NPASS Natural Product

Natural Product: NPC28054

Natural Product ID:	NPC28054
Common Name:	Furospongin 2
IUPAC Name:	(3E,7E)-1,11-bis(furan-3-yl)-4,8-dimethylundeca-3,7-dien-6-one
Synonyms:	Furospongin 2
Molecular Formula:	C21H26O3
Standard InCHIKey:	HAETXMBDLLFIOV-FQYYDQKYSA-N
Standard InCHI:	InChI=1S/C21H26O3/c1-17(5-3-7-19-9-11-23-15-19)13-21(22)14-18(2)6-4-8-20-10-12-24-16-20/h5,9-12,14-16H,3-4,6-8,13H2,1-2H3/b17-5+,18-14+
Canonical SMILES:	C/C(=CC(=O)C/C(=C/CCc1cocc1)/C)/CCCc1cocc1
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
NPO3178	Dalbergia latifolia	Species	Fabaceae	Eukaryota				UNPD*

Biological Activity

Activity Type	# Activity
LD50	1

Activity Type	# Activity
Organism	1

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT176	Organism	Artemia salina	Artemia salina	LD50	=	0.12	ug/ml	10.1021/np50066a010

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 NPC28054 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	191
0.1-0.2	1105
0.2-0.3	2822
0.3-0.4	7799
0.4-0.5	7087
0.5-0.6	7889
0.6-0.7	3565
0.7-0.8	335
0.8-0.85	75
0.85-0.9	20
0.9-0.95	1
0.95-1	0

Similarity Score	Similarity Level	Natural Product ID
0.9035	High Similarity	NPC243704
0.8957	High Similarity	NPC473969
0.8919	High Similarity	NPC105249
0.886	High Similarity	NPC45536
0.8783	High Similarity	NPC144745
0.8783	High Similarity	NPC131801
0.8783	High Similarity	NPC208906
0.8772	High Similarity	NPC205523
0.8649	High Similarity	NPC473356
0.8649	High Similarity	NPC471521
0.8632	High Similarity	NPC4898
0.8621	High Similarity	NPC312525
0.8621	High Similarity	NPC217180
0.8609	High Similarity	NPC150895
0.8583	High Similarity	NPC188377
0.8583	High Similarity	NPC65735
0.8583	High Similarity	NPC118853
0.8571	High Similarity	NPC177331
0.8525	High Similarity	NPC137570
0.8512	High Similarity	NPC75557
0.8512	High Similarity	NPC71274
0.8487	Intermediate Similarity	NPC79557
0.8443	Intermediate Similarity	NPC474260
0.8443	Intermediate Similarity	NPC329694
0.8443	Intermediate Similarity	NPC329922
0.8443	Intermediate Similarity	NPC81912
0.8417	Intermediate Similarity	NPC473379
0.8417	Intermediate Similarity	NPC471549
0.8417	Intermediate Similarity	NPC477967
0.8417	Intermediate Similarity	NPC317217
0.8374	Intermediate Similarity	NPC476016
0.8374	Intermediate Similarity	NPC141059
0.8374	Intermediate Similarity	NPC319140
0.8374	Intermediate Similarity	NPC95567
0.8361	Intermediate Similarity	NPC474829
0.8348	Intermediate Similarity	NPC22678
0.8348	Intermediate Similarity	NPC26157
0.8348	Intermediate Similarity	NPC1811
0.8347	Intermediate Similarity	NPC16922
0.8347	Intermediate Similarity	NPC476351
0.8333	Intermediate Similarity	NPC1848
0.8319	Intermediate Similarity	NPC137710
0.8306	Intermediate Similarity	NPC474438
0.8306	Intermediate Similarity	NPC474279
0.8305	Intermediate Similarity	NPC227660
0.8304	Intermediate Similarity	NPC42471
0.8293	Intermediate Similarity	NPC83301
0.8279	Intermediate Similarity	NPC477038
0.8279	Intermediate Similarity	NPC477965
0.8279	Intermediate Similarity	NPC243269
0.8268	Intermediate Similarity	NPC471006
0.8264	Intermediate Similarity	NPC283284
0.8264	Intermediate Similarity	NPC289911
0.8264	Intermediate Similarity	NPC263870
0.8254	Intermediate Similarity	NPC475092
0.8254	Intermediate Similarity	NPC298190
0.8254	Intermediate Similarity	NPC17681
0.8235	Intermediate Similarity	NPC187547
0.8235	Intermediate Similarity	NPC21831
0.8235	Intermediate Similarity	NPC206007
0.8226	Intermediate Similarity	NPC474830
0.8211	Intermediate Similarity	NPC473885
0.8211	Intermediate Similarity	NPC471559
0.8211	Intermediate Similarity	NPC179354
0.8211	Intermediate Similarity	NPC471074
0.8197	Intermediate Similarity	NPC475818
0.8189	Intermediate Similarity	NPC45358
0.8189	Intermediate Similarity	NPC97740
0.8182	Intermediate Similarity	NPC474136
0.8175	Intermediate Similarity	NPC21460
0.8145	Intermediate Similarity	NPC46536
0.8145	Intermediate Similarity	NPC74612
0.8145	Intermediate Similarity	NPC23086
0.8145	Intermediate Similarity	NPC138139
0.8099	Intermediate Similarity	NPC474817
0.808	Intermediate Similarity	NPC473355
0.808	Intermediate Similarity	NPC83178
0.808	Intermediate Similarity	NPC471573
0.808	Intermediate Similarity	NPC471554
0.808	Intermediate Similarity	NPC471501
0.8077	Intermediate Similarity	NPC146872
0.807	Intermediate Similarity	NPC140688
0.8067	Intermediate Similarity	NPC476031
0.8067	Intermediate Similarity	NPC476014
0.8047	Intermediate Similarity	NPC471817
0.8047	Intermediate Similarity	NPC473982
0.8033	Intermediate Similarity	NPC97566
0.8016	Intermediate Similarity	NPC477040
0.8016	Intermediate Similarity	NPC477123
0.8016	Intermediate Similarity	NPC476917
0.8016	Intermediate Similarity	NPC112706
0.8016	Intermediate Similarity	NPC477966
0.8016	Intermediate Similarity	NPC327527
0.8016	Intermediate Similarity	NPC207294
0.8016	Intermediate Similarity	NPC477039
0.8	Intermediate Similarity	NPC92941
0.7984	Intermediate Similarity	NPC470740
0.7969	Intermediate Similarity	NPC61788
0.7955	Intermediate Similarity	NPC236532
0.7953	Intermediate Similarity	NPC59502
0.7934	Intermediate Similarity	NPC87466
0.7923	Intermediate Similarity	NPC106247
0.7917	Intermediate Similarity	NPC79202
0.7917	Intermediate Similarity	NPC59035
0.7917	Intermediate Similarity	NPC474987
0.7907	Intermediate Similarity	NPC473344
0.7907	Intermediate Similarity	NPC471545
0.7907	Intermediate Similarity	NPC471544
0.7891	Intermediate Similarity	NPC476925
0.7886	Intermediate Similarity	NPC115859
0.7879	Intermediate Similarity	NPC215109
0.7879	Intermediate Similarity	NPC170604
0.7879	Intermediate Similarity	NPC470742
0.7868	Intermediate Similarity	NPC261733
0.7868	Intermediate Similarity	NPC307346
0.7868	Intermediate Similarity	NPC267004
0.7868	Intermediate Similarity	NPC218712
0.7863	Intermediate Similarity	NPC265793
0.7863	Intermediate Similarity	NPC158525
0.7857	Intermediate Similarity	NPC216810
0.7857	Intermediate Similarity	NPC156768
0.7851	Intermediate Similarity	NPC212918
0.7846	Intermediate Similarity	NPC474407
0.7846	Intermediate Similarity	NPC218838
0.7846	Intermediate Similarity	NPC474425
0.7846	Intermediate Similarity	NPC474426
0.7829	Intermediate Similarity	NPC89133
0.7829	Intermediate Similarity	NPC136340
0.7829	Intermediate Similarity	NPC477645
0.7812	Intermediate Similarity	NPC50583
0.7805	Intermediate Similarity	NPC246214
0.7803	Intermediate Similarity	NPC46896
0.7795	Intermediate Similarity	NPC184391
0.7795	Intermediate Similarity	NPC290955
0.7795	Intermediate Similarity	NPC246392
0.7787	Intermediate Similarity	NPC254958
0.7787	Intermediate Similarity	NPC291619
0.7761	Intermediate Similarity	NPC90953
0.775	Intermediate Similarity	NPC252004
0.7744	Intermediate Similarity	NPC307401
0.7744	Intermediate Similarity	NPC42400
0.7744	Intermediate Similarity	NPC64157
0.7744	Intermediate Similarity	NPC186626
0.7744	Intermediate Similarity	NPC473268
0.7744	Intermediate Similarity	NPC278832
0.7734	Intermediate Similarity	NPC279877
0.7734	Intermediate Similarity	NPC329707
0.7734	Intermediate Similarity	NPC26532
0.7727	Intermediate Similarity	NPC476947
0.7727	Intermediate Similarity	NPC209858
0.7721	Intermediate Similarity	NPC473152
0.7717	Intermediate Similarity	NPC470858
0.7705	Intermediate Similarity	NPC469954
0.7704	Intermediate Similarity	NPC56197
0.7698	Intermediate Similarity	NPC11799
0.7698	Intermediate Similarity	NPC141252
0.7687	Intermediate Similarity	NPC130976
0.7687	Intermediate Similarity	NPC220094
0.7687	Intermediate Similarity	NPC476943
0.768	Intermediate Similarity	NPC36255
0.7674	Intermediate Similarity	NPC208389
0.7664	Intermediate Similarity	NPC267632
0.763	Intermediate Similarity	NPC202260
0.7623	Intermediate Similarity	NPC316062
0.7619	Intermediate Similarity	NPC272899
0.7612	Intermediate Similarity	NPC310830
0.7603	Intermediate Similarity	NPC292036
0.7594	Intermediate Similarity	NPC14650
0.7594	Intermediate Similarity	NPC159786
0.7581	Intermediate Similarity	NPC244862
0.7581	Intermediate Similarity	NPC67345
0.7576	Intermediate Similarity	NPC293253
0.7574	Intermediate Similarity	NPC201370
0.7574	Intermediate Similarity	NPC473983
0.7574	Intermediate Similarity	NPC90296
0.7559	Intermediate Similarity	NPC178382
0.7559	Intermediate Similarity	NPC83115
0.7559	Intermediate Similarity	NPC130275
0.7557	Intermediate Similarity	NPC282230
0.7557	Intermediate Similarity	NPC183348
0.7556	Intermediate Similarity	NPC472376
0.7554	Intermediate Similarity	NPC469642
0.7541	Intermediate Similarity	NPC11821
0.754	Intermediate Similarity	NPC314329
0.7537	Intermediate Similarity	NPC204592
0.7537	Intermediate Similarity	NPC303217
0.7536	Intermediate Similarity	NPC22248
0.7536	Intermediate Similarity	NPC470741
0.7536	Intermediate Similarity	NPC223415
0.7521	Intermediate Similarity	NPC53953
0.7519	Intermediate Similarity	NPC288209
0.7518	Intermediate Similarity	NPC20500
0.7518	Intermediate Similarity	NPC205765
0.75	Intermediate Similarity	NPC293424
0.75	Intermediate Similarity	NPC276676
0.75	Intermediate Similarity	NPC15083
0.75	Intermediate Similarity	NPC277525
0.75	Intermediate Similarity	NPC54626
0.75	Intermediate Similarity	NPC146316
0.75	Intermediate Similarity	NPC303010

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC28054 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	194
0.1-0.2	1003
0.2-0.3	1640
0.3-0.4	2913
0.4-0.5	2140
0.5-0.6	1027
0.6-0.7	233
0.7-0.8	11
0.8-0.85	0
0.85-0.9	0
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.7667	Intermediate Similarity	NPD1241	Discontinued
0.754	Intermediate Similarity	NPD1547	Clinical (unspecified phase)
0.75	Intermediate Similarity	NPD2343	Clinical (unspecified phase)
0.7344	Intermediate Similarity	NPD3972	Approved
0.7273	Intermediate Similarity	NPD6832	Phase 2
0.7231	Intermediate Similarity	NPD1876	Approved
0.7122	Intermediate Similarity	NPD2344	Approved
0.7059	Intermediate Similarity	NPD3140	Approved
0.7059	Intermediate Similarity	NPD3142	Approved
0.705	Intermediate Similarity	NPD2796	Approved
0.7	Intermediate Similarity	NPD1471	Phase 3
0.6993	Remote Similarity	NPD643	Clinical (unspecified phase)
0.6992	Remote Similarity	NPD2798	Approved
0.6992	Remote Similarity	NPD2181	Clinical (unspecified phase)
0.6933	Remote Similarity	NPD5616	Clinical (unspecified phase)
0.6923	Remote Similarity	NPD2309	Approved
0.6918	Remote Similarity	NPD920	Approved
0.6918	Remote Similarity	NPD3869	Phase 3
0.6918	Remote Similarity	NPD3873	Phase 3
0.6917	Remote Similarity	NPD1049	Clinical (unspecified phase)
0.6901	Remote Similarity	NPD7421	Clinical (unspecified phase)
0.6897	Remote Similarity	NPD642	Clinical (unspecified phase)
0.6867	Remote Similarity	NPD5760	Phase 2
0.6867	Remote Similarity	NPD5761	Phase 2
0.6866	Remote Similarity	NPD1019	Discontinued
0.6857	Remote Similarity	NPD2799	Discontinued
0.6818	Remote Similarity	NPD9717	Approved
0.6812	Remote Similarity	NPD4307	Phase 2
0.6806	Remote Similarity	NPD3887	Approved
0.6803	Remote Similarity	NPD3134	Approved
0.68	Remote Similarity	NPD6279	Approved
0.68	Remote Similarity	NPD6280	Approved
0.6791	Remote Similarity	NPD2797	Approved
0.6791	Remote Similarity	NPD3267	Approved
0.6791	Remote Similarity	NPD3266	Approved
0.6788	Remote Similarity	NPD2313	Discontinued
0.6783	Remote Similarity	NPD1243	Approved
0.6774	Remote Similarity	NPD5668	Clinical (unspecified phase)
0.6763	Remote Similarity	NPD1899	Clinical (unspecified phase)
0.6744	Remote Similarity	NPD9092	Discovery
0.6736	Remote Similarity	NPD4628	Phase 3
0.6718	Remote Similarity	NPD17	Approved
0.6694	Remote Similarity	NPD2684	Approved
0.6692	Remote Similarity	NPD1894	Discontinued
0.6667	Remote Similarity	NPD4661	Approved
0.6667	Remote Similarity	NPD1203	Approved
0.6667	Remote Similarity	NPD3268	Approved
0.6667	Remote Similarity	NPD4662	Approved
0.6643	Remote Similarity	NPD2353	Approved
0.6643	Remote Similarity	NPD1933	Approved
0.6643	Remote Similarity	NPD2355	Clinical (unspecified phase)
0.6641	Remote Similarity	NPD5585	Approved
0.6641	Remote Similarity	NPD1651	Approved
0.6622	Remote Similarity	NPD6273	Approved
0.662	Remote Similarity	NPD4308	Phase 3
0.662	Remote Similarity	NPD3748	Approved
0.6614	Remote Similarity	NPD5535	Approved
0.6613	Remote Similarity	NPD1358	Approved
0.6599	Remote Similarity	NPD6799	Approved
0.6597	Remote Similarity	NPD1549	Phase 2
0.6583	Remote Similarity	NPD1238	Approved
0.6581	Remote Similarity	NPD919	Approved
0.6577	Remote Similarity	NPD5586	Clinical (unspecified phase)
0.6573	Remote Similarity	NPD1551	Phase 2
0.6571	Remote Similarity	NPD1240	Approved
0.6569	Remote Similarity	NPD9494	Approved
0.6567	Remote Similarity	NPD1608	Approved
0.6565	Remote Similarity	NPD9545	Approved
0.656	Remote Similarity	NPD2182	Approved
0.6558	Remote Similarity	NPD4947	Clinical (unspecified phase)
0.6547	Remote Similarity	NPD6798	Discontinued
0.6535	Remote Similarity	NPD1609	Clinical (unspecified phase)
0.6528	Remote Similarity	NPD1550	Clinical (unspecified phase)
0.6528	Remote Similarity	NPD1552	Clinical (unspecified phase)
0.6528	Remote Similarity	NPD2346	Discontinued
0.6525	Remote Similarity	NPD4618	Approved
0.6525	Remote Similarity	NPD6355	Discontinued
0.6525	Remote Similarity	NPD4622	Approved
0.6497	Remote Similarity	NPD1247	Approved
0.6489	Remote Similarity	NPD5536	Phase 2
0.6484	Remote Similarity	NPD7843	Approved
0.6479	Remote Similarity	NPD1607	Approved
0.6466	Remote Similarity	NPD3412	Clinical (unspecified phase)
0.6463	Remote Similarity	NPD2354	Approved
0.6458	Remote Similarity	NPD2935	Discontinued
0.6456	Remote Similarity	NPD6808	Phase 2
0.6452	Remote Similarity	NPD9697	Approved
0.6447	Remote Similarity	NPD6599	Discontinued
0.6443	Remote Similarity	NPD4378	Clinical (unspecified phase)
0.6434	Remote Similarity	NPD5688	Approved
0.6434	Remote Similarity	NPD5689	Approved
0.6429	Remote Similarity	NPD6859	Clinical (unspecified phase)
0.6419	Remote Similarity	NPD7440	Discontinued
0.6418	Remote Similarity	NPD3496	Discontinued
0.6412	Remote Similarity	NPD9493	Approved
0.6405	Remote Similarity	NPD7411	Suspended
0.6397	Remote Similarity	NPD4359	Approved
0.6395	Remote Similarity	NPD3750	Approved
0.6391	Remote Similarity	NPD5691	Approved
0.6389	Remote Similarity	NPD1510	Phase 2
0.6387	Remote Similarity	NPD2296	Approved
0.6383	Remote Similarity	NPD4062	Phase 3
0.6383	Remote Similarity	NPD8032	Phase 2
0.6383	Remote Similarity	NPD6233	Phase 2
0.6377	Remote Similarity	NPD5647	Approved
0.6375	Remote Similarity	NPD4575	Clinical (unspecified phase)
0.637	Remote Similarity	NPD1281	Approved
0.6364	Remote Similarity	NPD7577	Discontinued
0.6358	Remote Similarity	NPD6980	Clinical (unspecified phase)
0.6358	Remote Similarity	NPD5403	Approved
0.6351	Remote Similarity	NPD3295	Clinical (unspecified phase)
0.6346	Remote Similarity	NPD3882	Suspended
0.6345	Remote Similarity	NPD4476	Approved
0.6345	Remote Similarity	NPD4477	Approved
0.6343	Remote Similarity	NPD1778	Approved
0.6341	Remote Similarity	NPD6559	Discontinued
0.6338	Remote Similarity	NPD2979	Phase 3
0.6336	Remote Similarity	NPD7157	Approved
0.6336	Remote Similarity	NPD2557	Approved
0.6333	Remote Similarity	NPD5401	Approved
0.6333	Remote Similarity	NPD7410	Clinical (unspecified phase)
0.6329	Remote Similarity	NPD5494	Approved
0.6324	Remote Similarity	NPD1481	Phase 2
0.6323	Remote Similarity	NPD7096	Clinical (unspecified phase)
0.6323	Remote Similarity	NPD7819	Suspended
0.6312	Remote Similarity	NPD411	Approved
0.6312	Remote Similarity	NPD3926	Phase 2
0.6312	Remote Similarity	NPD3764	Approved
0.6301	Remote Similarity	NPD6003	Clinical (unspecified phase)
0.6301	Remote Similarity	NPD6004	Phase 3
0.6301	Remote Similarity	NPD6006	Clinical (unspecified phase)
0.6301	Remote Similarity	NPD6005	Phase 3
0.6301	Remote Similarity	NPD6002	Phase 3
0.6299	Remote Similarity	NPD5889	Approved
0.6299	Remote Similarity	NPD5890	Approved
0.6296	Remote Similarity	NPD7893	Clinical (unspecified phase)
0.6296	Remote Similarity	NPD3847	Discontinued
0.6294	Remote Similarity	NPD447	Suspended
0.6291	Remote Similarity	NPD5049	Phase 3
0.6288	Remote Similarity	NPD3596	Phase 2
0.6284	Remote Similarity	NPD7003	Approved
0.6276	Remote Similarity	NPD7033	Discontinued
0.6275	Remote Similarity	NPD5808	Clinical (unspecified phase)
0.6275	Remote Similarity	NPD2649	Approved
0.6275	Remote Similarity	NPD2651	Approved
0.627	Remote Similarity	NPD968	Approved
0.6267	Remote Similarity	NPD6143	Clinical (unspecified phase)
0.6266	Remote Similarity	NPD5537	Clinical (unspecified phase)
0.626	Remote Similarity	NPD690	Clinical (unspecified phase)
0.6259	Remote Similarity	NPD2897	Discontinued
0.6258	Remote Similarity	NPD3050	Clinical (unspecified phase)
0.6258	Remote Similarity	NPD6844	Discontinued
0.6258	Remote Similarity	NPD6801	Discontinued
0.625	Remote Similarity	NPD5451	Approved
0.625	Remote Similarity	NPD1535	Discovery
0.625	Remote Similarity	NPD6287	Discontinued
0.625	Remote Similarity	NPD2067	Discontinued
0.6242	Remote Similarity	NPD5019	Clinical (unspecified phase)
0.6242	Remote Similarity	NPD6764	Approved
0.6242	Remote Similarity	NPD6765	Approved
0.624	Remote Similarity	NPD164	Approved
0.624	Remote Similarity	NPD1237	Approved
0.6232	Remote Similarity	NPD1283	Approved
0.6231	Remote Similarity	NPD821	Approved
0.622	Remote Similarity	NPD290	Approved
0.6218	Remote Similarity	NPD2393	Clinical (unspecified phase)
0.6216	Remote Similarity	NPD2654	Approved
0.6214	Remote Similarity	NPD454	Approved
0.6213	Remote Similarity	NPD6040	Clinical (unspecified phase)
0.6203	Remote Similarity	NPD7075	Discontinued
0.6203	Remote Similarity	NPD3749	Approved
0.6196	Remote Similarity	NPD2163	Approved
0.6194	Remote Similarity	NPD6580	Approved
0.6194	Remote Similarity	NPD6581	Approved
0.619	Remote Similarity	NPD6800	Clinical (unspecified phase)
0.6187	Remote Similarity	NPD6362	Approved
0.6184	Remote Similarity	NPD2186	Approved
0.6178	Remote Similarity	NPD8443	Clinical (unspecified phase)
0.6174	Remote Similarity	NPD1878	Clinical (unspecified phase)
0.6169	Remote Similarity	NPD7458	Discontinued
0.6169	Remote Similarity	NPD3226	Approved
0.6164	Remote Similarity	NPD6862	Phase 2
0.6159	Remote Similarity	NPD4379	Clinical (unspecified phase)
0.6154	Remote Similarity	NPD4870	Approved
0.6154	Remote Similarity	NPD1934	Approved
0.6154	Remote Similarity	NPD8434	Phase 2
0.6149	Remote Similarity	NPD2424	Discontinued
0.6149	Remote Similarity	NPD5958	Discontinued
0.6149	Remote Similarity	NPD4534	Discontinued
0.6148	Remote Similarity	NPD3049	Approved
0.6148	Remote Similarity	NPD3445	Approved
0.6148	Remote Similarity	NPD3443	Approved
0.6148	Remote Similarity	NPD6830	Clinical (unspecified phase)
0.6148	Remote Similarity	NPD3444	Approved
0.6139	Remote Similarity	NPD7768	Phase 2
0.6129	Remote Similarity	NPD4380	Phase 2
0.6129	Remote Similarity	NPD6585	Discontinued
0.6127	Remote Similarity	NPD2598	Clinical (unspecified phase)
0.6127	Remote Similarity	NPD5952	Clinical (unspecified phase)
0.6122	Remote Similarity	NPD2438	Suspended

Structure

CID28054 OpenBabel06191715352D 24 25 0 0 0 0 0 0 0 0999 V2000 -7.0388 2.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0388 0.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0388 2.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0388 -1.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5388 1.2321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0388 -1.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0388 2.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5388 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1321 0.3185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9511 -1.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8752 -0.3506 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 -7.0388 0.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5388 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5334 1.1275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9511 0.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5388 1.2321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5388 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5388 1.2321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5388 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0388 0.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5388 1.2321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.7413 0.1494 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 17 1 0 0 0 0 2 18 1 0 0 0 0 3 5 1 0 0 0 0 3 7 1 0 0 0 0 4 6 1 0 0 0 0 4 8 1 0 0 0 0 5 17 2 0 0 0 0 6 18 1 0 0 0 0 7 19 1 0 0 0 0 8 20 1 0 0 0 0 9 11 2 0 0 0 0 9 19 1 0 0 0 0 10 12 2 0 0 0 0 10 20 1 0 0 0 0 11 23 1 0 0 0 0 12 24 1 0 0 0 0 13 17 1 0 0 0 0 13 21 1 0 0 0 0 14 18 2 0 0 0 0 14 21 1 0 0 0 0 15 19 2 0 0 0 0 15 23 1 0 0 0 0 16 20 2 0 0 0 0 16 24 1 0 0 0 0 21 22 2 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	15625486
ChEMBL	CHEMBL483413
ZINC

Physicochemical Properties

Molecular Weight:	326.19
ALogP:	1.3393
MLogP:	3.44
XLogP:	4.23
# Rotatable Bonds:	12
Polar Surface Area:	43.35
# H-Bond Aceptor:	1
# H-Bond Donor:	0
# Rings:	2
# Heavy Atoms:	24

Download Data

Data Type	Select
General Info & Identifiers & Properties
Structure MOL file
Source Organisms
Biological Activities
Similar NPs/Drugs