0.7552	Intermediate Similarity	NPC166424
0.7546	Intermediate Similarity	NPC97343
0.7545	Intermediate Similarity	NPC469896
0.7545	Intermediate Similarity	NPC91179
0.7544	Intermediate Similarity	NPC63199
0.7544	Intermediate Similarity	NPC102338

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC473868 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	316
0.1-0.2	685
0.2-0.3	1237
0.3-0.4	1492
0.4-0.5	2376
0.5-0.6	1937
0.6-0.7	868
0.7-0.8	214
0.8-0.85	26
0.85-0.9	10
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.8936	High Similarity	NPD4637	Clinical (unspecified phase)
0.8929	High Similarity	NPD3943	Clinical (unspecified phase)
0.8865	High Similarity	NPD1722	Approved
0.8768	High Similarity	NPD3385	Approved
0.8741	High Similarity	NPD5254	Discontinued
0.8723	High Similarity	NPD786	Approved
0.8613	High Similarity	NPD3654	Approved
0.8581	High Similarity	NPD2837	Discontinued
0.8511	High Similarity	NPD198	Clinical (unspecified phase)
0.8503	High Similarity	NPD3100	Discontinued
0.8493	Intermediate Similarity	NPD1683	Approved
0.8431	Intermediate Similarity	NPD3323	Discontinued
0.8377	Intermediate Similarity	NPD5744	Clinical (unspecified phase)
0.8322	Intermediate Similarity	NPD4463	Approved
0.8322	Intermediate Similarity	NPD4462	Approved
0.8255	Intermediate Similarity	NPD4374	Clinical (unspecified phase)
0.8224	Intermediate Similarity	NPD2150	Discontinued
0.82	Intermediate Similarity	NPD2172	Phase 1
0.8194	Intermediate Similarity	NPD1262	Discovery
0.8165	Intermediate Similarity	NPD3609	Approved
0.8165	Intermediate Similarity	NPD3610	Approved
0.8153	Intermediate Similarity	NPD2640	Approved
0.8153	Intermediate Similarity	NPD2641	Approved
0.8125	Intermediate Similarity	NPD1254	Approved
0.8125	Intermediate Similarity	NPD1256	Approved
0.8125	Intermediate Similarity	NPD1253	Approved
0.8125	Intermediate Similarity	NPD1255	Approved
0.8113	Intermediate Similarity	NPD4112	Clinical (unspecified phase)
0.8071	Intermediate Similarity	NPD2118	Approved
0.8071	Intermediate Similarity	NPD2119	Approved
0.8069	Intermediate Similarity	NPD6554	Approved
0.8069	Intermediate Similarity	NPD45	Approved
0.8067	Intermediate Similarity	NPD4547	Phase 3
0.8028	Intermediate Similarity	NPD3476	Approved
0.8028	Intermediate Similarity	NPD3475	Approved
0.8013	Intermediate Similarity	NPD1853	Clinical (unspecified phase)
0.7963	Intermediate Similarity	NPD4181	Approved
0.7958	Intermediate Similarity	NPD947	Approved
0.795	Intermediate Similarity	NPD5065	Approved
0.7943	Intermediate Similarity	NPD992	Clinical (unspecified phase)
0.7943	Intermediate Similarity	NPD991	Phase 2
0.7919	Intermediate Similarity	NPD2006	Phase 2
0.7917	Intermediate Similarity	NPD4499	Approved
0.7901	Intermediate Similarity	NPD4075	Phase 2
0.7895	Intermediate Similarity	NPD2430	Phase 2
0.7866	Intermediate Similarity	NPD5473	Discontinued
0.7862	Intermediate Similarity	NPD4028	Approved
0.7862	Intermediate Similarity	NPD4030	Approved
0.7862	Intermediate Similarity	NPD4029	Approved
0.7847	Intermediate Similarity	NPD1251	Discontinued
0.7834	Intermediate Similarity	NPD1404	Approved
0.7834	Intermediate Similarity	NPD1403	Approved
0.7826	Intermediate Similarity	NPD6828	Phase 2
0.7826	Intermediate Similarity	NPD6827	Clinical (unspecified phase)
0.7812	Intermediate Similarity	NPD2185	Clinical (unspecified phase)
0.7812	Intermediate Similarity	NPD4779	Clinical (unspecified phase)
0.7808	Intermediate Similarity	NPD4880	Discontinued
0.78	Intermediate Similarity	NPD4047	Discontinued
0.7764	Intermediate Similarity	NPD4184	Clinical (unspecified phase)
0.7763	Intermediate Similarity	NPD1528	Clinical (unspecified phase)
0.7756	Intermediate Similarity	NPD3113	Approved
0.7756	Intermediate Similarity	NPD3114	Approved
0.7756	Intermediate Similarity	NPD3112	Approved
0.7756	Intermediate Similarity	NPD3115	Approved
0.775	Intermediate Similarity	NPD2642	Approved
0.775	Intermediate Similarity	NPD2639	Approved
0.7748	Intermediate Similarity	NPD3401	Clinical (unspecified phase)
0.7744	Intermediate Similarity	NPD3505	Approved
0.7744	Intermediate Similarity	NPD3506	Approved
0.774	Intermediate Similarity	NPD3944	Approved
0.774	Intermediate Similarity	NPD3942	Approved
0.773	Intermediate Similarity	NPD4128	Approved
0.7707	Intermediate Similarity	NPD2865	Clinical (unspecified phase)
0.7702	Intermediate Similarity	NPD5069	Clinical (unspecified phase)
0.7697	Intermediate Similarity	NPD4079	Approved
0.7697	Intermediate Similarity	NPD4076	Approved
0.7692	Intermediate Similarity	NPD2165	Phase 1
0.7692	Intermediate Similarity	NPD3486	Clinical (unspecified phase)
0.7682	Intermediate Similarity	NPD2007	Clinical (unspecified phase)
0.7679	Intermediate Similarity	NPD6610	Clinical (unspecified phase)
0.7673	Intermediate Similarity	NPD5315	Discontinued
0.7662	Intermediate Similarity	NPD5538	Clinical (unspecified phase)
0.7654	Intermediate Similarity	NPD1326	Approved
0.7654	Intermediate Similarity	NPD1325	Approved
0.7651	Intermediate Similarity	NPD6277	Clinical (unspecified phase)
0.7643	Intermediate Similarity	NPD268	Approved
0.7643	Intermediate Similarity	NPD270	Clinical (unspecified phase)
0.7643	Intermediate Similarity	NPD271	Approved
0.7636	Intermediate Similarity	NPD6203	Clinical (unspecified phase)
0.7632	Intermediate Similarity	NPD4509	Discontinued
0.7613	Intermediate Similarity	NPD3835	Phase 3
0.7613	Intermediate Similarity	NPD3833	Phase 3
0.7595	Intermediate Similarity	NPD4326	Phase 2
0.7589	Intermediate Similarity	NPD5787	Discontinued
0.756	Intermediate Similarity	NPD3318	Approved
0.756	Intermediate Similarity	NPD5728	Clinical (unspecified phase)
0.756	Intermediate Similarity	NPD3319	Phase 1
0.756	Intermediate Similarity	NPD3320	Approved
0.7557	Intermediate Similarity	NPD4118	Clinical (unspecified phase)
0.7532	Intermediate Similarity	NPD2580	Discontinued
0.753	Intermediate Similarity	NPD2144	Approved
0.7529	Intermediate Similarity	NPD4426	Clinical (unspecified phase)
0.75	Intermediate Similarity	NPD1592	Phase 3
0.75	Intermediate Similarity	NPD5020	Approved
0.75	Intermediate Similarity	NPD3038	Discontinued
0.7485	Intermediate Similarity	NPD3961	Discontinued
0.7485	Intermediate Similarity	NPD5021	Discontinued
0.7484	Intermediate Similarity	NPD1192	Clinical (unspecified phase)
0.7483	Intermediate Similarity	NPD2068	Approved
0.7483	Intermediate Similarity	NPD2071	Approved
0.7483	Intermediate Similarity	NPD2072	Approved
0.7483	Intermediate Similarity	NPD2075	Approved
0.7483	Intermediate Similarity	NPD2070	Approved
0.7483	Intermediate Similarity	NPD2069	Approved
0.7483	Intermediate Similarity	NPD2074	Approved
0.7483	Intermediate Similarity	NPD2073	Approved
0.7481	Intermediate Similarity	NPD3001	Approved
0.7481	Intermediate Similarity	NPD2999	Approved
0.7469	Intermediate Similarity	NPD2915	Discontinued
0.7469	Intermediate Similarity	NPD4550	Clinical (unspecified phase)
0.7469	Intermediate Similarity	NPD1313	Approved
0.7456	Intermediate Similarity	NPD5106	Approved
0.7456	Intermediate Similarity	NPD5105	Approved
0.7453	Intermediate Similarity	NPD2385	Clinical (unspecified phase)
0.7447	Intermediate Similarity	NPD4811	Discontinued
0.744	Intermediate Similarity	NPD6595	Phase 3
0.744	Intermediate Similarity	NPD5962	Phase 2
0.7439	Intermediate Similarity	NPD5436	Phase 1
0.7427	Intermediate Similarity	NPD6217	Discontinued
0.7412	Intermediate Similarity	NPD3607	Clinical (unspecified phase)
0.7407	Intermediate Similarity	NPD5140	Approved
0.7407	Intermediate Similarity	NPD5138	Approved
0.7386	Intermediate Similarity	NPD2960	Clinical (unspecified phase)
0.7384	Intermediate Similarity	NPD5590	Clinical (unspecified phase)
0.7379	Intermediate Similarity	NPD9583	Approved
0.7372	Intermediate Similarity	NPD4703	Approved
0.7372	Intermediate Similarity	NPD4702	Approved
0.7368	Intermediate Similarity	NPD768	Clinical (unspecified phase)
0.7368	Intermediate Similarity	NPD680	Discontinued
0.7358	Intermediate Similarity	NPD6285	Phase 2
0.7356	Intermediate Similarity	NPD6630	Clinical (unspecified phase)
0.7346	Intermediate Similarity	NPD972	Clinical (unspecified phase)
0.7345	Intermediate Similarity	NPD6664	Approved
0.7343	Intermediate Similarity	NPD1561	Phase 2
0.7342	Intermediate Similarity	NPD6476	Clinical (unspecified phase)
0.7342	Intermediate Similarity	NPD6158	Phase 2
0.7342	Intermediate Similarity	NPD2882	Phase 1
0.7337	Intermediate Similarity	NPD8464	Clinical (unspecified phase)
0.733	Intermediate Similarity	NPD7619	Phase 3
0.733	Intermediate Similarity	NPD7618	Phase 3
0.7313	Intermediate Similarity	NPD4114	Approved
0.7313	Intermediate Similarity	NPD4115	Approved
0.7312	Intermediate Similarity	NPD473	Clinical (unspecified phase)
0.7299	Intermediate Similarity	NPD5145	Clinical (unspecified phase)
0.7297	Intermediate Similarity	NPD715	Phase 3
0.7289	Intermediate Similarity	NPD5934	Clinical (unspecified phase)
0.7289	Intermediate Similarity	NPD3116	Approved
0.7289	Intermediate Similarity	NPD3117	Approved
0.7278	Intermediate Similarity	NPD8386	Phase 2
0.7273	Intermediate Similarity	NPD4638	Approved
0.7273	Intermediate Similarity	NPD4640	Approved
0.7273	Intermediate Similarity	NPD4639	Approved
0.7273	Intermediate Similarity	NPD3834	Clinical (unspecified phase)
0.7262	Intermediate Similarity	NPD6375	Clinical (unspecified phase)
0.7256	Intermediate Similarity	NPD509	Phase 3
0.7251	Intermediate Similarity	NPD5596	Phase 2
0.725	Intermediate Similarity	NPD976	Approved
0.725	Intermediate Similarity	NPD977	Approved
0.725	Intermediate Similarity	NPD975	Approved
0.7248	Intermediate Similarity	NPD803	Phase 1
0.7241	Intermediate Similarity	NPD9357	Approved
0.7241	Intermediate Similarity	NPD8110	Clinical (unspecified phase)
0.7239	Intermediate Similarity	NPD3545	Approved
0.7239	Intermediate Similarity	NPD3546	Approved
0.7234	Intermediate Similarity	NPD9396	Approved
0.7234	Intermediate Similarity	NPD9392	Approved
0.7222	Intermediate Similarity	NPD748	Clinical (unspecified phase)
0.7215	Intermediate Similarity	NPD3852	Clinical (unspecified phase)
0.7212	Intermediate Similarity	NPD1248	Discontinued
0.7211	Intermediate Similarity	NPD1598	Discontinued
0.7205	Intermediate Similarity	NPD2927	Phase 3
0.7202	Intermediate Similarity	NPD482	Approved
0.7202	Intermediate Similarity	NPD3799	Suspended
0.7193	Intermediate Similarity	NPD1707	Approved
0.7193	Intermediate Similarity	NPD1708	Approved
0.7193	Intermediate Similarity	NPD4649	Clinical (unspecified phase)
0.7188	Intermediate Similarity	NPD3339	Approved
0.7184	Intermediate Similarity	NPD6141	Clinical (unspecified phase)
0.7184	Intermediate Similarity	NPD8431	Approved
0.7179	Intermediate Similarity	NPD5671	Approved
0.7179	Intermediate Similarity	NPD1918	Clinical (unspecified phase)
0.7178	Intermediate Similarity	NPD6074	Clinical (unspecified phase)
0.7176	Intermediate Similarity	NPD5730	Phase 2
0.7176	Intermediate Similarity	NPD3341	Clinical (unspecified phase)
0.7176	Intermediate Similarity	NPD40	Phase 2
0.7169	Intermediate Similarity	NPD2390	Clinical (unspecified phase)
0.716	Intermediate Similarity	NPD749	Clinical (unspecified phase)
0.716	Intermediate Similarity	NPD5104	Approved
0.7151	Intermediate Similarity	NPD2092	Phase 2
0.7151	Intermediate Similarity	NPD2095	Phase 2

Structure

NPC473868 OpenBabel07101719132D 21 24 0 0 1 0 0 0 0 0999 V2000 5.0776 3.5920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9202 -0.5064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0776 2.5920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4063 1.7671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5848 0.7831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4649 2.1044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8220 0.1365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2116 1.0920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3456 0.5920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7228 2.4930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6977 2.7155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3456 2.5920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6977 0.4685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2116 2.0920 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7020 1.4578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2889 1.5920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8806 0.4739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4796 1.0920 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7228 0.6911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4796 2.0920 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 2 13 2 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 6 15 2 0 0 0 0 7 17 2 0 0 0 0 8 9 1 0 0 0 0 8 14 1 0 0 0 0 9 18 1 0 0 0 0 10 11 1 0 0 0 0 10 16 1 0 0 0 0 11 21 1 0 0 0 0 12 14 1 0 0 0 0 12 21 1 0 0 0 0 13 18 1 0 0 0 0 13 19 1 0 0 0 0 14 3 1 1 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 16 19 2 0 0 0 0 17 20 1 0 0 0 0 18 21 1 6 0 0 0 19 20 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	10612790
ChEMBL	CHEMBL453820
ZINC

Physicochemical Properties

Molecular Weight:	280.19
ALogP:	-0.2421
MLogP:	3.33
XLogP:	4.354
# Rotatable Bonds:	2
Polar Surface Area:	19.03
# H-Bond Aceptor:	2
# H-Bond Donor:	1
# Rings:	4
# Heavy Atoms:	21

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