NPASS Natural Product

Natural Product: NPC177331

Natural Product ID:	NPC177331
Common Name:	(E,6E)-6-[3-(Furan-3-Yl)Propylidene]-2-(4-Methylpent-3-Enyl)Hept-2-Ene-1,7-Diol
IUPAC Name:	(E,6E)-6-[3-(furan-3-yl)propylidene]-2-(4-methylpent-3-enyl)hept-2-ene-1,7-diol
Synonyms:
Molecular Formula:	C20H30O3
Standard InCHIKey:	GCHHEUZQAFUHCA-FUJNXNNZSA-N
Standard InCHI:	InChI=1S/C20H30O3/c1-17(2)6-3-7-18(14-21)8-4-9-19(15-22)10-5-11-20-12-13-23-16-20/h6,8,10,12-13,16,21-22H,3-5,7,9,11,14-15H2,1-2H3/b18-8+,19-10+
Canonical SMILES:	OC/C(=C/CCc1cocc1)/CC/C=C(CCC=C(C)C)/CO
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
NPO12372	Baccharis thymifolia	Species	Asteraceae	Eukaryota				PMID[18232640]

Biological Activity

Activity Type	# Activity
Others	1

Activity Type	# Activity
Organism	1

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT454	Organism	Tenebrio molitor	Tenebrio molitor	Activity	=	5.3	day	22100136

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 NPC177331 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	144
0.1-0.2	929
0.2-0.3	3205
0.3-0.4	8369
0.4-0.5	6503
0.5-0.6	8413
0.6-0.7	3036
0.7-0.8	220
0.8-0.85	49
0.85-0.9	15
0.9-0.95	4
0.95-1	2

Similarity Score	Similarity Level	Natural Product ID
0.9524	High Similarity	NPC26157
0.9524	High Similarity	NPC1811
0.9143	High Similarity	NPC471521
0.9143	High Similarity	NPC473356
0.9009	High Similarity	NPC187547
0.9009	High Similarity	NPC21831
0.8919	High Similarity	NPC208906
0.8919	High Similarity	NPC144745
0.8889	High Similarity	NPC105249
0.886	High Similarity	NPC263870
0.8696	High Similarity	NPC473379
0.8696	High Similarity	NPC477967
0.8696	High Similarity	NPC471549
0.8684	High Similarity	NPC474817
0.8609	High Similarity	NPC474136
0.8571	High Similarity	NPC28054
0.8559	High Similarity	NPC23086
0.8547	High Similarity	NPC118853
0.8547	High Similarity	NPC243269
0.8534	High Similarity	NPC289911
0.8534	High Similarity	NPC283284
0.8475	Intermediate Similarity	NPC474829
0.8462	Intermediate Similarity	NPC475818
0.8462	Intermediate Similarity	NPC476351
0.8448	Intermediate Similarity	NPC79557
0.8421	Intermediate Similarity	NPC131801
0.8348	Intermediate Similarity	NPC243704
0.8333	Intermediate Similarity	NPC474830
0.8333	Intermediate Similarity	NPC471501
0.8333	Intermediate Similarity	NPC473355
0.8333	Intermediate Similarity	NPC471554
0.8333	Intermediate Similarity	NPC471573
0.8319	Intermediate Similarity	NPC71274
0.8319	Intermediate Similarity	NPC471559
0.8319	Intermediate Similarity	NPC75557
0.8276	Intermediate Similarity	NPC473969
0.8276	Intermediate Similarity	NPC4898
0.8264	Intermediate Similarity	NPC207294
0.8264	Intermediate Similarity	NPC112706
0.8264	Intermediate Similarity	NPC474438
0.8264	Intermediate Similarity	NPC474279
0.825	Intermediate Similarity	NPC81912
0.825	Intermediate Similarity	NPC138139
0.825	Intermediate Similarity	NPC329694
0.825	Intermediate Similarity	NPC474260
0.825	Intermediate Similarity	NPC329922
0.825	Intermediate Similarity	NPC46536
0.8246	Intermediate Similarity	NPC205523
0.8246	Intermediate Similarity	NPC150895
0.8182	Intermediate Similarity	NPC140688
0.8182	Intermediate Similarity	NPC476016
0.8182	Intermediate Similarity	NPC83178
0.8174	Intermediate Similarity	NPC45536
0.8145	Intermediate Similarity	NPC97740
0.8145	Intermediate Similarity	NPC45358
0.8136	Intermediate Similarity	NPC1848
0.8103	Intermediate Similarity	NPC312525
0.8103	Intermediate Similarity	NPC217180
0.8083	Intermediate Similarity	NPC477038
0.8083	Intermediate Similarity	NPC477965
0.8067	Intermediate Similarity	NPC317217
0.8065	Intermediate Similarity	NPC89133
0.8065	Intermediate Similarity	NPC61788
0.8065	Intermediate Similarity	NPC17681
0.8017	Intermediate Similarity	NPC474987
0.8	Intermediate Similarity	NPC471544
0.8	Intermediate Similarity	NPC473344
0.8	Intermediate Similarity	NPC16922
0.8	Intermediate Similarity	NPC471545
0.8	Intermediate Similarity	NPC473982
0.7963	Intermediate Similarity	NPC156768
0.7937	Intermediate Similarity	NPC218838
0.7917	Intermediate Similarity	NPC270807
0.7917	Intermediate Similarity	NPC174915
0.7886	Intermediate Similarity	NPC290955
0.7874	Intermediate Similarity	NPC106247
0.7869	Intermediate Similarity	NPC179354
0.7851	Intermediate Similarity	NPC272899
0.7829	Intermediate Similarity	NPC473268
0.7826	Intermediate Similarity	NPC22678
0.7823	Intermediate Similarity	NPC477040
0.7823	Intermediate Similarity	NPC477039
0.7823	Intermediate Similarity	NPC329707
0.7823	Intermediate Similarity	NPC477966
0.7823	Intermediate Similarity	NPC477123
0.7815	Intermediate Similarity	NPC137710
0.7812	Intermediate Similarity	NPC476947
0.7805	Intermediate Similarity	NPC74612
0.7797	Intermediate Similarity	NPC227660
0.7795	Intermediate Similarity	NPC474426
0.7795	Intermediate Similarity	NPC474407
0.7795	Intermediate Similarity	NPC474425
0.7787	Intermediate Similarity	NPC188377
0.7787	Intermediate Similarity	NPC65735
0.7778	Intermediate Similarity	NPC477645
0.7768	Intermediate Similarity	NPC42471
0.7742	Intermediate Similarity	NPC137570
0.7734	Intermediate Similarity	NPC288209
0.7731	Intermediate Similarity	NPC254958
0.7731	Intermediate Similarity	NPC291619
0.7724	Intermediate Similarity	NPC300098
0.7724	Intermediate Similarity	NPC303010
0.771	Intermediate Similarity	NPC90953
0.7698	Intermediate Similarity	NPC476925
0.7692	Intermediate Similarity	NPC252004
0.7692	Intermediate Similarity	NPC292036
0.7692	Intermediate Similarity	NPC186626
0.768	Intermediate Similarity	NPC476917
0.768	Intermediate Similarity	NPC279877
0.768	Intermediate Similarity	NPC327527
0.7674	Intermediate Similarity	NPC265793
0.7674	Intermediate Similarity	NPC158525
0.7674	Intermediate Similarity	NPC14650
0.7667	Intermediate Similarity	NPC244862
0.7667	Intermediate Similarity	NPC67345
0.7642	Intermediate Similarity	NPC130275
0.7634	Intermediate Similarity	NPC130976
0.7634	Intermediate Similarity	NPC472376
0.7615	Intermediate Similarity	NPC46896
0.76	Intermediate Similarity	NPC319140
0.76	Intermediate Similarity	NPC95567
0.76	Intermediate Similarity	NPC246392
0.7594	Intermediate Similarity	NPC205765
0.7593	Intermediate Similarity	NPC146316
0.7583	Intermediate Similarity	NPC206007
0.7581	Intermediate Similarity	NPC221798
0.7581	Intermediate Similarity	NPC473885
0.7581	Intermediate Similarity	NPC290193
0.7581	Intermediate Similarity	NPC471074
0.757	Intermediate Similarity	NPC265461
0.7565	Intermediate Similarity	NPC209111
0.7563	Intermediate Similarity	NPC476031
0.7563	Intermediate Similarity	NPC476014
0.7557	Intermediate Similarity	NPC278832
0.7557	Intermediate Similarity	NPC215109
0.7557	Intermediate Similarity	NPC64157
0.7557	Intermediate Similarity	NPC170604
0.754	Intermediate Similarity	NPC26532
0.7519	Intermediate Similarity	NPC201370
0.7519	Intermediate Similarity	NPC67003
0.7519	Intermediate Similarity	NPC473983
0.75	Intermediate Similarity	NPC212918
0.75	Intermediate Similarity	NPC298190
0.75	Intermediate Similarity	NPC107482
0.7481	Intermediate Similarity	NPC303217
0.7481	Intermediate Similarity	NPC476946
0.748	Intermediate Similarity	NPC120836
0.748	Intermediate Similarity	NPC223063
0.7479	Intermediate Similarity	NPC11821
0.746	Intermediate Similarity	NPC141059
0.7444	Intermediate Similarity	NPC202260
0.7442	Intermediate Similarity	NPC471817
0.7438	Intermediate Similarity	NPC87466
0.7436	Intermediate Similarity	NPC57879
0.7436	Intermediate Similarity	NPC54626
0.7436	Intermediate Similarity	NPC277525
0.7426	Intermediate Similarity	NPC476944
0.7422	Intermediate Similarity	NPC939
0.7419	Intermediate Similarity	NPC69403
0.7419	Intermediate Similarity	NPC291189
0.7417	Intermediate Similarity	NPC76844
0.7417	Intermediate Similarity	NPC316062
0.7407	Intermediate Similarity	NPC233791
0.7407	Intermediate Similarity	NPC52412
0.7405	Intermediate Similarity	NPC159786
0.7398	Intermediate Similarity	NPC97566
0.7398	Intermediate Similarity	NPC115859
0.7391	Intermediate Similarity	NPC219969
0.7388	Intermediate Similarity	NPC90296
0.7385	Intermediate Similarity	NPC470740
0.7385	Intermediate Similarity	NPC471006
0.7381	Intermediate Similarity	NPC83301
0.7364	Intermediate Similarity	NPC475092
0.7353	Intermediate Similarity	NPC243577
0.7348	Intermediate Similarity	NPC204592
0.7344	Intermediate Similarity	NPC59502
0.7339	Intermediate Similarity	NPC36255
0.7323	Intermediate Similarity	NPC474476
0.7313	Intermediate Similarity	NPC107571
0.7311	Intermediate Similarity	NPC53953
0.7308	Intermediate Similarity	NPC471995
0.7299	Intermediate Similarity	NPC137295
0.7287	Intermediate Similarity	NPC21460
0.7287	Intermediate Similarity	NPC238309
0.7279	Intermediate Similarity	NPC263337
0.7279	Intermediate Similarity	NPC121158
0.7273	Intermediate Similarity	NPC59035
0.7273	Intermediate Similarity	NPC92941
0.7273	Intermediate Similarity	NPC79202
0.7266	Intermediate Similarity	NPC250228
0.7259	Intermediate Similarity	NPC148374
0.7257	Intermediate Similarity	NPC217226
0.7252	Intermediate Similarity	NPC214097
0.725	Intermediate Similarity	NPC114144
0.7246	Intermediate Similarity	NPC185456
0.7246	Intermediate Similarity	NPC5676
0.7244	Intermediate Similarity	NPC216810
0.7244	Intermediate Similarity	NPC473626
0.7231	Intermediate Similarity	NPC298268
0.7226	Intermediate Similarity	NPC267632

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC177331 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	152
0.1-0.2	838
0.2-0.3	1967
0.3-0.4	3004
0.4-0.5	2052
0.5-0.6	961
0.6-0.7	182
0.7-0.8	5
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
0.75	Intermediate Similarity	NPD9092	Discovery
0.7185	Intermediate Similarity	NPD2343	Clinical (unspecified phase)
0.7167	Intermediate Similarity	NPD1241	Discontinued
0.7143	Intermediate Similarity	NPD9717	Approved
0.7	Intermediate Similarity	NPD9494	Approved
0.6977	Remote Similarity	NPD1049	Clinical (unspecified phase)
0.6934	Remote Similarity	NPD2344	Approved
0.6918	Remote Similarity	NPD5760	Phase 2
0.6918	Remote Similarity	NPD5761	Phase 2
0.688	Remote Similarity	NPD9545	Approved
0.6864	Remote Similarity	NPD3134	Approved
0.6846	Remote Similarity	NPD1203	Approved
0.6818	Remote Similarity	NPD6832	Phase 2
0.6797	Remote Similarity	NPD1547	Clinical (unspecified phase)
0.6786	Remote Similarity	NPD4628	Phase 3
0.675	Remote Similarity	NPD2684	Approved
0.6739	Remote Similarity	NPD1551	Phase 2
0.6738	Remote Similarity	NPD2309	Approved
0.672	Remote Similarity	NPD9493	Approved
0.6718	Remote Similarity	NPD2797	Approved
0.6714	Remote Similarity	NPD7421	Clinical (unspecified phase)
0.6667	Remote Similarity	NPD290	Approved
0.6667	Remote Similarity	NPD5647	Approved
0.6667	Remote Similarity	NPD1019	Discontinued
0.6667	Remote Similarity	NPD1358	Approved
0.6641	Remote Similarity	NPD1778	Approved
0.6618	Remote Similarity	NPD3142	Approved
0.6618	Remote Similarity	NPD3140	Approved
0.6615	Remote Similarity	NPD3972	Approved
0.6614	Remote Similarity	NPD1894	Discontinued
0.6593	Remote Similarity	NPD411	Approved
0.6589	Remote Similarity	NPD3496	Discontinued
0.6583	Remote Similarity	NPD968	Approved
0.6569	Remote Similarity	NPD447	Suspended
0.6552	Remote Similarity	NPD6273	Approved
0.6547	Remote Similarity	NPD4308	Phase 3
0.6547	Remote Similarity	NPD2799	Discontinued
0.6541	Remote Similarity	NPD2798	Approved
0.6532	Remote Similarity	NPD7843	Approved
0.6515	Remote Similarity	NPD1876	Approved
0.6504	Remote Similarity	NPD2181	Clinical (unspecified phase)
0.6471	Remote Similarity	NPD2313	Discontinued
0.6471	Remote Similarity	NPD3268	Approved
0.6466	Remote Similarity	NPD6362	Approved
0.6458	Remote Similarity	NPD7440	Discontinued
0.6449	Remote Similarity	NPD1899	Clinical (unspecified phase)
0.6439	Remote Similarity	NPD4379	Clinical (unspecified phase)
0.6434	Remote Similarity	NPD5585	Approved
0.6429	Remote Similarity	NPD7033	Discontinued
0.6408	Remote Similarity	NPD1549	Phase 2
0.6403	Remote Similarity	NPD6653	Approved
0.64	Remote Similarity	NPD821	Approved
0.6391	Remote Similarity	NPD3225	Approved
0.6383	Remote Similarity	NPD2796	Approved
0.6383	Remote Similarity	NPD2935	Discontinued
0.6378	Remote Similarity	NPD7157	Approved
0.6377	Remote Similarity	NPD1240	Approved
0.637	Remote Similarity	NPD4661	Approved
0.637	Remote Similarity	NPD4662	Approved
0.6364	Remote Similarity	NPD9697	Approved
0.6364	Remote Similarity	NPD1608	Approved
0.6364	Remote Similarity	NPD1481	Phase 2
0.6356	Remote Similarity	NPD1238	Approved
0.635	Remote Similarity	NPD6859	Clinical (unspecified phase)
0.635	Remote Similarity	NPD6798	Discontinued
0.6345	Remote Similarity	NPD643	Clinical (unspecified phase)
0.6341	Remote Similarity	NPD2182	Approved
0.6338	Remote Similarity	NPD6006	Clinical (unspecified phase)
0.6338	Remote Similarity	NPD1550	Clinical (unspecified phase)
0.6338	Remote Similarity	NPD1552	Clinical (unspecified phase)
0.6338	Remote Similarity	NPD1471	Phase 3
0.6338	Remote Similarity	NPD6003	Clinical (unspecified phase)
0.6338	Remote Similarity	NPD6002	Phase 3
0.6338	Remote Similarity	NPD6005	Phase 3
0.6338	Remote Similarity	NPD6004	Phase 3
0.6331	Remote Similarity	NPD1933	Approved
0.6331	Remote Similarity	NPD6355	Discontinued
0.6319	Remote Similarity	NPD1878	Clinical (unspecified phase)
0.6316	Remote Similarity	NPD5616	Clinical (unspecified phase)
0.6316	Remote Similarity	NPD9365	Approved
0.6309	Remote Similarity	NPD5808	Clinical (unspecified phase)
0.6306	Remote Similarity	NPD4575	Clinical (unspecified phase)
0.6304	Remote Similarity	NPD4062	Phase 3
0.6304	Remote Similarity	NPD6233	Phase 2
0.6301	Remote Similarity	NPD6799	Approved
0.6288	Remote Similarity	NPD1535	Discovery
0.6286	Remote Similarity	NPD1607	Approved
0.6284	Remote Similarity	NPD5403	Approved
0.6284	Remote Similarity	NPD3873	Phase 3
0.6284	Remote Similarity	NPD3869	Phase 3
0.6284	Remote Similarity	NPD920	Approved
0.6279	Remote Similarity	NPD5536	Phase 2
0.6275	Remote Similarity	NPD3882	Suspended
0.6273	Remote Similarity	NPD6559	Discontinued
0.6259	Remote Similarity	NPD4307	Phase 2
0.6259	Remote Similarity	NPD642	Clinical (unspecified phase)
0.6259	Remote Similarity	NPD4378	Clinical (unspecified phase)
0.625	Remote Similarity	NPD454	Approved
0.625	Remote Similarity	NPD6671	Approved
0.6232	Remote Similarity	NPD3764	Approved
0.6225	Remote Similarity	NPD7411	Suspended
0.6224	Remote Similarity	NPD2346	Discontinued
0.6212	Remote Similarity	NPD3847	Discontinued
0.6209	Remote Similarity	NPD2296	Approved
0.6207	Remote Similarity	NPD3750	Approved
0.6207	Remote Similarity	NPD7003	Approved
0.62	Remote Similarity	NPD2649	Approved
0.62	Remote Similarity	NPD2651	Approved
0.6197	Remote Similarity	NPD1510	Phase 2
0.6194	Remote Similarity	NPD4359	Approved
0.6184	Remote Similarity	NPD6279	Approved
0.6184	Remote Similarity	NPD6844	Discontinued
0.6184	Remote Similarity	NPD7577	Discontinued
0.6184	Remote Similarity	NPD6280	Approved
0.6183	Remote Similarity	NPD1357	Approved
0.6181	Remote Similarity	NPD2424	Discontinued
0.6165	Remote Similarity	NPD422	Phase 1
0.6164	Remote Similarity	NPD2354	Approved
0.6164	Remote Similarity	NPD3887	Approved
0.6154	Remote Similarity	NPD4476	Approved
0.6154	Remote Similarity	NPD5712	Approved
0.6154	Remote Similarity	NPD4477	Approved
0.6149	Remote Similarity	NPD5401	Approved
0.6149	Remote Similarity	NPD7410	Clinical (unspecified phase)
0.6148	Remote Similarity	NPD1237	Approved
0.6144	Remote Similarity	NPD1006	Clinical (unspecified phase)
0.6142	Remote Similarity	NPD5535	Approved
0.6138	Remote Similarity	NPD2976	Clinical (unspecified phase)
0.6138	Remote Similarity	NPD1243	Approved
0.6136	Remote Similarity	NPD4626	Approved
0.6136	Remote Similarity	NPD17	Approved
0.6129	Remote Similarity	NPD9265	Clinical (unspecified phase)
0.6129	Remote Similarity	NPD9267	Approved
0.6129	Remote Similarity	NPD9263	Approved
0.6129	Remote Similarity	NPD9264	Approved
0.6119	Remote Similarity	NPD2231	Phase 2
0.6119	Remote Similarity	NPD2235	Phase 2
0.6116	Remote Similarity	NPD291	Approved
0.6115	Remote Similarity	NPD5262	Discontinued
0.6103	Remote Similarity	NPD3267	Approved
0.6103	Remote Similarity	NPD3266	Approved
0.6087	Remote Similarity	NPD9258	Approved
0.6087	Remote Similarity	NPD2614	Approved
0.6087	Remote Similarity	NPD9256	Approved
0.6084	Remote Similarity	NPD8434	Phase 2
0.6081	Remote Similarity	NPD6143	Clinical (unspecified phase)
0.608	Remote Similarity	NPD9266	Approved
0.608	Remote Similarity	NPD74	Approved
0.6078	Remote Similarity	NPD6801	Discontinued
0.6074	Remote Similarity	NPD3685	Discontinued
0.6074	Remote Similarity	NPD6583	Phase 3
0.6074	Remote Similarity	NPD6765	Approved
0.6074	Remote Similarity	NPD6582	Phase 2
0.6074	Remote Similarity	NPD6764	Approved
0.6065	Remote Similarity	NPD7768	Phase 2
0.6061	Remote Similarity	NPD5691	Approved
0.6058	Remote Similarity	NPD6007	Clinical (unspecified phase)
0.6053	Remote Similarity	NPD4380	Phase 2
0.6053	Remote Similarity	NPD6599	Discontinued
0.6047	Remote Similarity	NPD690	Clinical (unspecified phase)
0.6045	Remote Similarity	NPD1091	Approved
0.6043	Remote Similarity	NPD5952	Clinical (unspecified phase)
0.6043	Remote Similarity	NPD5163	Phase 2
0.6042	Remote Similarity	NPD2240	Approved
0.6042	Remote Similarity	NPD2239	Approved
0.604	Remote Similarity	NPD7004	Clinical (unspecified phase)
0.6039	Remote Similarity	NPD7096	Clinical (unspecified phase)
0.6039	Remote Similarity	NPD2393	Clinical (unspecified phase)
0.6039	Remote Similarity	NPD7819	Suspended
0.6029	Remote Similarity	NPD1283	Approved
0.6028	Remote Similarity	NPD4140	Approved
0.6026	Remote Similarity	NPD3749	Approved
0.6026	Remote Similarity	NPD4381	Clinical (unspecified phase)
0.6026	Remote Similarity	NPD7075	Discontinued
0.6025	Remote Similarity	NPD2163	Approved
0.6016	Remote Similarity	NPD164	Approved
0.6015	Remote Similarity	NPD6516	Phase 2
0.6015	Remote Similarity	NPD5846	Approved
0.6014	Remote Similarity	NPD743	Approved
0.6	Remote Similarity	NPD6800	Clinical (unspecified phase)
0.6	Remote Similarity	NPD2355	Clinical (unspecified phase)
0.6	Remote Similarity	NPD9295	Approved
0.6	Remote Similarity	NPD8443	Clinical (unspecified phase)
0.6	Remote Similarity	NPD2186	Approved
0.6	Remote Similarity	NPD2353	Approved
0.6	Remote Similarity	NPD5402	Approved
0.6	Remote Similarity	NPD5049	Phase 3
0.5987	Remote Similarity	NPD919	Approved
0.5987	Remote Similarity	NPD3226	Approved
0.5987	Remote Similarity	NPD7458	Discontinued
0.5986	Remote Similarity	NPD4109	Clinical (unspecified phase)
0.5986	Remote Similarity	NPD4618	Approved
0.5986	Remote Similarity	NPD4622	Approved
0.5986	Remote Similarity	NPD230	Phase 1
0.5986	Remote Similarity	NPD6398	Clinical (unspecified phase)
0.5986	Remote Similarity	NPD4110	Phase 3
0.5985	Remote Similarity	NPD1548	Phase 1
0.5974	Remote Similarity	NPD1934	Approved
0.5972	Remote Similarity	NPD3748	Approved
0.5969	Remote Similarity	NPD9069	Phase 1

Structure

NPC177331 OpenBabel07101718322D 23 23 0 0 0 0 0 0 0 0999 V2000 8.2942 7.0388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4282 8.5388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5622 6.0388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9641 4.5388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3660 3.0388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5622 7.0388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6962 5.5388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8301 4.0388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0981 4.0388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3660 4.0388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5000 2.5388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3090 0.9511 0.0000 C 0 0 0 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 6.5622 4.0388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2321 5.5388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3090 0.9511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4282 7.5388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6962 4.5388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2321 4.5388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5000 1.5388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5622 3.0388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3660 6.0388 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 17 1 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 6 17 2 0 0 0 0 7 18 1 0 0 0 0 8 18 2 0 0 0 0 9 19 1 0 0 0 0 10 19 2 0 0 0 0 11 20 1 0 0 0 0 12 13 2 0 0 0 0 12 20 1 0 0 0 0 13 23 1 0 0 0 0 14 18 1 0 0 0 0 14 21 1 0 0 0 0 15 19 1 0 0 0 0 15 22 1 0 0 0 0 16 20 2 0 0 0 0 16 23 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	24799153
ChEMBL	CHEMBL256554
ZINC

Physicochemical Properties

Molecular Weight:	318.22
ALogP:	2.0031
MLogP:	3.33
XLogP:	2.939
# Rotatable Bonds:	15
Polar Surface Area:	53.6
# H-Bond Aceptor:	2
# H-Bond Donor:	2
# Rings:	1
# Heavy Atoms:	23

Download Data

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