NPASS Natural Product

Natural Product: NPC473951

Natural Product ID:	NPC473951
Common Name:	Preussomerin Eg1
IUPAC Name:
Synonyms:	Preussomerin EG1
Molecular Formula:	C20H12O6
Standard InCHIKey:	NWZQCHXERIECGW-WOJBJXKFSA-N
Standard InCHI:	InChI=1S/C20H12O6/c21-11-6-8-19-17-10(11)2-1-3-14(17)24-20(26-19)9-7-13(23)16-12(22)4-5-15(25-19)18(16)20/h1-6,8,22H,7,9H2/t19-,20-/m1/s1
Canonical SMILES:	O=C1C=C[C@@]23c4c1cccc4O[C@]1(O3)c3c(O2)ccc(c3C(=O)CC1)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
NPO32660	edenia sp.	Species	Pleosporaceae	Eukaryota		Panamanian		PMID[19007286]

Biological Activity

Activity Type	# Activity
IC50	4
Others	1

Activity Type	# Activity
Cell Line	1
Organism	3
Others	1

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT189	Cell Line	Vero	Chlorocebus aethiops	IC50	=	9000	nM	9625624
NPT6	Organism	Plasmodium falciparum	Plasmodium falciparum	IC50	=	16500	nM	21051535
NPT633	Organism	Leishmania donovani	Leishmania donovani	IC50	=	120	nM	21051535
NPT580	Organism	Trypanosoma cruzi	Trypanosoma cruzi	IC50	>	10000	nM	11678659
NPT2	Others	Unspecified		Ratio IC50	=	75		3735304

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 NPC473951 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	317
0.1-0.2	1311
0.2-0.3	2580
0.3-0.4	6672
0.4-0.5	6618
0.5-0.6	2758
0.6-0.7	5606
0.7-0.8	4834
0.8-0.85	173
0.85-0.9	17
0.9-0.95	1
0.95-1	2

Similarity Score	Similarity Level	Natural Product ID
0.9574	High Similarity	NPC47152
0.9507	High Similarity	NPC301949
0.9366	High Similarity	NPC306816
0.8904	High Similarity	NPC97662
0.8874	High Similarity	NPC57141
0.8849	High Similarity	NPC141549
0.8828	High Similarity	NPC133585
0.8824	High Similarity	NPC193749
0.8777	High Similarity	NPC7569
0.8777	High Similarity	NPC278787
0.871	High Similarity	NPC73148
0.8701	High Similarity	NPC183402
0.8699	High Similarity	NPC197461
0.8662	High Similarity	NPC297404
0.8662	High Similarity	NPC11608
0.8639	High Similarity	NPC257404
0.8621	High Similarity	NPC18457
0.8553	High Similarity	NPC103633
0.8503	High Similarity	NPC145673
0.85	High Similarity	NPC137460
0.8471	Intermediate Similarity	NPC472157
0.8467	Intermediate Similarity	NPC211565
0.8467	Intermediate Similarity	NPC206579
0.8467	Intermediate Similarity	NPC11800
0.8452	Intermediate Similarity	NPC469507
0.8435	Intermediate Similarity	NPC473499
0.8397	Intermediate Similarity	NPC177742
0.8389	Intermediate Similarity	NPC169479
0.8389	Intermediate Similarity	NPC159855
0.8385	Intermediate Similarity	NPC246274
0.8378	Intermediate Similarity	NPC124365
0.8377	Intermediate Similarity	NPC281272
0.8366	Intermediate Similarity	NPC227122
0.8345	Intermediate Similarity	NPC281513
0.8345	Intermediate Similarity	NPC22222
0.8345	Intermediate Similarity	NPC193805
0.8344	Intermediate Similarity	NPC300540
0.8344	Intermediate Similarity	NPC60389
0.8323	Intermediate Similarity	NPC280530
0.8323	Intermediate Similarity	NPC63470
0.8323	Intermediate Similarity	NPC299761
0.8323	Intermediate Similarity	NPC279281
0.8323	Intermediate Similarity	NPC230439
0.8323	Intermediate Similarity	NPC92153
0.8323	Intermediate Similarity	NPC95842
0.8323	Intermediate Similarity	NPC178964
0.8312	Intermediate Similarity	NPC39819
0.8302	Intermediate Similarity	NPC101116
0.8302	Intermediate Similarity	NPC212099
0.8302	Intermediate Similarity	NPC278329
0.8302	Intermediate Similarity	NPC146837
0.8301	Intermediate Similarity	NPC70764
0.8298	Intermediate Similarity	NPC298884
0.8282	Intermediate Similarity	NPC315619
0.828	Intermediate Similarity	NPC67197
0.8269	Intermediate Similarity	NPC55662
0.8269	Intermediate Similarity	NPC166054
0.8264	Intermediate Similarity	NPC118253
0.8258	Intermediate Similarity	NPC474843
0.825	Intermediate Similarity	NPC127415
0.8247	Intermediate Similarity	NPC470107
0.8247	Intermediate Similarity	NPC120105
0.8247	Intermediate Similarity	NPC295036
0.8247	Intermediate Similarity	NPC101957
0.8242	Intermediate Similarity	NPC102053
0.8239	Intermediate Similarity	NPC132737
0.8235	Intermediate Similarity	NPC186397
0.8235	Intermediate Similarity	NPC37135
0.8231	Intermediate Similarity	NPC477534
0.8228	Intermediate Similarity	NPC231475
0.8228	Intermediate Similarity	NPC57072
0.8228	Intermediate Similarity	NPC186113
0.8221	Intermediate Similarity	NPC472160
0.8205	Intermediate Similarity	NPC477691
0.8205	Intermediate Similarity	NPC135522
0.8205	Intermediate Similarity	NPC185103
0.8199	Intermediate Similarity	NPC280923
0.8199	Intermediate Similarity	NPC178281
0.8187	Intermediate Similarity	NPC56735
0.8187	Intermediate Similarity	NPC61594
0.8182	Intermediate Similarity	NPC223988
0.8182	Intermediate Similarity	NPC3718
0.8182	Intermediate Similarity	NPC266499
0.8176	Intermediate Similarity	NPC328093
0.817	Intermediate Similarity	NPC71055
0.817	Intermediate Similarity	NPC46941
0.8169	Intermediate Similarity	NPC71525
0.8165	Intermediate Similarity	NPC474398
0.8165	Intermediate Similarity	NPC474401
0.8165	Intermediate Similarity	NPC474441
0.8165	Intermediate Similarity	NPC476026
0.8163	Intermediate Similarity	NPC141934
0.816	Intermediate Similarity	NPC222455
0.8153	Intermediate Similarity	NPC3898
0.8148	Intermediate Similarity	NPC475174
0.8146	Intermediate Similarity	NPC310340
0.8144	Intermediate Similarity	NPC58538
0.8141	Intermediate Similarity	NPC477690
0.8141	Intermediate Similarity	NPC215811
0.8137	Intermediate Similarity	NPC475183
0.8137	Intermediate Similarity	NPC147596
0.8133	Intermediate Similarity	NPC314489
0.8133	Intermediate Similarity	NPC475246
0.8133	Intermediate Similarity	NPC232818
0.8133	Intermediate Similarity	NPC275734
0.8133	Intermediate Similarity	NPC198893
0.8129	Intermediate Similarity	NPC93619
0.8129	Intermediate Similarity	NPC475890
0.8121	Intermediate Similarity	NPC1268
0.8121	Intermediate Similarity	NPC59491
0.8121	Intermediate Similarity	NPC85368
0.8121	Intermediate Similarity	NPC203751
0.8121	Intermediate Similarity	NPC24748
0.8117	Intermediate Similarity	NPC106328
0.8117	Intermediate Similarity	NPC5537
0.8117	Intermediate Similarity	NPC35150
0.8113	Intermediate Similarity	NPC474290
0.8108	Intermediate Similarity	NPC471542
0.8099	Intermediate Similarity	NPC96915
0.8092	Intermediate Similarity	NPC89664
0.8092	Intermediate Similarity	NPC274085
0.8089	Intermediate Similarity	NPC89474
0.8086	Intermediate Similarity	NPC99216
0.8082	Intermediate Similarity	NPC287533
0.8082	Intermediate Similarity	NPC477536
0.8079	Intermediate Similarity	NPC329493
0.8079	Intermediate Similarity	NPC69755
0.8077	Intermediate Similarity	NPC202157
0.8075	Intermediate Similarity	NPC329760
0.8075	Intermediate Similarity	NPC473961
0.8072	Intermediate Similarity	NPC472158
0.8072	Intermediate Similarity	NPC307754
0.8072	Intermediate Similarity	NPC223735
0.8069	Intermediate Similarity	NPC137264
0.8067	Intermediate Similarity	NPC477537
0.8065	Intermediate Similarity	NPC294502
0.8065	Intermediate Similarity	NPC200221
0.8065	Intermediate Similarity	NPC10027
0.8065	Intermediate Similarity	NPC65775
0.8063	Intermediate Similarity	NPC200746
0.8063	Intermediate Similarity	NPC139036
0.8052	Intermediate Similarity	NPC4958
0.8052	Intermediate Similarity	NPC83975
0.8052	Intermediate Similarity	NPC140722
0.8052	Intermediate Similarity	NPC92054
0.805	Intermediate Similarity	NPC477833
0.8042	Intermediate Similarity	NPC45537
0.8042	Intermediate Similarity	NPC470841
0.8041	Intermediate Similarity	NPC472881
0.8039	Intermediate Similarity	NPC184649
0.8039	Intermediate Similarity	NPC469764
0.8039	Intermediate Similarity	NPC131766
0.8039	Intermediate Similarity	NPC478019
0.8039	Intermediate Similarity	NPC303185
0.8037	Intermediate Similarity	NPC175082
0.8037	Intermediate Similarity	NPC472449
0.8037	Intermediate Similarity	NPC472150
0.8037	Intermediate Similarity	NPC70441
0.8028	Intermediate Similarity	NPC224657
0.8026	Intermediate Similarity	NPC476473
0.8025	Intermediate Similarity	NPC17432
0.8025	Intermediate Similarity	NPC75069
0.8025	Intermediate Similarity	NPC473967
0.8024	Intermediate Similarity	NPC66820
0.8024	Intermediate Similarity	NPC289876
0.8024	Intermediate Similarity	NPC101991
0.8024	Intermediate Similarity	NPC92403
0.8024	Intermediate Similarity	NPC46958
0.8024	Intermediate Similarity	NPC272656
0.8024	Intermediate Similarity	NPC170018
0.8024	Intermediate Similarity	NPC76112
0.8014	Intermediate Similarity	NPC93730
0.8013	Intermediate Similarity	NPC471984
0.8013	Intermediate Similarity	NPC325983
0.8013	Intermediate Similarity	NPC294646
0.8012	Intermediate Similarity	NPC162668
0.8012	Intermediate Similarity	NPC175513
0.8	Intermediate Similarity	NPC471416
0.8	Intermediate Similarity	NPC19273
0.8	Intermediate Similarity	NPC224557
0.8	Intermediate Similarity	NPC12367
0.8	Intermediate Similarity	NPC118726
0.8	Intermediate Similarity	NPC472159
0.8	Intermediate Similarity	NPC276930
0.8	Intermediate Similarity	NPC17884
0.8	Intermediate Similarity	NPC472156
0.8	Intermediate Similarity	NPC280385
0.8	Intermediate Similarity	NPC34287
0.8	Intermediate Similarity	NPC44558
0.8	Intermediate Similarity	NPC194856
0.8	Intermediate Similarity	NPC115998
0.8	Intermediate Similarity	NPC39753
0.8	Intermediate Similarity	NPC292706
0.7988	Intermediate Similarity	NPC475161
0.7988	Intermediate Similarity	NPC477860
0.7987	Intermediate Similarity	NPC472453
0.7987	Intermediate Similarity	NPC308799
0.7987	Intermediate Similarity	NPC274730
0.7987	Intermediate Similarity	NPC142339
0.7987	Intermediate Similarity	NPC299011

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC473951 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	322
0.1-0.2	948
0.2-0.3	1404
0.3-0.4	2578
0.4-0.5	2088
0.5-0.6	1257
0.6-0.7	405
0.7-0.8	151
0.8-0.85	8
0.85-0.9	0
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.8425	Intermediate Similarity	NPD2346	Discontinued
0.8156	Intermediate Similarity	NPD1203	Approved
0.8133	Intermediate Similarity	NPD3750	Approved
0.8125	Intermediate Similarity	NPD2313	Discontinued
0.8108	Intermediate Similarity	NPD2935	Discontinued
0.8065	Intermediate Similarity	NPD3226	Approved
0.8024	Intermediate Similarity	NPD8313	Approved
0.8024	Intermediate Similarity	NPD8312	Approved
0.7988	Intermediate Similarity	NPD3751	Discontinued
0.7972	Intermediate Similarity	NPD2798	Approved
0.7937	Intermediate Similarity	NPD3749	Approved
0.7838	Intermediate Similarity	NPD1933	Approved
0.7838	Intermediate Similarity	NPD447	Suspended
0.7834	Intermediate Similarity	NPD5808	Clinical (unspecified phase)
0.7826	Intermediate Similarity	NPD4381	Clinical (unspecified phase)
0.7817	Intermediate Similarity	NPD9717	Approved
0.7812	Intermediate Similarity	NPD5402	Approved
0.78	Intermediate Similarity	NPD3748	Approved
0.78	Intermediate Similarity	NPD2799	Discontinued
0.7791	Intermediate Similarity	NPD6959	Discontinued
0.7778	Intermediate Similarity	NPD1470	Approved
0.7763	Intermediate Similarity	NPD1549	Phase 2
0.775	Intermediate Similarity	NPD2801	Approved
0.775	Intermediate Similarity	NPD7819	Suspended
0.7746	Intermediate Similarity	NPD1547	Clinical (unspecified phase)
0.7742	Intermediate Similarity	NPD1511	Approved
0.7725	Intermediate Similarity	NPD7054	Approved
0.7718	Intermediate Similarity	NPD1899	Clinical (unspecified phase)
0.7701	Intermediate Similarity	NPD7879	Clinical (unspecified phase)
0.7698	Intermediate Similarity	NPD405	Clinical (unspecified phase)
0.7697	Intermediate Similarity	NPD1550	Clinical (unspecified phase)
0.7697	Intermediate Similarity	NPD2344	Approved
0.7697	Intermediate Similarity	NPD1552	Clinical (unspecified phase)
0.7688	Intermediate Similarity	NPD6844	Discontinued
0.7679	Intermediate Similarity	NPD7472	Approved
0.7679	Intermediate Similarity	NPD7074	Phase 3
0.7662	Intermediate Similarity	NPD1878	Clinical (unspecified phase)
0.7647	Intermediate Similarity	NPD4338	Clinical (unspecified phase)
0.7643	Intermediate Similarity	NPD1512	Approved
0.7636	Intermediate Similarity	NPD3787	Discontinued
0.7635	Intermediate Similarity	NPD411	Approved
0.7633	Intermediate Similarity	NPD6797	Phase 2
0.7632	Intermediate Similarity	NPD1551	Phase 2
0.7622	Intermediate Similarity	NPD1201	Approved
0.7619	Intermediate Similarity	NPD6832	Phase 2
0.7588	Intermediate Similarity	NPD7251	Discontinued
0.7586	Intermediate Similarity	NPD8397	Clinical (unspecified phase)
0.758	Intermediate Similarity	NPD4378	Clinical (unspecified phase)
0.758	Intermediate Similarity	NPD7410	Clinical (unspecified phase)
0.7578	Intermediate Similarity	NPD1934	Approved
0.7566	Intermediate Similarity	NPD1510	Phase 2
0.7566	Intermediate Similarity	NPD4308	Phase 3
0.756	Intermediate Similarity	NPD3818	Discontinued
0.7545	Intermediate Similarity	NPD6167	Clinical (unspecified phase)
0.7545	Intermediate Similarity	NPD6168	Clinical (unspecified phase)
0.7545	Intermediate Similarity	NPD6166	Phase 2
0.7544	Intermediate Similarity	NPD7808	Phase 3
0.7534	Intermediate Similarity	NPD2797	Approved
0.7532	Intermediate Similarity	NPD970	Clinical (unspecified phase)
0.7531	Intermediate Similarity	NPD1465	Phase 2
0.7531	Intermediate Similarity	NPD2393	Clinical (unspecified phase)
0.7517	Intermediate Similarity	NPD3268	Approved
0.7516	Intermediate Similarity	NPD7411	Suspended
0.7515	Intermediate Similarity	NPD7804	Clinical (unspecified phase)
0.7515	Intermediate Similarity	NPD5494	Approved
0.75	Intermediate Similarity	NPD2309	Approved
0.7485	Intermediate Similarity	NPD8443	Clinical (unspecified phase)
0.7453	Intermediate Similarity	NPD4380	Phase 2
0.744	Intermediate Similarity	NPD7852	Clinical (unspecified phase)
0.7439	Intermediate Similarity	NPD4868	Clinical (unspecified phase)
0.7439	Intermediate Similarity	NPD7768	Phase 2
0.7417	Intermediate Similarity	NPD1240	Approved
0.7412	Intermediate Similarity	NPD5844	Phase 1
0.7403	Intermediate Similarity	NPD6780	Approved
0.7403	Intermediate Similarity	NPD6778	Approved
0.7403	Intermediate Similarity	NPD6776	Approved
0.7403	Intermediate Similarity	NPD5408	Approved
0.7403	Intermediate Similarity	NPD5404	Approved
0.7403	Intermediate Similarity	NPD6782	Approved
0.7403	Intermediate Similarity	NPD5405	Approved
0.7403	Intermediate Similarity	NPD6781	Approved
0.7403	Intermediate Similarity	NPD6777	Approved
0.7403	Intermediate Similarity	NPD5406	Approved
0.7403	Intermediate Similarity	NPD6779	Approved
0.74	Intermediate Similarity	NPD3764	Approved
0.7384	Intermediate Similarity	NPD6559	Discontinued
0.7377	Intermediate Similarity	NPD7697	Approved
0.7377	Intermediate Similarity	NPD7696	Phase 3
0.7377	Intermediate Similarity	NPD7698	Approved
0.7375	Intermediate Similarity	NPD5403	Approved
0.7358	Intermediate Similarity	NPD5401	Approved
0.7347	Intermediate Similarity	NPD3225	Approved
0.7338	Intermediate Similarity	NPD1509	Clinical (unspecified phase)
0.7333	Intermediate Similarity	NPD3882	Suspended
0.7329	Intermediate Similarity	NPD1481	Phase 2
0.7325	Intermediate Similarity	NPD7003	Approved
0.7325	Intermediate Similarity	NPD6398	Clinical (unspecified phase)
0.7324	Intermediate Similarity	NPD9493	Approved
0.7322	Intermediate Similarity	NPD6823	Phase 2
0.7321	Intermediate Similarity	NPD6232	Discontinued
0.732	Intermediate Similarity	NPD1607	Approved
0.7303	Intermediate Similarity	NPD4307	Phase 2
0.7297	Intermediate Similarity	NPD3267	Approved
0.7297	Intermediate Similarity	NPD3266	Approved
0.7294	Intermediate Similarity	NPD7473	Discontinued
0.729	Intermediate Similarity	NPD2796	Approved
0.7289	Intermediate Similarity	NPD7075	Discontinued
0.7284	Intermediate Similarity	NPD7458	Discontinued
0.7283	Intermediate Similarity	NPD7435	Discontinued
0.7261	Intermediate Similarity	NPD2800	Approved
0.7261	Intermediate Similarity	NPD7421	Clinical (unspecified phase)
0.726	Intermediate Similarity	NPD1535	Discovery
0.725	Intermediate Similarity	NPD7004	Clinical (unspecified phase)
0.7248	Intermediate Similarity	NPD1019	Discontinued
0.7244	Intermediate Similarity	NPD2343	Clinical (unspecified phase)
0.7244	Intermediate Similarity	NPD1471	Phase 3
0.7243	Intermediate Similarity	NPD7870	Phase 2
0.7243	Intermediate Similarity	NPD7871	Phase 2
0.7225	Intermediate Similarity	NPD7993	Clinical (unspecified phase)
0.7219	Intermediate Similarity	NPD7701	Phase 2
0.7212	Intermediate Similarity	NPD7096	Clinical (unspecified phase)
0.7205	Intermediate Similarity	NPD6273	Approved
0.7188	Intermediate Similarity	NPD7390	Discontinued
0.7188	Intermediate Similarity	NPD6799	Approved
0.7179	Intermediate Similarity	NPD6100	Approved
0.7179	Intermediate Similarity	NPD6099	Approved
0.7175	Intermediate Similarity	NPD8150	Discontinued
0.7169	Intermediate Similarity	NPD3817	Phase 2
0.7169	Intermediate Similarity	NPD4288	Approved
0.7167	Intermediate Similarity	NPD6214	Clinical (unspecified phase)
0.7167	Intermediate Similarity	NPD6213	Phase 3
0.7167	Intermediate Similarity	NPD6212	Phase 3
0.7143	Intermediate Similarity	NPD2533	Approved
0.7143	Intermediate Similarity	NPD2534	Approved
0.7143	Intermediate Similarity	NPD2532	Approved
0.7133	Intermediate Similarity	NPD6671	Approved
0.7127	Intermediate Similarity	NPD6535	Approved
0.7127	Intermediate Similarity	NPD6534	Approved
0.7108	Intermediate Similarity	NPD8455	Phase 2
0.7105	Intermediate Similarity	NPD7783	Phase 2
0.7105	Intermediate Similarity	NPD7782	Clinical (unspecified phase)
0.7104	Intermediate Similarity	NPD7699	Phase 2
0.7104	Intermediate Similarity	NPD7700	Phase 2
0.7095	Intermediate Similarity	NPD1608	Approved
0.7078	Intermediate Similarity	NPD943	Approved
0.7075	Intermediate Similarity	NPD3496	Discontinued
0.7067	Intermediate Similarity	NPD1164	Approved
0.7053	Intermediate Similarity	NPD7874	Approved
0.7053	Intermediate Similarity	NPD7875	Clinical (unspecified phase)
0.703	Intermediate Similarity	NPD6599	Discontinued
0.7027	Intermediate Similarity	NPD1611	Approved
0.7019	Intermediate Similarity	NPD3300	Phase 2
0.7016	Intermediate Similarity	NPD7801	Approved
0.7013	Intermediate Similarity	NPD6233	Phase 2
0.7006	Intermediate Similarity	NPD651	Clinical (unspecified phase)
0.7	Intermediate Similarity	NPD74	Approved
0.7	Intermediate Similarity	NPD4287	Approved
0.7	Intermediate Similarity	NPD1876	Approved
0.7	Intermediate Similarity	NPD9266	Approved
0.6993	Remote Similarity	NPD4625	Phase 3
0.6993	Remote Similarity	NPD1241	Discontinued
0.6974	Remote Similarity	NPD2861	Phase 2
0.6964	Remote Similarity	NPD2296	Approved
0.6954	Remote Similarity	NPD7228	Approved
0.6946	Remote Similarity	NPD6801	Discontinued
0.6929	Remote Similarity	NPD9263	Approved
0.6929	Remote Similarity	NPD9264	Approved
0.6929	Remote Similarity	NPD9267	Approved
0.6928	Remote Similarity	NPD4908	Phase 1
0.6928	Remote Similarity	NPD6585	Discontinued
0.6927	Remote Similarity	NPD8055	Clinical (unspecified phase)
0.6914	Remote Similarity	NPD7440	Discontinued
0.6911	Remote Similarity	NPD8151	Discontinued
0.6909	Remote Similarity	NPD2370	Clinical (unspecified phase)
0.6899	Remote Similarity	NPD3299	Clinical (unspecified phase)
0.6894	Remote Similarity	NPD4628	Phase 3
0.6892	Remote Similarity	NPD17	Approved
0.6887	Remote Similarity	NPD1283	Approved
0.6886	Remote Similarity	NPD5889	Approved
0.6886	Remote Similarity	NPD5890	Approved
0.6871	Remote Similarity	NPD6143	Clinical (unspecified phase)
0.6867	Remote Similarity	NPD2649	Approved
0.6867	Remote Similarity	NPD2651	Approved
0.6859	Remote Similarity	NPD4060	Phase 1
0.6857	Remote Similarity	NPD968	Approved
0.6857	Remote Similarity	NPD7177	Discontinued
0.6848	Remote Similarity	NPD920	Approved
0.6848	Remote Similarity	NPD6980	Clinical (unspecified phase)
0.6845	Remote Similarity	NPD37	Approved
0.6842	Remote Similarity	NPD6234	Discontinued
0.6839	Remote Similarity	NPD4907	Clinical (unspecified phase)
0.6839	Remote Similarity	NPD6859	Clinical (unspecified phase)
0.6839	Remote Similarity	NPD6798	Discontinued
0.6835	Remote Similarity	NPD7097	Phase 1
0.6832	Remote Similarity	NPD1243	Approved
0.6829	Remote Similarity	NPD642	Clinical (unspecified phase)
0.6824	Remote Similarity	NPD4965	Approved
0.6824	Remote Similarity	NPD4967	Phase 2
0.6824	Remote Similarity	NPD4966	Approved
0.6821	Remote Similarity	NPD4749	Approved

Structure

NPC473951 OpenBabel07101719132D 26 31 0 0 1 0 0 0 0 0999 V2000 -0.7366 -3.2272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6026 -2.7272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1294 -2.7272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1359 -2.2150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3172 -1.7945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4686 -0.2272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3749 -0.7897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6026 0.2728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0915 -0.4342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6026 -1.7272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4686 -1.2272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7266 -2.0328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2738 -1.2329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1294 -1.7272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1796 -1.1919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8642 -1.4301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7366 -1.2272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4111 -1.0097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7366 -0.2272 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6369 -0.4342 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.3347 -1.7272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4597 -2.7130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0556 -1.8564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6945 -1.2029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6904 -0.8436 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 2 2 0 0 0 0 1 3 1 0 0 0 0 2 10 1 0 0 0 0 3 14 2 0 0 0 0 4 5 2 0 0 0 0 4 12 1 0 0 0 0 5 15 1 0 0 0 0 6 8 2 0 0 0 0 6 11 1 0 0 0 0 7 9 1 0 0 0 0 7 13 1 0 0 0 0 10 11 1 0 0 0 0 10 17 2 0 0 0 0 11 21 2 0 0 0 0 12 16 2 0 0 0 0 12 22 1 0 0 0 0 13 16 1 0 0 0 0 13 23 2 0 0 0 0 14 17 1 0 0 0 0 14 24 1 0 0 0 0 15 18 2 0 0 0 0 15 25 1 0 0 0 0 16 18 1 0 0 0 0 17 19 1 0 0 0 0 18 20 1 0 0 0 0 19 8 1 6 0 0 0 19 25 1 0 0 0 0 19 26 1 0 0 0 0 20 9 1 6 0 0 0 20 24 1 0 0 0 0 20 26 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	24853973
ChEMBL	CHEMBL455995
ZINC

Physicochemical Properties

Molecular Weight:	348.06
ALogP:	-1.3023
MLogP:	3
XLogP:	1.44
# Rotatable Bonds:	1
Polar Surface Area:	82.06
# H-Bond Aceptor:	3
# H-Bond Donor:	1
# Rings:	6
# Heavy Atoms:	26

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