NPASS Natural Product

Natural Product: NPC290038

Natural Product ID:	NPC290038
Common Name:	Taepeenin A
IUPAC Name:	methyl (4R,4aR,11bS)-4,7,11b-trimethyl-1,2,3,4a,5,6-hexahydronaphtho[2,1-f][1]benzofuran-4-carboxylate
Synonyms:
Molecular Formula:	C21H26O3
Standard InCHIKey:	ZWGUMZQPAPPDMV-HMXCVIKNSA-N
Standard InCHI:	InChI=1S/C21H26O3/c1-13-14-6-7-18-20(2,9-5-10-21(18,3)19(22)23-4)16(14)12-17-15(13)8-11-24-17/h8,11-12,18H,5-7,9-10H2,1-4H3/t18-,20-,21-/m1/s1
Canonical SMILES:	COC(=O)[C@]1(C)CCC[C@]2([C@H]1CCc1c2cc2c(c1C)cco2)C
First Find Year:
Max Developmental Stage:
Synthetic Gene Cluster:	;

Species Source

Organism ID	Organism Name	Taxonomy Level	Family	SuperKingdom	Isolation Part	Reference
NPO18156	Andrographis lineata	Species	Acanthaceae	Eukaryota		UNPD*
NPO32931	pterolobium macropterum	Species	Fabaceae	Eukaryota	Root barks	PMID[25337628]
NPO7358	Xanthoparmelia verrucigera	Species	Parmeliaceae	Eukaryota		UNPD*
NPO3816	Aspergillus sulphureus	Species	Aspergillaceae	Eukaryota		UNPD*
NPO19115	Hoya australis	Species	Apocynaceae	Eukaryota		UNPD*
NPO529	Thalictrum glaucum	Species	Ranunculaceae	Eukaryota		UNPD*
NPO18970	Baccharis patagonica	Species	Asteraceae	Eukaryota		UNPD*
NPO22703	Lithoplocamia lithistoides	NA	NA	NA		UNPD*

Biological Activity

Activity Type	# Activity
IC50	4

Activity Type	# Activity
Cell Line	1
Others	3

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT2	Others	Unspecified		IC50	=	80080	nM	25337628
NPT2	Others	Unspecified		IC50	=	144230	nM	25337628
NPT2	Others	Unspecified		IC50	=	70610	nM	25337628
NPT189	Cell Line	Vero	Chlorocebus aethiops	IC50	=	57560	nM	25337628

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 NPC290038 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	269
0.1-0.2	1298
0.2-0.3	2022
0.3-0.4	5377
0.4-0.5	7814
0.5-0.6	3583
0.6-0.7	7254
0.7-0.8	3130
0.8-0.85	114
0.85-0.9	17
0.9-0.95	9
0.95-1	2

Similarity Score	Similarity Level	Natural Product ID
0.9716	High Similarity	NPC95526
0.9648	High Similarity	NPC472298
0.9448	High Similarity	NPC44606
0.9184	High Similarity	NPC10429
0.9143	High Similarity	NPC233707
0.9137	High Similarity	NPC307401
0.9133	High Similarity	NPC472299
0.913	High Similarity	NPC209858
0.913	High Similarity	NPC324117
0.9067	High Similarity	NPC123153
0.9007	High Similarity	NPC202260
0.8792	High Similarity	NPC144010
0.8774	High Similarity	NPC308156
0.8718	High Similarity	NPC41689
0.8707	High Similarity	NPC478166
0.8699	High Similarity	NPC158871
0.8662	High Similarity	NPC291742
0.8662	High Similarity	NPC255787
0.8649	High Similarity	NPC281398
0.8643	High Similarity	NPC164295
0.8582	High Similarity	NPC183103
0.8581	High Similarity	NPC233763
0.8561	High Similarity	NPC59502
0.8523	High Similarity	NPC71821
0.8514	High Similarity	NPC245522
0.8514	High Similarity	NPC114513
0.8511	High Similarity	NPC279596
0.8511	High Similarity	NPC239134
0.8491	Intermediate Similarity	NPC472660
0.8451	Intermediate Similarity	NPC293253
0.8435	Intermediate Similarity	NPC263337
0.8431	Intermediate Similarity	NPC24232
0.8425	Intermediate Similarity	NPC476191
0.8389	Intermediate Similarity	NPC27798
0.8389	Intermediate Similarity	NPC93241
0.8377	Intermediate Similarity	NPC25351
0.8377	Intermediate Similarity	NPC179170
0.8366	Intermediate Similarity	NPC145830
0.8355	Intermediate Similarity	NPC228842
0.8355	Intermediate Similarity	NPC212257
0.8344	Intermediate Similarity	NPC478163
0.8333	Intermediate Similarity	NPC178382
0.8333	Intermediate Similarity	NPC158542
0.8322	Intermediate Similarity	NPC117674
0.8293	Intermediate Similarity	NPC472661
0.8289	Intermediate Similarity	NPC192069
0.8288	Intermediate Similarity	NPC186647
0.8286	Intermediate Similarity	NPC474737
0.8273	Intermediate Similarity	NPC75432
0.8269	Intermediate Similarity	NPC7059
0.8267	Intermediate Similarity	NPC56731
0.8264	Intermediate Similarity	NPC470406
0.8261	Intermediate Similarity	NPC16922
0.8252	Intermediate Similarity	NPC470976
0.8252	Intermediate Similarity	NPC196979
0.8252	Intermediate Similarity	NPC470977
0.8247	Intermediate Similarity	NPC294511
0.8247	Intermediate Similarity	NPC121615
0.8227	Intermediate Similarity	NPC428300
0.8219	Intermediate Similarity	NPC471670
0.8214	Intermediate Similarity	NPC74612
0.8205	Intermediate Similarity	NPC478161
0.8205	Intermediate Similarity	NPC478159
0.82	Intermediate Similarity	NPC472840
0.8182	Intermediate Similarity	NPC13282
0.8182	Intermediate Similarity	NPC282230
0.8182	Intermediate Similarity	NPC183348
0.8176	Intermediate Similarity	NPC56197
0.817	Intermediate Similarity	NPC266743
0.817	Intermediate Similarity	NPC127827
0.8169	Intermediate Similarity	NPC198904
0.8169	Intermediate Similarity	NPC50583
0.8165	Intermediate Similarity	NPC218818
0.8165	Intermediate Similarity	NPC4950
0.8165	Intermediate Similarity	NPC477692
0.8165	Intermediate Similarity	NPC239118
0.8165	Intermediate Similarity	NPC8389
0.8163	Intermediate Similarity	NPC471542
0.8158	Intermediate Similarity	NPC286038
0.8155	Intermediate Similarity	NPC472662
0.8155	Intermediate Similarity	NPC472663
0.8153	Intermediate Similarity	NPC221992
0.8146	Intermediate Similarity	NPC308006
0.8146	Intermediate Similarity	NPC260152
0.8143	Intermediate Similarity	NPC179354
0.8141	Intermediate Similarity	NPC88958
0.8133	Intermediate Similarity	NPC470273
0.8125	Intermediate Similarity	NPC15083
0.8121	Intermediate Similarity	NPC472523
0.8117	Intermediate Similarity	NPC261322
0.8117	Intermediate Similarity	NPC474305
0.8116	Intermediate Similarity	NPC97566
0.8113	Intermediate Similarity	NPC471003
0.8113	Intermediate Similarity	NPC79571
0.8112	Intermediate Similarity	NPC170546
0.8112	Intermediate Similarity	NPC57552
0.8112	Intermediate Similarity	NPC66246
0.8105	Intermediate Similarity	NPC93666
0.8105	Intermediate Similarity	NPC66991
0.8105	Intermediate Similarity	NPC150215
0.8089	Intermediate Similarity	NPC41880
0.8089	Intermediate Similarity	NPC104736
0.8085	Intermediate Similarity	NPC470858
0.8085	Intermediate Similarity	NPC46536
0.8085	Intermediate Similarity	NPC138139
0.8082	Intermediate Similarity	NPC265793
0.8082	Intermediate Similarity	NPC213122
0.8077	Intermediate Similarity	NPC27615
0.8067	Intermediate Similarity	NPC149780
0.8065	Intermediate Similarity	NPC474660
0.8063	Intermediate Similarity	NPC14499
0.8063	Intermediate Similarity	NPC476035
0.8063	Intermediate Similarity	NPC475039
0.8058	Intermediate Similarity	NPC36255
0.8056	Intermediate Similarity	NPC298190
0.8056	Intermediate Similarity	NPC249425
0.8054	Intermediate Similarity	NPC148374
0.8052	Intermediate Similarity	NPC474306
0.8052	Intermediate Similarity	NPC475848
0.8042	Intermediate Similarity	NPC208389
0.8041	Intermediate Similarity	NPC290601
0.8041	Intermediate Similarity	NPC130976
0.8039	Intermediate Similarity	NPC39361
0.8039	Intermediate Similarity	NPC224418
0.8039	Intermediate Similarity	NPC473927
0.8038	Intermediate Similarity	NPC195954
0.8038	Intermediate Similarity	NPC81405
0.8038	Intermediate Similarity	NPC88007
0.8038	Intermediate Similarity	NPC304692
0.8038	Intermediate Similarity	NPC194499
0.8037	Intermediate Similarity	NPC473945
0.8028	Intermediate Similarity	NPC177925
0.8028	Intermediate Similarity	NPC474264
0.8026	Intermediate Similarity	NPC471305
0.8025	Intermediate Similarity	NPC279768
0.8014	Intermediate Similarity	NPC471074
0.8014	Intermediate Similarity	NPC473885
0.8014	Intermediate Similarity	NPC111088
0.8013	Intermediate Similarity	NPC48671
0.8	Intermediate Similarity	NPC21046
0.8	Intermediate Similarity	NPC475722
0.8	Intermediate Similarity	NPC301717
0.7987	Intermediate Similarity	NPC140952
0.7987	Intermediate Similarity	NPC474611
0.7987	Intermediate Similarity	NPC10051
0.7987	Intermediate Similarity	NPC474722
0.7987	Intermediate Similarity	NPC299094
0.7987	Intermediate Similarity	NPC62735
0.7975	Intermediate Similarity	NPC298071
0.7975	Intermediate Similarity	NPC3898
0.7974	Intermediate Similarity	NPC62799
0.7974	Intermediate Similarity	NPC208584
0.7973	Intermediate Similarity	NPC215109
0.7973	Intermediate Similarity	NPC278832
0.7973	Intermediate Similarity	NPC64157
0.7973	Intermediate Similarity	NPC170604
0.7972	Intermediate Similarity	NPC112706
0.7972	Intermediate Similarity	NPC476917
0.7972	Intermediate Similarity	NPC207294
0.7972	Intermediate Similarity	NPC327527
0.7971	Intermediate Similarity	NPC137710
0.7964	Intermediate Similarity	NPC295914
0.7963	Intermediate Similarity	NPC132054
0.7963	Intermediate Similarity	NPC277618
0.7962	Intermediate Similarity	NPC282793
0.7962	Intermediate Similarity	NPC477690
0.7962	Intermediate Similarity	NPC471863
0.7961	Intermediate Similarity	NPC199044
0.7961	Intermediate Similarity	NPC238843
0.7959	Intermediate Similarity	NPC1249
0.7959	Intermediate Similarity	NPC274876
0.795	Intermediate Similarity	NPC24761
0.7949	Intermediate Similarity	NPC472406
0.7949	Intermediate Similarity	NPC191104
0.7949	Intermediate Similarity	NPC140133
0.7949	Intermediate Similarity	NPC473466
0.7943	Intermediate Similarity	NPC141252
0.7943	Intermediate Similarity	NPC83115
0.7943	Intermediate Similarity	NPC11799
0.7943	Intermediate Similarity	NPC130275
0.7937	Intermediate Similarity	NPC287559
0.7937	Intermediate Similarity	NPC226287
0.7935	Intermediate Similarity	NPC24193
0.7935	Intermediate Similarity	NPC472839
0.7933	Intermediate Similarity	NPC470407
0.7931	Intermediate Similarity	NPC61788
0.7931	Intermediate Similarity	NPC475092
0.7931	Intermediate Similarity	NPC245395
0.7925	Intermediate Similarity	NPC261484
0.7925	Intermediate Similarity	NPC239113
0.7925	Intermediate Similarity	NPC115123
0.7922	Intermediate Similarity	NPC216755
0.7919	Intermediate Similarity	NPC476943
0.7914	Intermediate Similarity	NPC246214
0.7911	Intermediate Similarity	NPC54179
0.7911	Intermediate Similarity	NPC477691
0.7911	Intermediate Similarity	NPC469966
0.7911	Intermediate Similarity	NPC290927
0.7908	Intermediate Similarity	NPC189650
0.7908	Intermediate Similarity	NPC247221

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC290038 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	276
0.1-0.2	1035
0.2-0.3	1164
0.3-0.4	2347
0.4-0.5	2285
0.5-0.6	1311
0.6-0.7	582
0.7-0.8	151
0.8-0.85	10
0.85-0.9	0
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.8483	Intermediate Similarity	NPD2343	Clinical (unspecified phase)
0.8435	Intermediate Similarity	NPD7003	Approved
0.84	Intermediate Similarity	NPD6273	Approved
0.8323	Intermediate Similarity	NPD5616	Clinical (unspecified phase)
0.8252	Intermediate Similarity	NPD8032	Phase 2
0.8188	Intermediate Similarity	NPD1281	Approved
0.8117	Intermediate Similarity	NPD5808	Clinical (unspecified phase)
0.8108	Intermediate Similarity	NPD2346	Discontinued
0.8069	Intermediate Similarity	NPD2979	Phase 3
0.8014	Intermediate Similarity	NPD1283	Approved
0.7973	Intermediate Similarity	NPD2799	Discontinued
0.7971	Intermediate Similarity	NPD1651	Approved
0.7971	Intermediate Similarity	NPD5691	Approved
0.7885	Intermediate Similarity	NPD7458	Discontinued
0.7881	Intermediate Similarity	NPD7421	Clinical (unspecified phase)
0.7872	Intermediate Similarity	NPD3972	Approved
0.7871	Intermediate Similarity	NPD920	Approved
0.7843	Intermediate Similarity	NPD643	Clinical (unspecified phase)
0.78	Intermediate Similarity	NPD2531	Phase 2
0.78	Intermediate Similarity	NPD2438	Suspended
0.7799	Intermediate Similarity	NPD7819	Suspended
0.7771	Intermediate Similarity	NPD3226	Approved
0.7762	Intermediate Similarity	NPD1876	Approved
0.7742	Intermediate Similarity	NPD642	Clinical (unspecified phase)
0.7733	Intermediate Similarity	NPD3748	Approved
0.7712	Intermediate Similarity	NPD4628	Phase 3
0.7703	Intermediate Similarity	NPD4140	Approved
0.766	Intermediate Similarity	NPD4626	Approved
0.766	Intermediate Similarity	NPD3412	Clinical (unspecified phase)
0.7647	Intermediate Similarity	NPD1243	Approved
0.7633	Intermediate Similarity	NPD6559	Discontinued
0.7632	Intermediate Similarity	NPD1471	Phase 3
0.7632	Intermediate Similarity	NPD2344	Approved
0.7628	Intermediate Similarity	NPD7004	Clinical (unspecified phase)
0.7607	Intermediate Similarity	NPD919	Approved
0.7589	Intermediate Similarity	NPD5585	Approved
0.7584	Intermediate Similarity	NPD4307	Phase 2
0.7569	Intermediate Similarity	NPD5327	Phase 3
0.7568	Intermediate Similarity	NPD2313	Discontinued
0.7566	Intermediate Similarity	NPD2935	Discontinued
0.7566	Intermediate Similarity	NPD4477	Approved
0.7566	Intermediate Similarity	NPD4476	Approved
0.756	Intermediate Similarity	NPD5844	Phase 1
0.7552	Intermediate Similarity	NPD1611	Approved
0.7552	Intermediate Similarity	NPD1547	Clinical (unspecified phase)
0.7551	Intermediate Similarity	NPD6832	Phase 2
0.7534	Intermediate Similarity	NPD2798	Approved
0.75	Intermediate Similarity	NPD5952	Clinical (unspecified phase)
0.75	Intermediate Similarity	NPD6599	Discontinued
0.75	Intermediate Similarity	NPD7893	Clinical (unspecified phase)
0.7484	Intermediate Similarity	NPD3750	Approved
0.7467	Intermediate Similarity	NPD4060	Phase 1
0.7466	Intermediate Similarity	NPD3266	Approved
0.7466	Intermediate Similarity	NPD3267	Approved
0.7466	Intermediate Similarity	NPD2797	Approved
0.7451	Intermediate Similarity	NPD2796	Approved
0.7439	Intermediate Similarity	NPD3749	Approved
0.7436	Intermediate Similarity	NPD2309	Approved
0.7417	Intermediate Similarity	NPD1899	Clinical (unspecified phase)
0.7417	Intermediate Similarity	NPD6355	Discontinued
0.7413	Intermediate Similarity	NPD17	Approved
0.741	Intermediate Similarity	NPD6959	Discontinued
0.741	Intermediate Similarity	NPD1241	Discontinued
0.7396	Intermediate Similarity	NPD7177	Discontinued
0.7386	Intermediate Similarity	NPD4308	Phase 3
0.7378	Intermediate Similarity	NPD7768	Phase 2
0.7372	Intermediate Similarity	NPD6398	Clinical (unspecified phase)
0.7349	Intermediate Similarity	NPD5494	Approved
0.7346	Intermediate Similarity	NPD7411	Suspended
0.7337	Intermediate Similarity	NPD7473	Discontinued
0.7333	Intermediate Similarity	NPD3268	Approved
0.7333	Intermediate Similarity	NPD3764	Approved
0.7333	Intermediate Similarity	NPD6798	Discontinued
0.7329	Intermediate Similarity	NPD4359	Approved
0.7314	Intermediate Similarity	NPD8434	Phase 2
0.7312	Intermediate Similarity	NPD7427	Discontinued
0.7305	Intermediate Similarity	NPD8127	Discontinued
0.7301	Intermediate Similarity	NPD6279	Approved
0.7301	Intermediate Similarity	NPD6280	Approved
0.7296	Intermediate Similarity	NPD2533	Approved
0.7296	Intermediate Similarity	NPD2534	Approved
0.7296	Intermediate Similarity	NPD2532	Approved
0.7292	Intermediate Similarity	NPD1778	Approved
0.7285	Intermediate Similarity	NPD6663	Approved
0.7273	Intermediate Similarity	NPD4947	Clinical (unspecified phase)
0.7267	Intermediate Similarity	NPD7095	Approved
0.7267	Intermediate Similarity	NPD7008	Discontinued
0.7262	Intermediate Similarity	NPD6808	Phase 2
0.7262	Intermediate Similarity	NPD7229	Phase 3
0.7262	Intermediate Similarity	NPD6232	Discontinued
0.7261	Intermediate Similarity	NPD8166	Discontinued
0.7261	Intermediate Similarity	NPD4110	Phase 3
0.7261	Intermediate Similarity	NPD4109	Clinical (unspecified phase)
0.726	Intermediate Similarity	NPD1608	Approved
0.7256	Intermediate Similarity	NPD7096	Clinical (unspecified phase)
0.7248	Intermediate Similarity	NPD5736	Approved
0.7244	Intermediate Similarity	NPD2897	Discontinued
0.7226	Intermediate Similarity	NPD5405	Approved
0.7226	Intermediate Similarity	NPD1551	Phase 2
0.7226	Intermediate Similarity	NPD5404	Approved
0.7226	Intermediate Similarity	NPD5406	Approved
0.7226	Intermediate Similarity	NPD5408	Approved
0.7225	Intermediate Similarity	NPD6765	Approved
0.7225	Intermediate Similarity	NPD6764	Approved
0.7222	Intermediate Similarity	NPD3024	Approved
0.7222	Intermediate Similarity	NPD3025	Approved
0.7214	Intermediate Similarity	NPD5535	Approved
0.7205	Intermediate Similarity	NPD6980	Clinical (unspecified phase)
0.7202	Intermediate Similarity	NPD1247	Approved
0.7195	Intermediate Similarity	NPD6801	Discontinued
0.719	Intermediate Similarity	NPD4622	Approved
0.719	Intermediate Similarity	NPD4618	Approved
0.7186	Intermediate Similarity	NPD5537	Clinical (unspecified phase)
0.7176	Intermediate Similarity	NPD7852	Clinical (unspecified phase)
0.7175	Intermediate Similarity	NPD7693	Approved
0.7172	Intermediate Similarity	NPD3019	Approved
0.7152	Intermediate Similarity	NPD5760	Phase 2
0.7152	Intermediate Similarity	NPD5761	Phase 2
0.7143	Intermediate Similarity	NPD710	Clinical (unspecified phase)
0.7143	Intermediate Similarity	NPD8313	Approved
0.7143	Intermediate Similarity	NPD8312	Approved
0.7134	Intermediate Similarity	NPD6873	Phase 2
0.7126	Intermediate Similarity	NPD7075	Discontinued
0.7125	Intermediate Similarity	NPD6799	Approved
0.7123	Intermediate Similarity	NPD3026	Approved
0.7123	Intermediate Similarity	NPD3023	Approved
0.7115	Intermediate Similarity	NPD6100	Approved
0.7115	Intermediate Similarity	NPD6099	Approved
0.7113	Intermediate Similarity	NPD5951	Approved
0.7108	Intermediate Similarity	NPD8443	Clinical (unspecified phase)
0.7107	Intermediate Similarity	NPD3887	Approved
0.7105	Intermediate Similarity	NPD1699	Clinical (unspecified phase)
0.7105	Intermediate Similarity	NPD6812	Clinical (unspecified phase)
0.7099	Intermediate Similarity	NPD3869	Phase 3
0.7099	Intermediate Similarity	NPD3873	Phase 3
0.7097	Intermediate Similarity	NPD5689	Approved
0.7097	Intermediate Similarity	NPD5688	Approved
0.7083	Intermediate Similarity	NPD7644	Approved
0.7081	Intermediate Similarity	NPD4378	Clinical (unspecified phase)
0.7078	Intermediate Similarity	NPD1933	Approved
0.7078	Intermediate Similarity	NPD5735	Approved
0.7071	Intermediate Similarity	NPD2181	Clinical (unspecified phase)
0.7065	Intermediate Similarity	NPD4107	Approved
0.7062	Intermediate Similarity	NPD6784	Approved
0.7062	Intermediate Similarity	NPD6785	Approved
0.7059	Intermediate Similarity	NPD4870	Approved
0.7055	Intermediate Similarity	NPD2932	Approved
0.7048	Intermediate Similarity	NPD2393	Clinical (unspecified phase)
0.7039	Intermediate Similarity	NPD8397	Clinical (unspecified phase)
0.7037	Intermediate Similarity	NPD5049	Phase 3
0.7034	Intermediate Similarity	NPD1894	Discontinued
0.7032	Intermediate Similarity	NPD6353	Approved
0.7032	Intermediate Similarity	NPD4097	Suspended
0.7029	Intermediate Similarity	NPD3134	Approved
0.7025	Intermediate Similarity	NPD970	Clinical (unspecified phase)
0.7019	Intermediate Similarity	NPD6143	Clinical (unspecified phase)
0.7018	Intermediate Similarity	NPD3926	Phase 2
0.7007	Intermediate Similarity	NPD3496	Discontinued
0.7006	Intermediate Similarity	NPD3817	Phase 2
0.7	Intermediate Similarity	NPD1203	Approved
0.7	Intermediate Similarity	NPD7199	Phase 2
0.6993	Remote Similarity	NPD6859	Clinical (unspecified phase)
0.6993	Remote Similarity	NPD411	Approved
0.6988	Remote Similarity	NPD37	Approved
0.6975	Remote Similarity	NPD7410	Clinical (unspecified phase)
0.6975	Remote Similarity	NPD7422	Clinical (unspecified phase)
0.697	Remote Similarity	NPD7028	Phase 2
0.6964	Remote Similarity	NPD4868	Clinical (unspecified phase)
0.6964	Remote Similarity	NPD4965	Approved
0.6964	Remote Similarity	NPD4967	Phase 2
0.6964	Remote Similarity	NPD4966	Approved
0.6962	Remote Similarity	NPD2353	Approved
0.6962	Remote Similarity	NPD2355	Clinical (unspecified phase)
0.6962	Remote Similarity	NPD5762	Approved
0.6962	Remote Similarity	NPD5763	Approved
0.6959	Remote Similarity	NPD1201	Approved
0.6957	Remote Similarity	NPD7440	Discontinued
0.6954	Remote Similarity	NPD1019	Discontinued
0.6954	Remote Similarity	NPD4624	Approved
0.6948	Remote Similarity	NPD6233	Phase 2
0.6935	Remote Similarity	NPD4482	Phase 3
0.6933	Remote Similarity	NPD6696	Suspended
0.6928	Remote Similarity	NPD5889	Approved
0.6928	Remote Similarity	NPD4625	Phase 3
0.6928	Remote Similarity	NPD5890	Approved
0.6923	Remote Similarity	NPD4579	Clinical (unspecified phase)
0.6923	Remote Similarity	NPD1607	Approved
0.6919	Remote Similarity	NPD7184	Clinical (unspecified phase)
0.6918	Remote Similarity	NPD4534	Discontinued
0.6918	Remote Similarity	NPD1549	Phase 2
0.6914	Remote Similarity	NPD5441	Clinical (unspecified phase)
0.6913	Remote Similarity	NPD9717	Approved
0.6909	Remote Similarity	NPD2649	Approved
0.6909	Remote Similarity	NPD2651	Approved
0.6905	Remote Similarity	NPD2296	Approved
0.6903	Remote Similarity	NPD3140	Approved
0.6903	Remote Similarity	NPD3142	Approved
0.6902	Remote Similarity	NPD7238	Clinical (unspecified phase)
0.6894	Remote Similarity	NPD3295	Clinical (unspecified phase)
0.6887	Remote Similarity	NPD1470	Approved

Structure

CID290038 OpenBabel06191716092D 24 27 0 0 1 0 0 0 0 0999 V2000 -3.4641 -3.0000 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 0.5000 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 0.8660 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 -1.7321 -2.0000 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 -5.2812 -1.8090 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 0.0000 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8690 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4641 -0.0000 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 -2.5981 -1.5000 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 -2.5981 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3301 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 -0.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0000 -0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5000 -0.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 0.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2812 -0.1910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 4 23 1 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 6 7 1 0 0 0 0 6 14 1 0 0 0 0 7 18 1 0 0 0 0 8 11 2 0 0 0 0 8 15 1 0 0 0 0 9 20 1 0 0 0 0 10 21 1 0 0 0 0 11 24 1 0 0 0 0 12 16 2 0 0 0 0 12 17 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 14 16 1 0 0 0 0 15 17 2 0 0 0 0 16 20 1 0 0 0 0 17 24 1 0 0 0 0 18 20 1 6 0 0 0 18 21 1 0 0 0 0 19 21 1 0 0 0 0 19 22 2 0 0 0 0 19 23 1 0 0 0 0 20 2 1 6 0 0 0 21 3 1 6 0 0 0 M END $$$$

External Identifiers

PubChem CID	11645561
ChEMBL	CHEMBL3358070
ZINC

Physicochemical Properties

Molecular Weight:	326.19
ALogP:	1.0674
MLogP:	3.44
XLogP:	5.774
# Rotatable Bonds:	6
Polar Surface Area:	39.44
# H-Bond Aceptor:	2
# H-Bond Donor:	0
# Rings:	4
# Heavy Atoms:	24

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