NPASS Natural Product

Natural Product: NPC234617

Natural Product ID:	NPC234617
Common Name:	n.a.
IUPAC Name:
Synonyms:
Molecular Formula:	C30H46O3
Standard InCHIKey:	UVBLDLGZDSGCSN-RUOWOPRNSA-N
Standard InCHI:	InChI=1S/C30H46O3/c1-18-8-14-29-17-16-28(7)27(6)13-9-20-25(3,4)22(31)11-12-26(20,5)21(27)10-15-30(28,33-24(29)32)23(29)19(18)2/h10,15,18-23,31H,8-9,11-14,16-17H2,1-7H3/t18-,19+,20+,21-,22+,23-,26+,27-,28+,29+,30+/m1/s1
Canonical SMILES:	C[C@@H]1CC[C@@]23[C@@H]([C@H]1C)[C@]1(C=C[C@H]4[C@@]([C@@]1(CC2)C)(C)CC[C@@H]1[C@]4(C)CC[C@@H](C1(C)C)O)OC3=O
First Find Year:
Max Developmental Stage:
Synthetic Gene Cluster:	;

Species Source

Organism ID	Organism Name	Taxonomy Level	Family	SuperKingdom	Reference
NPO28053	Quercus serrata	Species	Fagaceae	Eukaryota	UNPD*
NPO28614	Zieria smithii	Species	Rutaceae	Eukaryota	UNPD*
NPO22175	Perovskia abrotanoides	Species	Lamiaceae	Eukaryota	UNPD*
NPO28374	Pleogyne cunninghami	Species	Menispermaceae	Eukaryota	UNPD*
NPO6430	Cercosporina kikuchii	NA	NA	NA	UNPD*
NPO11827	Zerynthia polyxena	Species	Papilionidae	Eukaryota	UNPD*
NPO28303	Pleogyne cunninghamii	Species	Menispermaceae	Eukaryota	UNPD*
NPO28509	Achillea clypeolata	Species	Asteraceae	Eukaryota	UNPD*
NPO28334	Pyrola decorata	Species	Ericaceae	Eukaryota	UNPD*
NPO28528	Bridelia ferruginea	Species	Phyllanthaceae	Eukaryota	UNPD*
NPO11144	Centella asiatica	Species	Apiaceae	Eukaryota	UNPD*
NPO29115	Rhinella arenarum	Species	Bufonidae	Eukaryota	UNPD*
NPO26587	Croton steenkampianus	Species	Euphorbiaceae	Eukaryota	UNPD*
NPO11305	Garcinia cantleyana	Species	Clusiaceae	Eukaryota	UNPD*
NPO27943	Cardamine pinnata	Species	Brassicaceae	Eukaryota	UNPD*
NPO27867	Turbo argyrostoma	Species	Turbinidae	Eukaryota	UNPD*
NPO28217	Septoria pistaciarum	Species	Mycosphaerellaceae	Eukaryota	UNPD*
NPO25704	Tetraneuris acaulis	Species	Asteraceae	Eukaryota	UNPD*
NPO23622	Pseudomonas putida	Species	Pseudomonadaceae	Bacteria	UNPD*
NPO28670	Mortierella elongata	Species	Mortierellaceae	Eukaryota	UNPD*
NPO10807	Melanothamnus somalensis	Species	Rhodomelaceae	Eukaryota	UNPD*
NPO28073	Crateva nurvala	Species	Capparaceae	Eukaryota	UNPD*
NPO6331	Jacobaea subalpina	Species	Asteraceae	Eukaryota	UNPD*
NPO7106	Talaromyces helicus	Species	Trichocomaceae	Eukaryota	UNPD*
NPO12450	Cneorum pulverulentum	Species	Rutaceae	Eukaryota	UNPD*
NPO2644	Portulaca pilosa	Species	Portulacaceae	Eukaryota	UNPD*
NPO25618	Eriobotrya japonica	Species	Rosaceae	Eukaryota	TCM_Taiwan*
NPO28200	Unonopsis glaucopetala	Species	Annonaceae	Eukaryota	UNPD*
NPO10967	Parmelia gigas	Species	Parmeliaceae	Eukaryota	UNPD*
NPO27990	Schizonepeta multifida	Species	Lamiaceae	Eukaryota	UNPD*
NPO28633	Bystropogon origanifolius	Species	Lamiaceae	Eukaryota	UNPD*
NPO28596	Streptomyces lavendofoliae	Species	Streptomycetaceae	Bacteria	UNPD*
NPO3376	Eriostemon brucei	Species	Rutaceae	Eukaryota	UNPD*
NPO28035	Streptomyces fumanus	Species	Streptomycetaceae	Bacteria	UNPD*
NPO28269	Rubus rosa	Species	Rosaceae	Eukaryota	UNPD*
NPO28161	Stephania sutchuenensis	Species	Menispermaceae	Eukaryota	UNPD*
NPO10946	Scedosporium boydii	Species	Microascaceae	Eukaryota	UNPD*
NPO28481	Cerbera dilatata	Species	Apocynaceae	Eukaryota	UNPD*
NPO28391	Euonymus nanoides	Species	Celastraceae	Eukaryota	UNPD*
NPO28656	Lactobacillus casei	Species	Lactobacillaceae	Bacteria	UNPD*
NPO28131	Polygala amara	Species	Polygalaceae	Eukaryota	UNPD*
NPO28704	Agaricus hortensis	Species	Agaricaceae	Eukaryota	UNPD*
NPO12611	Lonicera korolkowii	Species	Caprifoliaceae	Eukaryota	UNPD*
NPO28576	Berberis julianae	Species	Berberidaceae	Eukaryota	UNPD*
NPO2035	Daphne aurantiaca	Species	Thymelaeaceae	Eukaryota	UNPD*
NPO27959	Codonocarpus australis	Species	Gyrostemonaceae	Eukaryota	UNPD*
NPO20081	Mycobacterium tuberculosis	Species	Mycobacteriaceae	Bacteria	UNPD*
NPO28011	Swertia japonica	Species	Gentianaceae	Eukaryota	UNPD*
NPO18675	Pteris aquilina	Species	Pteridaceae	Eukaryota	UNPD*
NPO28691	Streptomyces odorifer	Species	Streptomycetaceae	Bacteria	UNPD*
NPO29353	Benzoin praecox	NA	NA	NA	UNPD*
NPO16669	Diospyros verrucosa	Species	Ebenaceae	Eukaryota	UNPD*
NPO20395	Athanasia crithmifolia	Species	Asteraceae	Eukaryota	UNPD*

Biological Activity

Activity Type	# Activity
Others	2

Activity Type	# Activity
Individual Protein	2

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT73	Individual Protein	Solute carrier organic anion transporter family member 1B1	Homo sapiens	Inhibition	=	114.44	%	23571415
NPT72	Individual Protein	Solute carrier organic anion transporter family member 1B3	Homo sapiens	Inhibition	=	98.51	%	23571415

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 NPC234617 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	129
0.1-0.2	693
0.2-0.3	2575
0.3-0.4	5451
0.4-0.5	10448
0.5-0.6	4268
0.6-0.7	4592
0.7-0.8	2394
0.8-0.85	245
0.85-0.9	84
0.9-0.95	8
0.95-1	2

Similarity Score	Similarity Level	Natural Product ID
1.0	High Similarity	NPC124703
0.9785	High Similarity	NPC235142
0.9286	High Similarity	NPC301666
0.9255	High Similarity	NPC10057
0.9239	High Similarity	NPC49776
0.9239	High Similarity	NPC63118
0.9239	High Similarity	NPC474436
0.914	High Similarity	NPC91010
0.9043	High Similarity	NPC290481
0.9022	High Similarity	NPC76286
0.8804	High Similarity	NPC40552
0.8804	High Similarity	NPC246708
0.8763	High Similarity	NPC164349
0.875	High Similarity	NPC327179
0.8737	High Similarity	NPC60692
0.871	High Similarity	NPC470588
0.8696	High Similarity	NPC98442
0.8696	High Similarity	NPC242468
0.8696	High Similarity	NPC102683
0.8696	High Similarity	NPC88716
0.8696	High Similarity	NPC51700
0.8696	High Similarity	NPC171203
0.8696	High Similarity	NPC130577
0.8696	High Similarity	NPC142415
0.8696	High Similarity	NPC293564
0.8696	High Similarity	NPC307426
0.8696	High Similarity	NPC18064
0.8696	High Similarity	NPC68160
0.8646	High Similarity	NPC83693
0.8632	High Similarity	NPC86368
0.8632	High Similarity	NPC169343
0.8632	High Similarity	NPC118519
0.8632	High Similarity	NPC158059
0.8632	High Similarity	NPC202728
0.8617	High Similarity	NPC477872
0.8617	High Similarity	NPC120968
0.8617	High Similarity	NPC474728
0.8617	High Similarity	NPC113989
0.8617	High Similarity	NPC227467
0.8617	High Similarity	NPC18872
0.8617	High Similarity	NPC273621
0.8617	High Similarity	NPC291028
0.8617	High Similarity	NPC198818
0.8617	High Similarity	NPC210037
0.8617	High Similarity	NPC290614
0.8617	High Similarity	NPC120840
0.8617	High Similarity	NPC7260
0.8602	High Similarity	NPC473242
0.8602	High Similarity	NPC470629
0.8602	High Similarity	NPC182797
0.8602	High Similarity	NPC17733
0.8602	High Similarity	NPC290690
0.8602	High Similarity	NPC181225
0.8602	High Similarity	NPC474845
0.8602	High Similarity	NPC474512
0.8602	High Similarity	NPC52169
0.86	High Similarity	NPC36688
0.8587	High Similarity	NPC72638
0.8557	High Similarity	NPC472363
0.8557	High Similarity	NPC154526
0.8557	High Similarity	NPC116457
0.8557	High Similarity	NPC472362
0.8542	High Similarity	NPC6818
0.8542	High Similarity	NPC191412
0.8542	High Similarity	NPC114159
0.8529	High Similarity	NPC110496
0.8526	High Similarity	NPC470590
0.8526	High Similarity	NPC77099
0.8526	High Similarity	NPC49420
0.8526	High Similarity	NPC60755
0.8526	High Similarity	NPC285184
0.8526	High Similarity	NPC187722
0.8526	High Similarity	NPC105189
0.8511	High Similarity	NPC121798
0.8511	High Similarity	NPC263393
0.8511	High Similarity	NPC143232
0.8511	High Similarity	NPC474972
0.8511	High Similarity	NPC30522
0.8511	High Similarity	NPC130520
0.8511	High Similarity	NPC274330
0.8511	High Similarity	NPC290972
0.8511	High Similarity	NPC293048
0.8511	High Similarity	NPC161751
0.8511	High Similarity	NPC64872
0.8511	High Similarity	NPC234346
0.8511	High Similarity	NPC127689
0.8511	High Similarity	NPC25906
0.8511	High Similarity	NPC198664
0.8511	High Similarity	NPC95246
0.8511	High Similarity	NPC270768
0.8511	High Similarity	NPC61543
0.8511	High Similarity	NPC225585
0.8511	High Similarity	NPC59263
0.85	High Similarity	NPC476890
0.8469	Intermediate Similarity	NPC203343
0.8469	Intermediate Similarity	NPC224356
0.8469	Intermediate Similarity	NPC151681
0.8469	Intermediate Similarity	NPC312075
0.8469	Intermediate Similarity	NPC255589
0.8469	Intermediate Similarity	NPC259788
0.8469	Intermediate Similarity	NPC121402
0.8469	Intermediate Similarity	NPC132753
0.8469	Intermediate Similarity	NPC175351
0.8454	Intermediate Similarity	NPC474727
0.8447	Intermediate Similarity	NPC275539
0.8447	Intermediate Similarity	NPC189075
0.8438	Intermediate Similarity	NPC229281
0.8438	Intermediate Similarity	NPC118490
0.8438	Intermediate Similarity	NPC295643
0.8438	Intermediate Similarity	NPC272075
0.8438	Intermediate Similarity	NPC307335
0.8438	Intermediate Similarity	NPC275809
0.8438	Intermediate Similarity	NPC74855
0.8438	Intermediate Similarity	NPC214756
0.8438	Intermediate Similarity	NPC470224
0.8438	Intermediate Similarity	NPC136313
0.8421	Intermediate Similarity	NPC86372
0.8421	Intermediate Similarity	NPC111110
0.8421	Intermediate Similarity	NPC126369
0.8421	Intermediate Similarity	NPC172361
0.8421	Intermediate Similarity	NPC92885
0.8421	Intermediate Similarity	NPC193750
0.8421	Intermediate Similarity	NPC130278
0.8421	Intermediate Similarity	NPC470589
0.8421	Intermediate Similarity	NPC77796
0.8421	Intermediate Similarity	NPC476226
0.8416	Intermediate Similarity	NPC476889
0.84	Intermediate Similarity	NPC476888
0.84	Intermediate Similarity	NPC54909
0.84	Intermediate Similarity	NPC93744
0.84	Intermediate Similarity	NPC233012
0.8387	Intermediate Similarity	NPC329943
0.8387	Intermediate Similarity	NPC73038
0.8387	Intermediate Similarity	NPC74363
0.8387	Intermediate Similarity	NPC10005
0.8387	Intermediate Similarity	NPC9892
0.8387	Intermediate Similarity	NPC91525
0.8387	Intermediate Similarity	NPC475862
0.8387	Intermediate Similarity	NPC325594
0.8384	Intermediate Similarity	NPC174663
0.8384	Intermediate Similarity	NPC471966
0.8367	Intermediate Similarity	NPC230151
0.8367	Intermediate Similarity	NPC158371
0.8367	Intermediate Similarity	NPC259733
0.8367	Intermediate Similarity	NPC157113
0.8367	Intermediate Similarity	NPC207922
0.8367	Intermediate Similarity	NPC62516
0.8367	Intermediate Similarity	NPC132824
0.8351	Intermediate Similarity	NPC471720
0.8351	Intermediate Similarity	NPC188102
0.8351	Intermediate Similarity	NPC74751
0.8351	Intermediate Similarity	NPC296164
0.8351	Intermediate Similarity	NPC184006
0.8351	Intermediate Similarity	NPC78580
0.8351	Intermediate Similarity	NPC23621
0.835	Intermediate Similarity	NPC255387
0.835	Intermediate Similarity	NPC131665
0.8333	Intermediate Similarity	NPC288833
0.8333	Intermediate Similarity	NPC25299
0.8333	Intermediate Similarity	NPC158030
0.8333	Intermediate Similarity	NPC71074
0.8333	Intermediate Similarity	NPC228784
0.8333	Intermediate Similarity	NPC300351
0.8333	Intermediate Similarity	NPC301244
0.8333	Intermediate Similarity	NPC84319
0.8333	Intermediate Similarity	NPC145067
0.8333	Intermediate Similarity	NPC472149
0.8333	Intermediate Similarity	NPC65120
0.8333	Intermediate Similarity	NPC324341
0.8333	Intermediate Similarity	NPC235884
0.8333	Intermediate Similarity	NPC38754
0.8333	Intermediate Similarity	NPC155120
0.8333	Intermediate Similarity	NPC282616
0.8333	Intermediate Similarity	NPC474525
0.8333	Intermediate Similarity	NPC966
0.8333	Intermediate Similarity	NPC306541
0.8333	Intermediate Similarity	NPC186363
0.8333	Intermediate Similarity	NPC233345
0.8333	Intermediate Similarity	NPC52021
0.8333	Intermediate Similarity	NPC4036
0.8333	Intermediate Similarity	NPC233455
0.8317	Intermediate Similarity	NPC40918
0.8316	Intermediate Similarity	NPC281524
0.8316	Intermediate Similarity	NPC474686
0.83	Intermediate Similarity	NPC201406
0.8298	Intermediate Similarity	NPC73064
0.8298	Intermediate Similarity	NPC162107
0.8298	Intermediate Similarity	NPC71507
0.8298	Intermediate Similarity	NPC46912
0.8283	Intermediate Similarity	NPC247139
0.8283	Intermediate Similarity	NPC476878
0.8283	Intermediate Similarity	NPC187933
0.8283	Intermediate Similarity	NPC9613
0.8283	Intermediate Similarity	NPC476879
0.828	Intermediate Similarity	NPC477578
0.828	Intermediate Similarity	NPC191965
0.828	Intermediate Similarity	NPC52628
0.828	Intermediate Similarity	NPC133954
0.8265	Intermediate Similarity	NPC23241
0.8265	Intermediate Similarity	NPC198245

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC234617 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	141
0.1-0.2	1067
0.2-0.3	3422
0.3-0.4	2795
0.4-0.5	1131
0.5-0.6	287
0.6-0.7	244
0.7-0.8	70
0.8-0.85	4
0.85-0.9	0
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.8351	Intermediate Similarity	NPD7748	Approved
0.8333	Intermediate Similarity	NPD7515	Phase 2
0.8283	Intermediate Similarity	NPD7902	Approved
0.802	Intermediate Similarity	NPD7638	Approved
0.798	Intermediate Similarity	NPD7900	Approved
0.798	Intermediate Similarity	NPD7901	Clinical (unspecified phase)
0.7941	Intermediate Similarity	NPD7639	Approved
0.7941	Intermediate Similarity	NPD7640	Approved
0.7895	Intermediate Similarity	NPD7520	Clinical (unspecified phase)
0.7838	Intermediate Similarity	NPD7115	Discovery
0.7778	Intermediate Similarity	NPD8035	Phase 2
0.7778	Intermediate Similarity	NPD8034	Phase 2
0.7708	Intermediate Similarity	NPD1694	Approved
0.77	Intermediate Similarity	NPD6399	Phase 3
0.7634	Intermediate Similarity	NPD7645	Phase 2
0.7629	Intermediate Similarity	NPD3618	Phase 1
0.75	Intermediate Similarity	NPD4225	Approved
0.7475	Intermediate Similarity	NPD7513	Clinical (unspecified phase)
0.7431	Intermediate Similarity	NPD6881	Approved
0.7431	Intermediate Similarity	NPD6899	Approved
0.7426	Intermediate Similarity	NPD6079	Approved
0.7423	Intermediate Similarity	NPD4786	Approved
0.7407	Intermediate Similarity	NPD7128	Approved
0.7407	Intermediate Similarity	NPD6402	Approved
0.7407	Intermediate Similarity	NPD5739	Approved
0.7407	Intermediate Similarity	NPD6675	Approved
0.74	Intermediate Similarity	NPD5328	Approved
0.7396	Intermediate Similarity	NPD3667	Approved
0.7387	Intermediate Similarity	NPD6650	Approved
0.7387	Intermediate Similarity	NPD6649	Approved
0.7374	Intermediate Similarity	NPD3573	Approved
0.7364	Intermediate Similarity	NPD6372	Approved
0.7364	Intermediate Similarity	NPD6373	Approved
0.7339	Intermediate Similarity	NPD5697	Approved
0.7297	Intermediate Similarity	NPD7290	Approved
0.7297	Intermediate Similarity	NPD7102	Approved
0.7297	Intermediate Similarity	NPD6883	Approved
0.729	Intermediate Similarity	NPD7632	Discontinued
0.7273	Intermediate Similarity	NPD7146	Approved
0.7273	Intermediate Similarity	NPD6011	Approved
0.7273	Intermediate Similarity	NPD7334	Approved
0.7273	Intermediate Similarity	NPD7521	Approved
0.7273	Intermediate Similarity	NPD6409	Approved
0.7273	Intermediate Similarity	NPD7320	Approved
0.7273	Intermediate Similarity	NPD6684	Approved
0.7273	Intermediate Similarity	NPD5330	Approved
0.7238	Intermediate Similarity	NPD6083	Phase 2
0.7238	Intermediate Similarity	NPD6084	Phase 2
0.7232	Intermediate Similarity	NPD6617	Approved
0.7232	Intermediate Similarity	NPD6869	Approved
0.7232	Intermediate Similarity	NPD6847	Approved
0.7232	Intermediate Similarity	NPD8130	Phase 1
0.7216	Intermediate Similarity	NPD4752	Clinical (unspecified phase)
0.7212	Intermediate Similarity	NPD6356	Clinical (unspecified phase)
0.7207	Intermediate Similarity	NPD6013	Approved
0.7207	Intermediate Similarity	NPD6012	Approved
0.7207	Intermediate Similarity	NPD4061	Clinical (unspecified phase)
0.7207	Intermediate Similarity	NPD6014	Approved
0.7184	Intermediate Similarity	NPD4202	Approved
0.7182	Intermediate Similarity	NPD5701	Approved
0.7168	Intermediate Similarity	NPD8297	Approved
0.7168	Intermediate Similarity	NPD6882	Approved
0.7143	Intermediate Similarity	NPD5955	Clinical (unspecified phase)
0.7129	Intermediate Similarity	NPD6903	Approved
0.7117	Intermediate Similarity	NPD5345	Clinical (unspecified phase)
0.7087	Intermediate Similarity	NPD6411	Approved
0.708	Intermediate Similarity	NPD6401	Clinical (unspecified phase)
0.7071	Intermediate Similarity	NPD3665	Phase 1
0.7071	Intermediate Similarity	NPD3666	Approved
0.7071	Intermediate Similarity	NPD3133	Approved
0.7059	Intermediate Similarity	NPD6051	Approved
0.7025	Intermediate Similarity	NPD7507	Approved
0.701	Intermediate Similarity	NPD7525	Registered
0.7009	Intermediate Similarity	NPD5696	Approved
0.6981	Remote Similarity	NPD5220	Clinical (unspecified phase)
0.6981	Remote Similarity	NPD4697	Phase 3
0.6981	Remote Similarity	NPD5221	Approved
0.6981	Remote Similarity	NPD5222	Approved
0.6972	Remote Similarity	NPD5211	Phase 2
0.6964	Remote Similarity	NPD6686	Approved
0.6961	Remote Similarity	NPD6672	Approved
0.6961	Remote Similarity	NPD5737	Approved
0.6957	Remote Similarity	NPD8133	Approved
0.6952	Remote Similarity	NPD6001	Approved
0.6947	Remote Similarity	NPD6117	Approved
0.6944	Remote Similarity	NPD4696	Approved
0.6944	Remote Similarity	NPD5285	Approved
0.6944	Remote Similarity	NPD5286	Approved
0.6937	Remote Similarity	NPD6008	Approved
0.6931	Remote Similarity	NPD6098	Approved
0.6931	Remote Similarity	NPD4623	Approved
0.6931	Remote Similarity	NPD4519	Discontinued
0.6923	Remote Similarity	NPD5693	Phase 1
0.6916	Remote Similarity	NPD4755	Approved
0.6916	Remote Similarity	NPD5173	Approved
0.6915	Remote Similarity	NPD6113	Clinical (unspecified phase)
0.6903	Remote Similarity	NPD8132	Clinical (unspecified phase)
0.6893	Remote Similarity	NPD7285	Clinical (unspecified phase)
0.6893	Remote Similarity	NPD5764	Clinical (unspecified phase)
0.6893	Remote Similarity	NPD6101	Approved
0.6887	Remote Similarity	NPD5695	Phase 3
0.6881	Remote Similarity	NPD5223	Approved
0.6875	Remote Similarity	NPD5954	Clinical (unspecified phase)
0.6875	Remote Similarity	NPD6116	Phase 1
0.6864	Remote Similarity	NPD6335	Approved
0.686	Remote Similarity	NPD8328	Phase 3
0.6857	Remote Similarity	NPD5778	Approved
0.6857	Remote Similarity	NPD5779	Approved
0.6855	Remote Similarity	NPD7319	Approved
0.6847	Remote Similarity	NPD5141	Approved
0.6842	Remote Similarity	NPD8039	Approved
0.6838	Remote Similarity	NPD6868	Approved
0.6833	Remote Similarity	NPD8516	Approved
0.6833	Remote Similarity	NPD8515	Approved
0.6833	Remote Similarity	NPD6291	Clinical (unspecified phase)
0.6833	Remote Similarity	NPD8517	Approved
0.6833	Remote Similarity	NPD8513	Phase 3
0.6827	Remote Similarity	NPD5207	Approved
0.6827	Remote Similarity	NPD5785	Approved
0.6818	Remote Similarity	NPD5224	Approved
0.6818	Remote Similarity	NPD5225	Approved
0.6818	Remote Similarity	NPD5226	Approved
0.6818	Remote Similarity	NPD4633	Approved
0.681	Remote Similarity	NPD4632	Approved
0.6807	Remote Similarity	NPD7101	Approved
0.6807	Remote Similarity	NPD7100	Approved
0.6804	Remote Similarity	NPD6114	Approved
0.6804	Remote Similarity	NPD6697	Approved
0.6804	Remote Similarity	NPD6118	Approved
0.6804	Remote Similarity	NPD6115	Approved
0.6804	Remote Similarity	NPD5784	Clinical (unspecified phase)
0.6789	Remote Similarity	NPD4700	Approved
0.678	Remote Similarity	NPD6317	Approved
0.678	Remote Similarity	NPD8295	Clinical (unspecified phase)
0.6774	Remote Similarity	NPD7736	Approved
0.6765	Remote Similarity	NPD3574	Clinical (unspecified phase)
0.6762	Remote Similarity	NPD5284	Approved
0.6762	Remote Similarity	NPD5281	Approved
0.6757	Remote Similarity	NPD5174	Approved
0.6757	Remote Similarity	NPD5175	Approved
0.675	Remote Similarity	NPD8294	Approved
0.675	Remote Similarity	NPD8377	Approved
0.6733	Remote Similarity	NPD3668	Phase 3
0.6731	Remote Similarity	NPD4753	Phase 2
0.6731	Remote Similarity	NPD6904	Approved
0.6731	Remote Similarity	NPD6673	Approved
0.6731	Remote Similarity	NPD6080	Approved
0.6729	Remote Similarity	NPD4629	Approved
0.6729	Remote Similarity	NPD5210	Approved
0.6723	Remote Similarity	NPD7328	Approved
0.6723	Remote Similarity	NPD6313	Approved
0.6723	Remote Similarity	NPD6314	Approved
0.6723	Remote Similarity	NPD7327	Approved
0.67	Remote Similarity	NPD4221	Approved
0.67	Remote Similarity	NPD4223	Phase 3
0.6695	Remote Similarity	NPD6274	Approved
0.6694	Remote Similarity	NPD8335	Approved
0.6694	Remote Similarity	NPD7503	Approved
0.6694	Remote Similarity	NPD8033	Approved
0.6694	Remote Similarity	NPD8380	Approved
0.6694	Remote Similarity	NPD8296	Approved
0.6694	Remote Similarity	NPD8379	Approved
0.6694	Remote Similarity	NPD8378	Approved
0.6667	Remote Similarity	NPD5349	Clinical (unspecified phase)
0.6667	Remote Similarity	NPD7516	Approved
0.6667	Remote Similarity	NPD7492	Approved
0.6667	Remote Similarity	NPD6942	Approved
0.6667	Remote Similarity	NPD7339	Approved
0.6667	Remote Similarity	NPD5329	Approved
0.6639	Remote Similarity	NPD6009	Approved
0.6638	Remote Similarity	NPD8413	Clinical (unspecified phase)
0.6635	Remote Similarity	NPD5208	Approved
0.6634	Remote Similarity	NPD4788	Approved
0.6613	Remote Similarity	NPD6616	Approved
0.6612	Remote Similarity	NPD6054	Approved
0.6612	Remote Similarity	NPD6319	Approved
0.6607	Remote Similarity	NPD4754	Approved
0.6604	Remote Similarity	NPD7637	Suspended
0.6602	Remote Similarity	NPD5279	Phase 3
0.66	Remote Similarity	NPD5369	Approved
0.6598	Remote Similarity	NPD3701	Clinical (unspecified phase)
0.6585	Remote Similarity	NPD7604	Phase 2
0.6581	Remote Similarity	NPD6053	Discontinued
0.6579	Remote Similarity	NPD6412	Phase 2
0.6574	Remote Similarity	NPD1698	Clinical (unspecified phase)
0.6569	Remote Similarity	NPD4197	Approved
0.656	Remote Similarity	NPD7078	Approved
0.6557	Remote Similarity	NPD6909	Approved
0.6557	Remote Similarity	NPD5983	Phase 2
0.6557	Remote Similarity	NPD6908	Approved
0.6535	Remote Similarity	NPD4269	Approved
0.6535	Remote Similarity	NPD4270	Approved
0.6526	Remote Similarity	NPD4809	Clinical (unspecified phase)
0.6526	Remote Similarity	NPD4808	Clinical (unspecified phase)
0.6522	Remote Similarity	NPD4730	Approved
0.6522	Remote Similarity	NPD4729	Approved
0.6514	Remote Similarity	NPD7614	Phase 1
0.6504	Remote Similarity	NPD6370	Approved
0.6491	Remote Similarity	NPD4768	Approved
0.6491	Remote Similarity	NPD4767	Approved

Structure

CID234617 OpenBabel06191716032D 33 38 0 0 1 0 0 0 0 0999 V2000 -0.0649 2.7440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7148 1.7077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3012 3.9398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1698 3.9398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9736 0.9994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6977 2.3022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6880 3.1041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0071 1.9690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2118 3.1876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2118 0.5484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4974 1.8680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7355 1.4281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4499 2.7477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3592 1.5347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4499 0.1085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0004 1.9768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8573 1.7811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4480 1.9645 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.1029 1.5246 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.9736 2.7477 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2118 1.4281 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4974 2.7477 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2009 1.0958 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8577 0.1959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7355 3.1876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9736 1.8680 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4499 1.8680 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6880 1.4281 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.2392 0.9886 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6880 0.5484 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2496 3.1820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3803 -0.4591 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 3 25 1 0 0 0 0 4 25 1 0 0 0 0 6 27 1 0 0 0 0 7 28 1 0 0 0 0 8 14 1 0 0 0 0 8 18 1 0 0 0 0 9 13 1 0 0 0 0 9 20 1 0 0 0 0 10 15 2 0 0 0 0 10 21 1 0 0 0 0 11 12 1 0 0 0 0 11 22 1 0 0 0 0 12 26 1 0 0 0 0 13 27 1 0 0 0 0 16 17 1 0 0 0 0 16 28 1 0 0 0 0 17 29 1 0 0 0 0 18 1 1 1 0 0 0 18 19 1 0 0 0 0 19 2 1 6 0 0 0 19 23 1 0 0 0 0 20 25 1 0 0 0 0 20 26 1 1 0 0 0 21 26 1 1 0 0 0 21 27 1 0 0 0 0 22 25 1 0 0 0 0 22 31 1 1 0 0 0 23 29 1 1 0 0 0 23 30 1 0 0 0 0 24 29 1 0 0 0 0 24 32 2 0 0 0 0 24 33 1 0 0 0 0 26 5 1 1 0 0 0 27 28 1 6 0 0 0 28 30 1 6 0 0 0 29 14 1 6 0 0 0 30 15 1 6 0 0 0 30 33 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	21606663
ChEMBL	CHEMBL3138627
ZINC

Physicochemical Properties

Molecular Weight:	454.34
ALogP:	1.4808
MLogP:	4.43
XLogP:	7.884
# Rotatable Bonds:	8
Polar Surface Area:	46.53
# H-Bond Aceptor:	3
# H-Bond Donor:	1
# Rings:	6
# Heavy Atoms:	33

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