NPASS Natural Product

Natural Product: NPC83423

Natural Product ID:	NPC83423
Common Name:	Vibsanin T
IUPAC Name:	[(1S,4E,7S,8E,10R,11R)-4-formyl-7-[(E)-4-hydroxy-4-methylpent-2-enyl]-7,11-dimethyl-12-oxabicyclo[9.1.0]dodeca-4,8-dien-10-yl] 3-methylbut-2-enoate
Synonyms:	Vibsanin T
Molecular Formula:	C25H36O5
Standard InCHIKey:	ZCZKJKIOPWIFME-XWMBFTBISA-N
Standard InCHI:	InChI=1S/C25H36O5/c1-18(2)16-22(27)29-20-11-15-24(5,13-7-12-23(3,4)28)14-10-19(17-26)8-9-21-25(20,6)30-21/h7,10-12,15-17,20-21,28H,8-9,13-14H2,1-6H3/b12-7+,15-11+,19-10+/t20-,21+,24+,25+/m1/s1
Canonical SMILES:	O=C/C/1=C/C[C@](C)(C/C=C/C(O)(C)C)/C=C/[C@H]([C@]2([C@H](CC1)O2)C)OC(=O)C=C(C)C
First Find Year:
Max Developmental Stage:
Synthetic Gene Cluster:	;

Species Source

Organism ID	Organism Name	Taxonomy Level	Family	SuperKingdom	Reference
NPO3830	Euplotes rariseta	Species	Euplotidae	Eukaryota	UNPD*
NPO9228.1	Narcissus pseudonarcissus subsp. leonensis	Subspecies	Amaryllidaceae	Eukaryota	UNPD*
NPO6310	Ruta bracteosa	Species	Rutaceae	Eukaryota	UNPD*
NPO7935	Strychnos angustiflora	Species	Loganiaceae	Eukaryota	UNPD*
NPO8103	Lecanora melanophthalma	Species	Lecanoraceae	Eukaryota	UNPD*
NPO6082	Centaurium pulchellum	Species	Gentianaceae	Eukaryota	UNPD*
NPO2476	Lonicera fulvotomentosa	Species	Caprifoliaceae	Eukaryota	UNPD*
NPO25481	Lonchocarpus oaxacensis	Species	Fabaceae	Eukaryota	UNPD*
NPO276	Miscanthus sacchariflorus	Species	Poaceae	Eukaryota	UNPD*
NPO6717	Viburnum awabuki	Species	Adoxaceae	Eukaryota	UNPD*
NPO149	Heliotropium europaeum	Species	Heliotropiaceae	Eukaryota	UNPD*
NPO6717	Viburnum awabuki	Species	Adoxaceae	Eukaryota	TCMID*
NPO10806	Achillea roseoalba	Species	Asteraceae	Eukaryota	UNPD*
NPO1355	Urechis caupo	Species	Urechidae	Eukaryota	UNPD*
NPO8404	Isodon xerophilus	Species	Lamiaceae	Eukaryota	UNPD*
NPO7060	Ficus ruficaulis	Species	Moraceae	Eukaryota	UNPD*
NPO5319	Ulmus thomasii	Species	Ulmaceae	Eukaryota	UNPD*
NPO15610	Citrus trifolia	Species	Rutaceae	Eukaryota	UNPD*
NPO7766	Pericopsis schliebenii	Species	Fabaceae	Eukaryota	UNPD*
NPO8269	Isodon nervosus	Species	Lamiaceae	Eukaryota	UNPD*
NPO2304	Byssovorax cruenta	Species	Polyangiaceae	Bacteria	UNPD*
NPO8911	Aspergillus aculeatus	Species	Aspergillaceae	Eukaryota	UNPD*
NPO9903	Engelhardia spicata	Species	Juglandaceae	Eukaryota	UNPD*
NPO4516	Fasciospongia rimosa	Species	Thorectidae	Eukaryota	UNPD*
NPO4979	Elysia grandifolia	Species	Placobranchidae	Eukaryota	UNPD*
NPO2637	Agave rigidissima	Species	Asparagaceae	Eukaryota	UNPD*
NPO5144	Berberis japonica	Species	Berberidaceae	Eukaryota	UNPD*
NPO24370	Crassocephalum crepidioides	Species	Asteraceae	Eukaryota	UNPD*

Biological Activity

Activity Type	# Activity
ED50	1

Activity Type	# Activity
Cell Line	1

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT168	Cell Line	P388	Mus musculus	ED50	<	10	ug/ml	15043405

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 NPC83423 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	136
0.1-0.2	775
0.2-0.3	2969
0.3-0.4	6202
0.4-0.5	10927
0.5-0.6	5635
0.6-0.7	3529
0.7-0.8	701
0.8-0.85	15
0.85-0.9	0
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Natural Product ID
0.8353	Intermediate Similarity	NPC136033
0.8295	Intermediate Similarity	NPC160517
0.8295	Intermediate Similarity	NPC186155
0.8295	Intermediate Similarity	NPC78673
0.8111	Intermediate Similarity	NPC61527
0.8111	Intermediate Similarity	NPC122502
0.8105	Intermediate Similarity	NPC476315
0.809	Intermediate Similarity	NPC70424
0.809	Intermediate Similarity	NPC243618
0.809	Intermediate Similarity	NPC72464
0.8043	Intermediate Similarity	NPC106040
0.8043	Intermediate Similarity	NPC115179
0.8	Intermediate Similarity	NPC11804
0.8	Intermediate Similarity	NPC14961
0.8	Intermediate Similarity	NPC270013
0.7978	Intermediate Similarity	NPC170377
0.7978	Intermediate Similarity	NPC161045
0.7957	Intermediate Similarity	NPC474761
0.7957	Intermediate Similarity	NPC476004
0.7957	Intermediate Similarity	NPC475748
0.7935	Intermediate Similarity	NPC227379
0.7935	Intermediate Similarity	NPC474471
0.7931	Intermediate Similarity	NPC471537
0.7912	Intermediate Similarity	NPC198314
0.7895	Intermediate Similarity	NPC57405
0.7895	Intermediate Similarity	NPC474035
0.7895	Intermediate Similarity	NPC81386
0.7895	Intermediate Similarity	NPC303942
0.7889	Intermediate Similarity	NPC474865
0.7889	Intermediate Similarity	NPC9868
0.7865	Intermediate Similarity	NPC85772
0.7857	Intermediate Similarity	NPC475053
0.7857	Intermediate Similarity	NPC288876
0.7841	Intermediate Similarity	NPC233377
0.7831	Intermediate Similarity	NPC469660
0.7826	Intermediate Similarity	NPC471738
0.7826	Intermediate Similarity	NPC231889
0.7826	Intermediate Similarity	NPC72513
0.7812	Intermediate Similarity	NPC36954
0.7812	Intermediate Similarity	NPC475659
0.7802	Intermediate Similarity	NPC137033
0.7802	Intermediate Similarity	NPC197903
0.7802	Intermediate Similarity	NPC99395
0.7802	Intermediate Similarity	NPC474547
0.78	Intermediate Similarity	NPC472755
0.7789	Intermediate Similarity	NPC475912
0.7789	Intermediate Similarity	NPC212486
0.7789	Intermediate Similarity	NPC476300
0.7778	Intermediate Similarity	NPC108045
0.7778	Intermediate Similarity	NPC472753
0.7778	Intermediate Similarity	NPC53867
0.7778	Intermediate Similarity	NPC475622
0.7766	Intermediate Similarity	NPC473448
0.7766	Intermediate Similarity	NPC51004
0.7766	Intermediate Similarity	NPC51653
0.7753	Intermediate Similarity	NPC141810
0.7753	Intermediate Similarity	NPC325031
0.7742	Intermediate Similarity	NPC153805
0.7742	Intermediate Similarity	NPC281516
0.7732	Intermediate Similarity	NPC473859
0.7732	Intermediate Similarity	NPC279621
0.7717	Intermediate Similarity	NPC234038
0.7717	Intermediate Similarity	NPC164393
0.7717	Intermediate Similarity	NPC469483
0.7708	Intermediate Similarity	NPC473316
0.7708	Intermediate Similarity	NPC473330
0.77	Intermediate Similarity	NPC472754
0.7692	Intermediate Similarity	NPC14575
0.7692	Intermediate Similarity	NPC196487
0.7692	Intermediate Similarity	NPC31086
0.7684	Intermediate Similarity	NPC30515
0.7684	Intermediate Similarity	NPC184463
0.7684	Intermediate Similarity	NPC303697
0.7684	Intermediate Similarity	NPC261607
0.7684	Intermediate Similarity	NPC300312
0.7684	Intermediate Similarity	NPC111114
0.7667	Intermediate Similarity	NPC474252
0.7667	Intermediate Similarity	NPC474291
0.766	Intermediate Similarity	NPC307411
0.766	Intermediate Similarity	NPC166919
0.766	Intermediate Similarity	NPC212598
0.766	Intermediate Similarity	NPC474032
0.766	Intermediate Similarity	NPC151770
0.7653	Intermediate Similarity	NPC40812
0.7647	Intermediate Similarity	NPC472751
0.7647	Intermediate Similarity	NPC472749
0.764	Intermediate Similarity	NPC474510
0.7634	Intermediate Similarity	NPC248602
0.7634	Intermediate Similarity	NPC475703
0.7634	Intermediate Similarity	NPC474765
0.7629	Intermediate Similarity	NPC477922
0.7624	Intermediate Similarity	NPC472747
0.7624	Intermediate Similarity	NPC472750
0.7614	Intermediate Similarity	NPC267231
0.7614	Intermediate Similarity	NPC93763
0.7614	Intermediate Similarity	NPC108816
0.7609	Intermediate Similarity	NPC38468
0.7609	Intermediate Similarity	NPC21469
0.7609	Intermediate Similarity	NPC261380
0.7609	Intermediate Similarity	NPC319795
0.7609	Intermediate Similarity	NPC50362
0.7604	Intermediate Similarity	NPC475838
0.7604	Intermediate Similarity	NPC295204
0.7604	Intermediate Similarity	NPC273579
0.7604	Intermediate Similarity	NPC125674
0.7604	Intermediate Similarity	NPC288240
0.7604	Intermediate Similarity	NPC228451
0.7604	Intermediate Similarity	NPC162205
0.7586	Intermediate Similarity	NPC271070
0.7582	Intermediate Similarity	NPC52609
0.7582	Intermediate Similarity	NPC1761
0.7582	Intermediate Similarity	NPC474809
0.7582	Intermediate Similarity	NPC11620
0.7582	Intermediate Similarity	NPC475947
0.7579	Intermediate Similarity	NPC49342
0.7579	Intermediate Similarity	NPC166554
0.7579	Intermediate Similarity	NPC265856
0.7579	Intermediate Similarity	NPC251385
0.7579	Intermediate Similarity	NPC469368
0.7576	Intermediate Similarity	NPC261377
0.7576	Intermediate Similarity	NPC473326
0.7576	Intermediate Similarity	NPC255592
0.7576	Intermediate Similarity	NPC141191
0.7576	Intermediate Similarity	NPC187761
0.7576	Intermediate Similarity	NPC83895
0.7576	Intermediate Similarity	NPC308567
0.7576	Intermediate Similarity	NPC474213
0.7556	Intermediate Similarity	NPC286229
0.7556	Intermediate Similarity	NPC471325
0.7556	Intermediate Similarity	NPC475481
0.7556	Intermediate Similarity	NPC79277
0.7553	Intermediate Similarity	NPC475902
0.7553	Intermediate Similarity	NPC472008
0.7553	Intermediate Similarity	NPC476704
0.7551	Intermediate Similarity	NPC477921
0.7549	Intermediate Similarity	NPC472748
0.7549	Intermediate Similarity	NPC474741
0.7528	Intermediate Similarity	NPC469690
0.7528	Intermediate Similarity	NPC617
0.7528	Intermediate Similarity	NPC469617
0.7528	Intermediate Similarity	NPC469620
0.7528	Intermediate Similarity	NPC471740
0.7528	Intermediate Similarity	NPC471299
0.7527	Intermediate Similarity	NPC150755
0.7527	Intermediate Similarity	NPC474045
0.7527	Intermediate Similarity	NPC305475
0.7527	Intermediate Similarity	NPC261253
0.7527	Intermediate Similarity	NPC220478
0.7527	Intermediate Similarity	NPC469676
0.7527	Intermediate Similarity	NPC475461
0.7526	Intermediate Similarity	NPC471147
0.7526	Intermediate Similarity	NPC167219
0.7526	Intermediate Similarity	NPC474247
0.7526	Intermediate Similarity	NPC65829
0.7525	Intermediate Similarity	NPC473596
0.75	Intermediate Similarity	NPC474776
0.75	Intermediate Similarity	NPC475441
0.75	Intermediate Similarity	NPC174314
0.75	Intermediate Similarity	NPC219874
0.75	Intermediate Similarity	NPC473321
0.75	Intermediate Similarity	NPC470373
0.75	Intermediate Similarity	NPC261398
0.75	Intermediate Similarity	NPC470379
0.7477	Intermediate Similarity	NPC56448
0.7476	Intermediate Similarity	NPC223450
0.7476	Intermediate Similarity	NPC243998
0.7475	Intermediate Similarity	NPC245521
0.7475	Intermediate Similarity	NPC169205
0.7474	Intermediate Similarity	NPC295312
0.7473	Intermediate Similarity	NPC145963
0.7473	Intermediate Similarity	NPC475690
0.7451	Intermediate Similarity	NPC309398
0.7451	Intermediate Similarity	NPC474581
0.7451	Intermediate Similarity	NPC473624
0.7451	Intermediate Similarity	NPC475367
0.7451	Intermediate Similarity	NPC473816
0.7449	Intermediate Similarity	NPC272050
0.7449	Intermediate Similarity	NPC214694
0.7449	Intermediate Similarity	NPC472469
0.7447	Intermediate Similarity	NPC179659
0.7447	Intermediate Similarity	NPC160138
0.7444	Intermediate Similarity	NPC281132
0.7429	Intermediate Similarity	NPC47951
0.7426	Intermediate Similarity	NPC133907
0.7426	Intermediate Similarity	NPC474742
0.7426	Intermediate Similarity	NPC476270
0.7426	Intermediate Similarity	NPC185141
0.7426	Intermediate Similarity	NPC303559
0.7426	Intermediate Similarity	NPC128733
0.7426	Intermediate Similarity	NPC46998
0.7426	Intermediate Similarity	NPC110443
0.7423	Intermediate Similarity	NPC469692
0.7423	Intermediate Similarity	NPC179746
0.7423	Intermediate Similarity	NPC81419
0.7423	Intermediate Similarity	NPC469645
0.7423	Intermediate Similarity	NPC476049
0.7419	Intermediate Similarity	NPC149725
0.7419	Intermediate Similarity	NPC47958
0.7419	Intermediate Similarity	NPC304509
0.7419	Intermediate Similarity	NPC474369

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC83423 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	143
0.1-0.2	1345
0.2-0.3	3530
0.3-0.4	2760
0.4-0.5	929
0.5-0.6	323
0.6-0.7	119
0.7-0.8	12
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
0.7766	Intermediate Similarity	NPD46	Approved
0.7766	Intermediate Similarity	NPD6698	Approved
0.7609	Intermediate Similarity	NPD1733	Clinical (unspecified phase)
0.7396	Intermediate Similarity	NPD5785	Approved
0.7396	Intermediate Similarity	NPD7838	Discovery
0.732	Intermediate Similarity	NPD7983	Approved
0.7273	Intermediate Similarity	NPD1698	Clinical (unspecified phase)
0.7229	Intermediate Similarity	NPD2685	Clinical (unspecified phase)
0.7204	Intermediate Similarity	NPD7154	Phase 3
0.7196	Intermediate Similarity	NPD6371	Approved
0.7117	Intermediate Similarity	NPD7115	Discovery
0.7079	Intermediate Similarity	NPD8039	Approved
0.699	Remote Similarity	NPD6648	Approved
0.6923	Remote Similarity	NPD5344	Discontinued
0.6915	Remote Similarity	NPD5209	Approved
0.6915	Remote Similarity	NPD4752	Clinical (unspecified phase)
0.69	Remote Similarity	NPD5778	Approved
0.69	Remote Similarity	NPD5779	Approved
0.6893	Remote Similarity	NPD8029	Clinical (unspecified phase)
0.6893	Remote Similarity	NPD4225	Approved
0.6875	Remote Similarity	NPD5363	Approved
0.6848	Remote Similarity	NPD5784	Clinical (unspecified phase)
0.6842	Remote Similarity	NPD5362	Discontinued
0.6804	Remote Similarity	NPD5786	Approved
0.68	Remote Similarity	NPD6411	Approved
0.6771	Remote Similarity	NPD6400	Clinical (unspecified phase)
0.6759	Remote Similarity	NPD7899	Clinical (unspecified phase)
0.6737	Remote Similarity	NPD6435	Approved
0.6702	Remote Similarity	NPD4820	Approved
0.6702	Remote Similarity	NPD4821	Approved
0.6702	Remote Similarity	NPD4822	Approved
0.6702	Remote Similarity	NPD5790	Clinical (unspecified phase)
0.6702	Remote Similarity	NPD4819	Approved
0.6701	Remote Similarity	NPD1694	Approved
0.6699	Remote Similarity	NPD7839	Suspended
0.6697	Remote Similarity	NPD6686	Approved
0.661	Remote Similarity	NPD7642	Approved
0.66	Remote Similarity	NPD1695	Approved
0.66	Remote Similarity	NPD6101	Approved
0.66	Remote Similarity	NPD5764	Clinical (unspecified phase)
0.6562	Remote Similarity	NPD4270	Approved
0.6562	Remote Similarity	NPD4269	Approved
0.6552	Remote Similarity	NPD7331	Phase 2
0.6526	Remote Similarity	NPD5368	Approved
0.6489	Remote Similarity	NPD4271	Approved
0.6489	Remote Similarity	NPD4268	Approved
0.646	Remote Similarity	NPD8297	Approved
0.6458	Remote Similarity	NPD5369	Approved
0.6396	Remote Similarity	NPD6881	Approved
0.6396	Remote Similarity	NPD6899	Approved
0.6383	Remote Similarity	NPD4756	Discovery
0.6372	Remote Similarity	NPD8413	Clinical (unspecified phase)
0.6364	Remote Similarity	NPD7507	Approved
0.6355	Remote Similarity	NPD7640	Approved
0.6355	Remote Similarity	NPD7639	Approved
0.6354	Remote Similarity	NPD4252	Approved
0.6339	Remote Similarity	NPD4061	Clinical (unspecified phase)
0.6333	Remote Similarity	NPD7829	Approved
0.6333	Remote Similarity	NPD7830	Approved
0.6327	Remote Similarity	NPD5332	Approved
0.6327	Remote Similarity	NPD5331	Approved
0.6316	Remote Similarity	NPD6053	Discontinued
0.6311	Remote Similarity	NPD7637	Suspended
0.6306	Remote Similarity	NPD5697	Approved
0.63	Remote Similarity	NPD6422	Discontinued
0.6292	Remote Similarity	NPD4247	Clinical (unspecified phase)
0.6289	Remote Similarity	NPD4790	Discontinued
0.6283	Remote Similarity	NPD5955	Clinical (unspecified phase)
0.6283	Remote Similarity	NPD6883	Approved
0.6283	Remote Similarity	NPD7290	Approved
0.6283	Remote Similarity	NPD7102	Approved
0.6262	Remote Similarity	NPD7638	Approved
0.6238	Remote Similarity	NPD3573	Approved
0.6238	Remote Similarity	NPD4250	Approved
0.6238	Remote Similarity	NPD4251	Approved
0.6228	Remote Similarity	NPD6649	Approved
0.6228	Remote Similarity	NPD6869	Approved
0.6228	Remote Similarity	NPD6617	Approved
0.6228	Remote Similarity	NPD6650	Approved
0.6228	Remote Similarity	NPD8130	Phase 1
0.6228	Remote Similarity	NPD6847	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
0.621	Remote Similarity	NPD7319	Approved
0.62	Remote Similarity	NPD6082	Clinical (unspecified phase)
0.6195	Remote Similarity	NPD6014	Approved
0.6195	Remote Similarity	NPD6013	Approved
0.6195	Remote Similarity	NPD6012	Approved
0.619	Remote Similarity	NPD7748	Approved
0.619	Remote Similarity	NPD5282	Discontinued
0.6186	Remote Similarity	NPD7641	Discontinued
0.6174	Remote Similarity	NPD6882	Approved
0.6168	Remote Similarity	NPD6084	Phase 2
0.6168	Remote Similarity	NPD6083	Phase 2
0.6167	Remote Similarity	NPD8513	Phase 3
0.6167	Remote Similarity	NPD8516	Approved
0.6167	Remote Similarity	NPD8517	Approved
0.6167	Remote Similarity	NPD8515	Approved
0.6161	Remote Similarity	NPD5954	Clinical (unspecified phase)
0.6139	Remote Similarity	NPD6684	Approved
0.6139	Remote Similarity	NPD7521	Approved
0.6139	Remote Similarity	NPD5330	Approved
0.6139	Remote Similarity	NPD6409	Approved
0.6139	Remote Similarity	NPD7334	Approved
0.6139	Remote Similarity	NPD7146	Approved
0.6139	Remote Similarity	NPD4249	Approved
0.6136	Remote Similarity	NPD3197	Phase 1
0.6136	Remote Similarity	NPD5325	Clinical (unspecified phase)
0.6132	Remote Similarity	NPD5695	Phase 3
0.6106	Remote Similarity	NPD6011	Approved
0.6106	Remote Similarity	NPD7320	Approved
0.6095	Remote Similarity	NPD6399	Phase 3
0.6091	Remote Similarity	NPD5211	Phase 2
0.6087	Remote Similarity	NPD7116	Clinical (unspecified phase)
0.6071	Remote Similarity	NPD6008	Approved
0.6067	Remote Similarity	NPD7341	Phase 2
0.6053	Remote Similarity	NPD6372	Approved
0.6053	Remote Similarity	NPD6373	Approved
0.604	Remote Similarity	NPD1696	Phase 3
0.602	Remote Similarity	NPD8259	Clinical (unspecified phase)
0.6019	Remote Similarity	NPD6903	Approved
0.6019	Remote Similarity	NPD7902	Approved
0.6019	Remote Similarity	NPD5737	Approved
0.6019	Remote Similarity	NPD6672	Approved
0.6019	Remote Similarity	NPD7513	Clinical (unspecified phase)
0.6018	Remote Similarity	NPD5701	Approved
0.6	Remote Similarity	NPD6079	Approved
0.6	Remote Similarity	NPD7515	Phase 2
0.6	Remote Similarity	NPD5693	Phase 1
0.5984	Remote Similarity	NPD7260	Phase 2
0.5983	Remote Similarity	NPD4632	Approved
0.5982	Remote Similarity	NPD5141	Approved
0.5977	Remote Similarity	NPD4246	Clinical (unspecified phase)
0.5968	Remote Similarity	NPD8451	Approved
0.5968	Remote Similarity	NPD8273	Phase 1
0.5965	Remote Similarity	NPD5345	Clinical (unspecified phase)
0.5963	Remote Similarity	NPD5696	Approved
0.5962	Remote Similarity	NPD5370	Suspended
0.595	Remote Similarity	NPD6319	Approved
0.5935	Remote Similarity	NPD7604	Phase 2
0.592	Remote Similarity	NPD8448	Approved
0.592	Remote Similarity	NPD8074	Phase 3
0.5909	Remote Similarity	NPD5285	Approved
0.5909	Remote Similarity	NPD4696	Approved
0.5909	Remote Similarity	NPD4194	Approved
0.5909	Remote Similarity	NPD4191	Approved
0.5909	Remote Similarity	NPD4193	Approved
0.5909	Remote Similarity	NPD4192	Approved
0.5909	Remote Similarity	NPD5286	Approved
0.5888	Remote Similarity	NPD7901	Clinical (unspecified phase)
0.5888	Remote Similarity	NPD7900	Approved
0.5887	Remote Similarity	NPD8342	Approved
0.5887	Remote Similarity	NPD8340	Approved
0.5887	Remote Similarity	NPD8341	Approved
0.5887	Remote Similarity	NPD7492	Approved
0.5887	Remote Similarity	NPD8299	Approved
0.5868	Remote Similarity	NPD7101	Approved
0.5868	Remote Similarity	NPD7100	Approved
0.5862	Remote Similarity	NPD2067	Discontinued
0.5859	Remote Similarity	NPD4695	Discontinued
0.5849	Remote Similarity	NPD4810	Clinical (unspecified phase)
0.5842	Remote Similarity	NPD6110	Phase 1
0.584	Remote Similarity	NPD6616	Approved
0.5833	Remote Similarity	NPD4266	Approved
0.5833	Remote Similarity	NPD3196	Approved
0.5833	Remote Similarity	NPD3194	Approved
0.5833	Remote Similarity	NPD6009	Approved
0.5833	Remote Similarity	NPD7500	Approved
0.5833	Remote Similarity	NPD6356	Clinical (unspecified phase)
0.5833	Remote Similarity	NPD3195	Phase 2
0.5825	Remote Similarity	NPD4519	Discontinued
0.5825	Remote Similarity	NPD4623	Approved
0.5824	Remote Similarity	NPD6108	Clinical (unspecified phase)
0.582	Remote Similarity	NPD6054	Approved
0.5812	Remote Similarity	NPD6401	Clinical (unspecified phase)
0.581	Remote Similarity	NPD6080	Approved
0.581	Remote Similarity	NPD6904	Approved
0.581	Remote Similarity	NPD5328	Approved
0.581	Remote Similarity	NPD6673	Approved
0.581	Remote Similarity	NPD6051	Approved
0.5804	Remote Similarity	NPD5225	Approved
0.5804	Remote Similarity	NPD7632	Discontinued
0.5804	Remote Similarity	NPD5224	Approved
0.5804	Remote Similarity	NPD4633	Approved
0.5804	Remote Similarity	NPD5226	Approved
0.5794	Remote Similarity	NPD7078	Approved
0.5785	Remote Similarity	NPD6335	Approved
0.5781	Remote Similarity	NPD8391	Approved
0.5781	Remote Similarity	NPD8390	Approved
0.5781	Remote Similarity	NPD8392	Approved
0.578	Remote Similarity	NPD5222	Approved
0.578	Remote Similarity	NPD5221	Approved
0.578	Remote Similarity	NPD4697	Phase 3
0.578	Remote Similarity	NPD4792	Clinical (unspecified phase)
0.578	Remote Similarity	NPD5220	Clinical (unspecified phase)
0.5772	Remote Similarity	NPD8444	Approved
0.5772	Remote Similarity	NPD5983	Phase 2
0.5769	Remote Similarity	NPD7524	Approved

Structure

CID83423 OpenBabel06191715422D 30 31 0 0 1 0 0 0 0 0999 V2000 -1.8079 -0.1661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1254 1.4815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5730 3.2676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6191 2.2999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3788 1.7906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6970 2.2215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3465 1.8367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2439 -1.7018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3627 -1.2993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9349 -0.9295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2439 1.7018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3141 1.8828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9026 0.9756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2079 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2028 1.5639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5398 0.9327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6052 -2.4451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4910 0.7493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2028 -1.5639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3627 1.2993 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8390 -0.4844 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2229 1.8481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7581 2.7438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9349 0.9295 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8390 0.4844 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.0433 -3.2342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8573 2.5803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2343 3.5588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7283 2.0315 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 18 1 0 0 0 0 2 18 1 0 0 0 0 3 23 1 0 0 0 0 4 23 1 0 0 0 0 7 12 2 0 0 0 0 7 13 1 0 0 0 0 8 9 1 0 0 0 0 8 19 1 0 0 0 0 9 21 1 0 0 0 0 10 14 1 0 0 0 0 10 19 2 0 0 0 0 11 15 2 0 0 0 0 11 20 1 0 0 0 0 12 23 1 0 0 0 0 13 24 1 0 0 0 0 14 24 1 0 0 0 0 15 24 1 0 0 0 0 16 18 2 0 0 0 0 16 22 1 0 0 0 0 17 19 1 0 0 0 0 17 26 2 0 0 0 0 20 25 1 6 0 0 0 20 29 1 0 0 0 0 21 25 1 6 0 0 0 21 30 1 0 0 0 0 22 27 2 0 0 0 0 22 29 1 0 0 0 0 23 28 1 0 0 0 0 24 5 1 6 0 0 0 25 6 1 6 0 0 0 25 30 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	11441439
ChEMBL	CHEMBL471393
ZINC

Physicochemical Properties

Molecular Weight:	416.26
ALogP:	3.0963
MLogP:	3.66
XLogP:	4.056
# Rotatable Bonds:	14
Polar Surface Area:	76.13
# H-Bond Aceptor:	5
# H-Bond Donor:	1
# Rings:	2
# Heavy Atoms:	30

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