NPASS Natural Product

Natural Product: NPC79027

Natural Product ID:	NPC79027
Common Name:	Isocoronarin D
IUPAC Name:	(3E,4R)-3-[2-[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethylidene]-4-hydroxyoxolan-2-one
Synonyms:	Isocoronarin D
Molecular Formula:	C20H30O3
Standard InCHIKey:	WCYYIFXENZTEHA-HBSPNOSKSA-N
Standard InCHI:	InChI=1S/C20H30O3/c1-13-6-9-17-19(2,3)10-5-11-20(17,4)15(13)8-7-14-16(21)12-23-18(14)22/h7,15-17,21H,1,5-6,8-12H2,2-4H3/b14-7+/t15-,16-,17-,20+/m0/s1
Canonical SMILES:	C=C1CC[C@@H]2[C@]([C@H]1C/C=C/1[C@@H](O)COC1=O)(C)CCCC2(C)C
First Find Year:
Max Developmental Stage:
Synthetic Gene Cluster:	;

Species Source

Organism ID	Organism Name	Taxonomy Level	Family	SuperKingdom	Isolation Part	Reference
NPO26175	Spongionella gracilis	Species	Dictyodendrillidae	Eukaryota		UNPD*
NPO26306	Pyrobaculum organotrophum	Species	Thermoproteaceae	Archaea		UNPD*
NPO25996	Stenolobium stans	NA	NA	NA		UNPD*
NPO15693	Guadua angustifolia	Species	Poaceae	Eukaryota		UNPD*
NPO23410	Potentilla candicans	Species	Rosaceae	Eukaryota		UNPD*
NPO13051	Perymenium jelskii	Species	Asteraceae	Eukaryota		UNPD*
NPO25264	Cerbera odollam	Species	Apocynaceae	Eukaryota		UNPD*
NPO10372	Kiggelaria africana	Species	Achariaceae	Eukaryota		UNPD*
NPO26846	Guettarda noumeana	Species	Rubiaceae	Eukaryota		UNPD*
NPO25393	Coelogyne flavida	Species	Orchidaceae	Eukaryota		UNPD*
NPO22353	Lucilia caesar	Species	Calliphoridae	Eukaryota		UNPD*
NPO15897	Hedychium forrestii	Species	Zingiberaceae	Eukaryota		TCMID*
NPO25518	Hedychium coronarium	Species	Zingiberaceae	Eukaryota		UNPD*
NPO25469	Lupinus luteus	Species	Fabaceae	Eukaryota		UNPD*
NPO26481	Astragalus kabadianus	Species	Fabaceae	Eukaryota		UNPD*
NPO25086	Viburnum betulifolium	Species	Adoxaceae	Eukaryota		UNPD*
NPO26079	Asterococcus muratae	Species	Cerococcidae	Eukaryota		UNPD*
NPO25803	Strychnos elaeocarpa	Species	Loganiaceae	Eukaryota		UNPD*
NPO26643	Cichorium endivia	Species	Asteraceae	Eukaryota		UNPD*
NPO17771	Senna didymobotrya	Species	Fabaceae	Eukaryota		UNPD*
NPO25575	Streptomyces pseudovenezuelae	Species	Streptomycetaceae	Bacteria		UNPD*
NPO26676	Daphne arisanensis	Species	Thymelaeaceae	Eukaryota		UNPD*
NPO7465	Vachellia leucophloea	Species	Fabaceae	Eukaryota		UNPD*
NPO26113	Strychnos wallichiana	Species	Loganiaceae	Eukaryota		UNPD*
NPO26743	Lippia adoensis	Species	Verbenaceae	Eukaryota		UNPD*
NPO29093	Homalium longifolium	Species	Salicaceae	Eukaryota		UNPD*
NPO26610	Spiraea formosana	Species	Rosaceae	Eukaryota		UNPD*
NPO26208	Brombya platynema	Species	Rutaceae	Eukaryota		UNPD*
NPO22901	Curcuma comosa	Species	Zingiberaceae	Eukaryota	Aerial parts	PMID[20196571]
NPO23589	Pecten irradians	Species	Pectinidae	Eukaryota		UNPD*
NPO25962	Rhamnus cathartica	Species	Rhamnaceae	Eukaryota		UNPD*
NPO13072	Rhamnus formosana	Species	Rhamnaceae	Eukaryota		UNPD*
NPO24733	Celastrus dispermus	Species	Celastraceae	Eukaryota		UNPD*
NPO26456	Jaborosa leucotricha	Species	Solanaceae	Eukaryota		UNPD*
NPO26524	Chondria californica	Species	Rhodomelaceae	Eukaryota		UNPD*
NPO24608	Gaertnera morindoides	Species	Rubiaceae	Eukaryota		UNPD*
NPO19916	Phenax angustifolius	Species	Urticaceae	Eukaryota		UNPD*
NPO14283	Ponera metallica	Species	Formicidae	Eukaryota		UNPD*
NPO24894	Parmelia tinctina	Species	Parmeliaceae	Eukaryota		UNPD*
NPO25732	Trichilia havanensis	Species	Meliaceae	Eukaryota		UNPD*
NPO26392	Piptadenia colubrina	Species	Fabaceae	Eukaryota		UNPD*
NPO24829	Gyrostroma missouriense	NA	NA	NA		UNPD*
NPO21639	Prunus mahaleb	Species	Rosaceae	Eukaryota		UNPD*
NPO25768	Senecio ruwenzoriensis	Species	Asteraceae	Eukaryota		UNPD*
NPO25906	Acacia linarioides	Species	Fabaceae	Eukaryota		UNPD*
NPO26816	Clinopodium gracile	Species	Lamiaceae	Eukaryota		UNPD*
NPO25582	Aquilegia viridiflora	Species	Ranunculaceae	Eukaryota		UNPD*
NPO26357	Trachyrhamphus serratus	Species	Syngnathidae	Eukaryota		UNPD*
NPO26554	Hexagonia speciosa	Species	Carabidae	Eukaryota		UNPD*
NPO28819	Veronica liwanensis	Species	Plantaginaceae	Eukaryota		UNPD*
NPO25854	Tripterospermum lanceolatum	Species	Gentianaceae	Eukaryota		UNPD*
NPO5033	Alpinia galanga	Species	Zingiberaceae	Eukaryota		TM-MC*

Biological Activity

Activity Type	# Activity
Others	2

Activity Type	# Activity
Cell Line	2

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT111	Cell Line	K562	Homo sapiens	FC	=	1.6		20196571
NPT111	Cell Line	K562	Homo sapiens	Activity	=	80.7	%	20196571

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 NPC79027 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	108
0.1-0.2	561
0.2-0.3	2811
0.3-0.4	5418
0.4-0.5	11299
0.5-0.6	4976
0.6-0.7	5009
0.7-0.8	675
0.8-0.85	26
0.85-0.9	3
0.9-0.95	3
0.95-1	0

Similarity Score	Similarity Level	Natural Product ID
0.9121	High Similarity	NPC124512
0.9121	High Similarity	NPC159763
0.9121	High Similarity	NPC278386
0.8804	High Similarity	NPC73911
0.8652	High Similarity	NPC474396
0.8652	High Similarity	NPC50488
0.8462	Intermediate Similarity	NPC72845
0.8462	Intermediate Similarity	NPC472814
0.8462	Intermediate Similarity	NPC177037
0.8409	Intermediate Similarity	NPC217394
0.8391	Intermediate Similarity	NPC42476
0.8315	Intermediate Similarity	NPC329692
0.828	Intermediate Similarity	NPC57117
0.8214	Intermediate Similarity	NPC301207
0.8182	Intermediate Similarity	NPC311070
0.8172	Intermediate Similarity	NPC115021
0.8118	Intermediate Similarity	NPC474818
0.8118	Intermediate Similarity	NPC51809
0.8118	Intermediate Similarity	NPC176329
0.8118	Intermediate Similarity	NPC49302
0.8118	Intermediate Similarity	NPC125365
0.8105	Intermediate Similarity	NPC242848
0.8081	Intermediate Similarity	NPC296950
0.8081	Intermediate Similarity	NPC146731
0.8068	Intermediate Similarity	NPC16321
0.8023	Intermediate Similarity	NPC221095
0.8023	Intermediate Similarity	NPC279214
0.8023	Intermediate Similarity	NPC473471
0.8021	Intermediate Similarity	NPC474343
0.8021	Intermediate Similarity	NPC475709
0.8	Intermediate Similarity	NPC127118
0.8	Intermediate Similarity	NPC209113
0.7981	Intermediate Similarity	NPC264153
0.7979	Intermediate Similarity	NPC53555
0.7959	Intermediate Similarity	NPC303559
0.7957	Intermediate Similarity	NPC51486
0.7957	Intermediate Similarity	NPC182136
0.7935	Intermediate Similarity	NPC474629
0.7917	Intermediate Similarity	NPC473153
0.7872	Intermediate Similarity	NPC303697
0.7864	Intermediate Similarity	NPC235014
0.7826	Intermediate Similarity	NPC473891
0.7812	Intermediate Similarity	NPC209355
0.7802	Intermediate Similarity	NPC86316
0.7802	Intermediate Similarity	NPC106416
0.7789	Intermediate Similarity	NPC156553
0.7789	Intermediate Similarity	NPC152778
0.7789	Intermediate Similarity	NPC469645
0.7789	Intermediate Similarity	NPC469692
0.7789	Intermediate Similarity	NPC139692
0.7789	Intermediate Similarity	NPC162615
0.7789	Intermediate Similarity	NPC205034
0.7778	Intermediate Similarity	NPC161045
0.7778	Intermediate Similarity	NPC469
0.7766	Intermediate Similarity	NPC78973
0.7766	Intermediate Similarity	NPC310479
0.7766	Intermediate Similarity	NPC15059
0.7755	Intermediate Similarity	NPC316598
0.7755	Intermediate Similarity	NPC473154
0.7753	Intermediate Similarity	NPC150502
0.7745	Intermediate Similarity	NPC67321
0.7745	Intermediate Similarity	NPC187435
0.7742	Intermediate Similarity	NPC472810
0.7742	Intermediate Similarity	NPC476803
0.7742	Intermediate Similarity	NPC472809
0.7732	Intermediate Similarity	NPC234993
0.7732	Intermediate Similarity	NPC134072
0.7717	Intermediate Similarity	NPC131813
0.7714	Intermediate Similarity	NPC269530
0.7708	Intermediate Similarity	NPC121825
0.7701	Intermediate Similarity	NPC262747
0.7692	Intermediate Similarity	NPC5103
0.7692	Intermediate Similarity	NPC474865
0.7692	Intermediate Similarity	NPC29133
0.7677	Intermediate Similarity	NPC38855
0.7677	Intermediate Similarity	NPC476299
0.7677	Intermediate Similarity	NPC474012
0.767	Intermediate Similarity	NPC306265
0.7667	Intermediate Similarity	NPC474959
0.7667	Intermediate Similarity	NPC475046
0.7667	Intermediate Similarity	NPC11383
0.7667	Intermediate Similarity	NPC310450
0.766	Intermediate Similarity	NPC168131
0.766	Intermediate Similarity	NPC174342
0.7647	Intermediate Similarity	NPC477125
0.7634	Intermediate Similarity	NPC312561
0.7629	Intermediate Similarity	NPC183012
0.7624	Intermediate Similarity	NPC159533
0.7619	Intermediate Similarity	NPC470961
0.7614	Intermediate Similarity	NPC279532
0.7614	Intermediate Similarity	NPC209135
0.7614	Intermediate Similarity	NPC474816
0.7609	Intermediate Similarity	NPC476602
0.7609	Intermediate Similarity	NPC30984
0.7609	Intermediate Similarity	NPC329738
0.7609	Intermediate Similarity	NPC11804
0.7609	Intermediate Similarity	NPC65661
0.7604	Intermediate Similarity	NPC472812
0.76	Intermediate Similarity	NPC469657
0.76	Intermediate Similarity	NPC244456
0.7596	Intermediate Similarity	NPC475065
0.7593	Intermediate Similarity	NPC20302
0.7593	Intermediate Similarity	NPC470492
0.7593	Intermediate Similarity	NPC470493
0.7593	Intermediate Similarity	NPC140055
0.7593	Intermediate Similarity	NPC183580
0.7593	Intermediate Similarity	NPC312824
0.7593	Intermediate Similarity	NPC167606
0.7593	Intermediate Similarity	NPC286528
0.7586	Intermediate Similarity	NPC4509
0.7582	Intermediate Similarity	NPC229799
0.7582	Intermediate Similarity	NPC284472
0.7582	Intermediate Similarity	NPC286770
0.7582	Intermediate Similarity	NPC472377
0.7579	Intermediate Similarity	NPC221111
0.7579	Intermediate Similarity	NPC280149
0.7579	Intermediate Similarity	NPC253186
0.7576	Intermediate Similarity	NPC23364
0.7573	Intermediate Similarity	NPC91034
0.7573	Intermediate Similarity	NPC329048
0.7573	Intermediate Similarity	NPC330011
0.757	Intermediate Similarity	NPC67259
0.757	Intermediate Similarity	NPC147912
0.7558	Intermediate Similarity	NPC168975
0.7558	Intermediate Similarity	NPC75485
0.7553	Intermediate Similarity	NPC476805
0.7551	Intermediate Similarity	NPC16967
0.7547	Intermediate Similarity	NPC191620
0.7528	Intermediate Similarity	NPC99651
0.7527	Intermediate Similarity	NPC478112
0.7527	Intermediate Similarity	NPC469910
0.7526	Intermediate Similarity	NPC469697
0.7526	Intermediate Similarity	NPC53685
0.7526	Intermediate Similarity	NPC191521
0.7525	Intermediate Similarity	NPC472815
0.7523	Intermediate Similarity	NPC709
0.7523	Intermediate Similarity	NPC50774
0.75	Intermediate Similarity	NPC475418
0.75	Intermediate Similarity	NPC31086
0.75	Intermediate Similarity	NPC233345
0.75	Intermediate Similarity	NPC477783
0.75	Intermediate Similarity	NPC318363
0.75	Intermediate Similarity	NPC186363
0.75	Intermediate Similarity	NPC47024
0.75	Intermediate Similarity	NPC472811
0.75	Intermediate Similarity	NPC473482
0.7477	Intermediate Similarity	NPC469454
0.7477	Intermediate Similarity	NPC469496
0.7477	Intermediate Similarity	NPC469463
0.7475	Intermediate Similarity	NPC287668
0.7475	Intermediate Similarity	NPC205143
0.7474	Intermediate Similarity	NPC5509
0.7474	Intermediate Similarity	NPC82876
0.7474	Intermediate Similarity	NPC251528
0.7474	Intermediate Similarity	NPC470734
0.7473	Intermediate Similarity	NPC94200
0.7455	Intermediate Similarity	NPC264954
0.7453	Intermediate Similarity	NPC179798
0.7453	Intermediate Similarity	NPC474315
0.7453	Intermediate Similarity	NPC304180
0.7451	Intermediate Similarity	NPC69171
0.7451	Intermediate Similarity	NPC476237
0.7451	Intermediate Similarity	NPC471938
0.7451	Intermediate Similarity	NPC474165
0.7447	Intermediate Similarity	NPC166857
0.7447	Intermediate Similarity	NPC181103
0.7429	Intermediate Similarity	NPC474243
0.7426	Intermediate Similarity	NPC308824
0.7423	Intermediate Similarity	NPC166346
0.7419	Intermediate Similarity	NPC35933
0.7419	Intermediate Similarity	NPC471795
0.7419	Intermediate Similarity	NPC52628
0.7419	Intermediate Similarity	NPC329630
0.7419	Intermediate Similarity	NPC470755
0.7412	Intermediate Similarity	NPC189745
0.7404	Intermediate Similarity	NPC473284
0.74	Intermediate Similarity	NPC278008
0.74	Intermediate Similarity	NPC141191
0.74	Intermediate Similarity	NPC474440
0.7396	Intermediate Similarity	NPC477782
0.7396	Intermediate Similarity	NPC158488
0.7396	Intermediate Similarity	NPC232426
0.7396	Intermediate Similarity	NPC474232
0.7396	Intermediate Similarity	NPC469368
0.7396	Intermediate Similarity	NPC281942
0.7396	Intermediate Similarity	NPC472307
0.7391	Intermediate Similarity	NPC79945
0.7391	Intermediate Similarity	NPC49208
0.7391	Intermediate Similarity	NPC22611
0.7391	Intermediate Similarity	NPC23748
0.7391	Intermediate Similarity	NPC44261
0.7387	Intermediate Similarity	NPC474370
0.7386	Intermediate Similarity	NPC203277
0.7379	Intermediate Similarity	NPC471937
0.7379	Intermediate Similarity	NPC258532
0.7379	Intermediate Similarity	NPC203659
0.7374	Intermediate Similarity	NPC162346
0.7368	Intermediate Similarity	NPC472378
0.7368	Intermediate Similarity	NPC104560
0.7368	Intermediate Similarity	NPC226863

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC79027 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	127
0.1-0.2	943
0.2-0.3	3636
0.3-0.4	3046
0.4-0.5	917
0.5-0.6	296
0.6-0.7	184
0.7-0.8	11
0.8-0.85	0
0.85-0.9	0
0.9-0.95	1
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.9121	High Similarity	NPD4225	Approved
0.7593	Intermediate Similarity	NPD7115	Discovery
0.75	Intermediate Similarity	NPD7637	Suspended
0.7333	Intermediate Similarity	NPD6686	Approved
0.7312	Intermediate Similarity	NPD6400	Clinical (unspecified phase)
0.7283	Intermediate Similarity	NPD4752	Clinical (unspecified phase)
0.7216	Intermediate Similarity	NPD5785	Approved
0.7157	Intermediate Similarity	NPD7640	Approved
0.7157	Intermediate Similarity	NPD7639	Approved
0.71	Intermediate Similarity	NPD1698	Clinical (unspecified phase)
0.7059	Intermediate Similarity	NPD7638	Approved
0.7037	Intermediate Similarity	NPD6371	Approved
0.6875	Remote Similarity	NPD1694	Approved
0.6869	Remote Similarity	NPD6698	Approved
0.6869	Remote Similarity	NPD46	Approved
0.6762	Remote Similarity	NPD5344	Discontinued
0.6759	Remote Similarity	NPD7899	Clinical (unspecified phase)
0.6737	Remote Similarity	NPD5209	Approved
0.6731	Remote Similarity	NPD8029	Clinical (unspecified phase)
0.6701	Remote Similarity	NPD5363	Approved
0.67	Remote Similarity	NPD7838	Discovery
0.6636	Remote Similarity	NPD4061	Clinical (unspecified phase)
0.6569	Remote Similarity	NPD5779	Approved
0.6569	Remote Similarity	NPD5778	Approved
0.6569	Remote Similarity	NPD6399	Phase 3
0.6566	Remote Similarity	NPD7524	Approved
0.6542	Remote Similarity	NPD7632	Discontinued
0.6476	Remote Similarity	NPD6083	Phase 2
0.6476	Remote Similarity	NPD6084	Phase 2
0.6471	Remote Similarity	NPD6411	Approved
0.6471	Remote Similarity	NPD7983	Approved
0.6465	Remote Similarity	NPD7146	Approved
0.6465	Remote Similarity	NPD5330	Approved
0.6465	Remote Similarity	NPD6684	Approved
0.6465	Remote Similarity	NPD7521	Approved
0.6465	Remote Similarity	NPD3618	Phase 1
0.6465	Remote Similarity	NPD7334	Approved
0.6465	Remote Similarity	NPD6409	Approved
0.6429	Remote Similarity	NPD3665	Phase 1
0.6429	Remote Similarity	NPD3666	Approved
0.6429	Remote Similarity	NPD5955	Clinical (unspecified phase)
0.6429	Remote Similarity	NPD3133	Approved
0.6415	Remote Similarity	NPD5696	Approved
0.6392	Remote Similarity	NPD3667	Approved
0.6392	Remote Similarity	NPD4270	Approved
0.6392	Remote Similarity	NPD4269	Approved
0.6383	Remote Similarity	NPD5776	Phase 2
0.6383	Remote Similarity	NPD6925	Approved
0.6364	Remote Similarity	NPD6082	Clinical (unspecified phase)
0.6364	Remote Similarity	NPD1733	Clinical (unspecified phase)
0.6356	Remote Similarity	NPD6319	Approved
0.6355	Remote Similarity	NPD6648	Approved
0.6354	Remote Similarity	NPD7332	Phase 2
0.6354	Remote Similarity	NPD7514	Phase 3
0.6354	Remote Similarity	NPD4252	Approved
0.6354	Remote Similarity	NPD5790	Clinical (unspecified phase)
0.6346	Remote Similarity	NPD7748	Approved
0.6341	Remote Similarity	NPD7319	Approved
0.6337	Remote Similarity	NPD6903	Approved
0.6337	Remote Similarity	NPD7513	Clinical (unspecified phase)
0.6327	Remote Similarity	NPD7154	Phase 3
0.6327	Remote Similarity	NPD6695	Phase 3
0.6325	Remote Similarity	NPD7328	Approved
0.6325	Remote Similarity	NPD7327	Approved
0.6321	Remote Similarity	NPD7902	Approved
0.6316	Remote Similarity	NPD8297	Approved
0.6316	Remote Similarity	NPD5784	Clinical (unspecified phase)
0.6316	Remote Similarity	NPD7145	Approved
0.6316	Remote Similarity	NPD7322	Clinical (unspecified phase)
0.6311	Remote Similarity	NPD7515	Phase 2
0.6306	Remote Similarity	NPD6412	Phase 2
0.6306	Remote Similarity	NPD5697	Approved
0.6303	Remote Similarity	NPD7503	Approved
0.6303	Remote Similarity	NPD8033	Approved
0.63	Remote Similarity	NPD5786	Approved
0.6289	Remote Similarity	NPD6902	Approved
0.6286	Remote Similarity	NPD5695	Phase 3
0.6277	Remote Similarity	NPD6933	Approved
0.6275	Remote Similarity	NPD6101	Approved
0.6275	Remote Similarity	NPD6051	Approved
0.6275	Remote Similarity	NPD5764	Clinical (unspecified phase)
0.6271	Remote Similarity	NPD7516	Approved
0.6263	Remote Similarity	NPD4786	Approved
0.6263	Remote Similarity	NPD7338	Clinical (unspecified phase)
0.625	Remote Similarity	NPD6881	Approved
0.625	Remote Similarity	NPD2685	Clinical (unspecified phase)
0.625	Remote Similarity	NPD6929	Approved
0.625	Remote Similarity	NPD5345	Clinical (unspecified phase)
0.625	Remote Similarity	NPD6899	Approved
0.623	Remote Similarity	NPD7507	Approved
0.6228	Remote Similarity	NPD6650	Approved
0.6228	Remote Similarity	NPD8413	Clinical (unspecified phase)
0.6228	Remote Similarity	NPD6649	Approved
0.6226	Remote Similarity	NPD4792	Clinical (unspecified phase)
0.6218	Remote Similarity	NPD8377	Approved
0.6218	Remote Similarity	NPD8294	Approved
0.6216	Remote Similarity	NPD6675	Approved
0.6216	Remote Similarity	NPD7128	Approved
0.6216	Remote Similarity	NPD5739	Approved
0.6216	Remote Similarity	NPD6402	Approved
0.6195	Remote Similarity	NPD6372	Approved
0.6195	Remote Similarity	NPD6013	Approved
0.6195	Remote Similarity	NPD6014	Approved
0.6195	Remote Similarity	NPD6373	Approved
0.6195	Remote Similarity	NPD6012	Approved
0.619	Remote Similarity	NPD5282	Discontinued
0.6186	Remote Similarity	NPD4822	Approved
0.6186	Remote Similarity	NPD6930	Phase 2
0.6186	Remote Similarity	NPD6931	Approved
0.6186	Remote Similarity	NPD4821	Approved
0.6186	Remote Similarity	NPD4819	Approved
0.6186	Remote Similarity	NPD4695	Discontinued
0.6186	Remote Similarity	NPD4820	Approved
0.6176	Remote Similarity	NPD6672	Approved
0.6176	Remote Similarity	NPD5737	Approved
0.617	Remote Similarity	NPD8264	Approved
0.6167	Remote Similarity	NPD8379	Approved
0.6167	Remote Similarity	NPD8378	Approved
0.6167	Remote Similarity	NPD8335	Approved
0.6167	Remote Similarity	NPD8380	Approved
0.6167	Remote Similarity	NPD8516	Approved
0.6167	Remote Similarity	NPD8513	Phase 3
0.6167	Remote Similarity	NPD8517	Approved
0.6167	Remote Similarity	NPD8296	Approved
0.6167	Remote Similarity	NPD8515	Approved
0.6162	Remote Similarity	NPD5362	Discontinued
0.6161	Remote Similarity	NPD5954	Clinical (unspecified phase)
0.6161	Remote Similarity	NPD5701	Approved
0.6154	Remote Similarity	NPD5693	Phase 1
0.6154	Remote Similarity	NPD6923	Approved
0.6154	Remote Similarity	NPD6079	Approved
0.6154	Remote Similarity	NPD6922	Approved
0.6148	Remote Similarity	NPD7492	Approved
0.6146	Remote Similarity	NPD4268	Approved
0.6146	Remote Similarity	NPD4271	Approved
0.614	Remote Similarity	NPD6883	Approved
0.614	Remote Similarity	NPD7290	Approved
0.614	Remote Similarity	NPD7102	Approved
0.6139	Remote Similarity	NPD4519	Discontinued
0.6139	Remote Similarity	NPD4623	Approved
0.6139	Remote Similarity	NPD4249	Approved
0.6139	Remote Similarity	NPD5279	Phase 3
0.6139	Remote Similarity	NPD3574	Clinical (unspecified phase)
0.6136	Remote Similarity	NPD5325	Clinical (unspecified phase)
0.6132	Remote Similarity	NPD5210	Approved
0.6132	Remote Similarity	NPD4629	Approved
0.6122	Remote Similarity	NPD5369	Approved
0.6122	Remote Similarity	NPD6898	Phase 1
0.6121	Remote Similarity	NPD4632	Approved
0.6117	Remote Similarity	NPD4753	Phase 2
0.6117	Remote Similarity	NPD5328	Approved
0.6106	Remote Similarity	NPD6011	Approved
0.6106	Remote Similarity	NPD7320	Approved
0.6105	Remote Similarity	NPD3701	Clinical (unspecified phase)
0.6098	Remote Similarity	NPD6616	Approved
0.6092	Remote Similarity	NPD4191	Approved
0.6092	Remote Similarity	NPD4194	Approved
0.6092	Remote Similarity	NPD4192	Approved
0.6092	Remote Similarity	NPD4193	Approved
0.6091	Remote Similarity	NPD5211	Phase 2
0.6087	Remote Similarity	NPD7144	Approved
0.6087	Remote Similarity	NPD4691	Approved
0.6087	Remote Similarity	NPD6617	Approved
0.6087	Remote Similarity	NPD8130	Phase 1
0.6087	Remote Similarity	NPD6847	Approved
0.6087	Remote Similarity	NPD6869	Approved
0.6087	Remote Similarity	NPD7143	Approved
0.6083	Remote Similarity	NPD6054	Approved
0.6078	Remote Similarity	NPD7750	Discontinued
0.6078	Remote Similarity	NPD4250	Approved
0.6078	Remote Similarity	NPD4251	Approved
0.6071	Remote Similarity	NPD6640	Phase 3
0.6066	Remote Similarity	NPD8328	Phase 3
0.6064	Remote Similarity	NPD6926	Approved
0.6064	Remote Similarity	NPD6924	Approved
0.6048	Remote Similarity	NPD7078	Approved
0.6042	Remote Similarity	NPD6932	Approved
0.604	Remote Similarity	NPD1696	Phase 3
0.6038	Remote Similarity	NPD7901	Clinical (unspecified phase)
0.6038	Remote Similarity	NPD7900	Approved
0.6034	Remote Similarity	NPD6053	Discontinued
0.6034	Remote Similarity	NPD6882	Approved
0.6033	Remote Similarity	NPD6016	Approved
0.6033	Remote Similarity	NPD6015	Approved
0.6022	Remote Similarity	NPD7150	Approved
0.6022	Remote Similarity	NPD7151	Approved
0.6022	Remote Similarity	NPD7152	Approved
0.6	Remote Similarity	NPD4634	Approved
0.6	Remote Similarity	NPD6110	Phase 1
0.6	Remote Similarity	NPD4810	Clinical (unspecified phase)
0.6	Remote Similarity	NPD7736	Approved
0.6	Remote Similarity	NPD5331	Approved
0.6	Remote Similarity	NPD6942	Approved
0.6	Remote Similarity	NPD5332	Approved
0.6	Remote Similarity	NPD7339	Approved
0.6	Remote Similarity	NPD8039	Approved
0.5984	Remote Similarity	NPD5988	Approved
0.5984	Remote Similarity	NPD6370	Approved
0.5982	Remote Similarity	NPD5141	Approved
0.5981	Remote Similarity	NPD6356	Clinical (unspecified phase)

Structure

CID79027 OpenBabel06191715412D 23 25 0 0 1 0 0 0 0 0999 V2000 1.9487 4.7024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4128 2.7024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9128 3.5685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8147 2.2024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5468 1.2024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6808 4.7024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9487 1.7024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9487 2.7024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5468 4.2024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4128 1.7024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6808 1.7024 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 2.8147 4.2024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0827 1.2024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8147 3.2024 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1691 1.6092 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5468 3.2024 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.9781 0.2079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4128 2.7024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6808 2.7024 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0388 2.5873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7213 -0.4612 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 13 2 0 0 0 0 2 19 1 0 0 0 0 3 19 1 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 6 9 1 0 0 0 0 6 13 1 0 0 0 0 7 8 1 0 0 0 0 7 14 2 0 0 0 0 8 15 1 0 0 0 0 9 17 1 0 0 0 0 10 19 1 0 0 0 0 11 20 1 0 0 0 0 12 16 1 0 0 0 0 12 23 1 0 0 0 0 13 15 1 0 0 0 0 14 16 1 0 0 0 0 14 18 1 0 0 0 0 15 20 1 1 0 0 0 16 21 1 6 0 0 0 17 19 1 0 0 0 0 17 20 1 1 0 0 0 18 22 2 0 0 0 0 18 23 1 0 0 0 0 20 4 1 1 0 0 0 M END $$$$

External Identifiers

PubChem CID	46871816
ChEMBL	CHEMBL1099267
ZINC

Physicochemical Properties

Molecular Weight:	318.22
ALogP:	1.3357
MLogP:	3.33
XLogP:	6.123
# Rotatable Bonds:	6
Polar Surface Area:	46.53
# H-Bond Aceptor:	3
# H-Bond Donor:	1
# Rings:	3
# Heavy Atoms:	23

Download Data

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