NPASS Natural Product

Natural Product: NPC83702

Natural Product ID:	NPC83702
Common Name:	Ustusol C
IUPAC Name:	(1S,4R,4aS,8aS)-1,2-bis(hydroxymethyl)-4-methoxy-5,5,8a-trimethyl-4a,6,7,8-tetrahydro-4H-naphthalen-1-ol
Synonyms:	Ustusol C
Molecular Formula:	C16H28O4
Standard InCHIKey:	ZPHNAEGQIWXWGS-BFJAYTPKSA-N
Standard InCHI:	InChI=1S/C16H28O4/c1-14(2)6-5-7-15(3)13(14)12(20-4)8-11(9-17)16(15,19)10-18/h8,12-13,17-19H,5-7,9-10H2,1-4H3/t12-,13+,15+,16-/m1/s1
Canonical SMILES:	CO[C@@H]1C=C(CO)[C@]([C@@]2([C@@H]1C(C)(C)CCC2)C)(O)CO
First Find Year:
Max Developmental Stage:
Synthetic Gene Cluster:	;

Species Source

Organism ID	Organism Name	Taxonomy Level	Family	SuperKingdom	Reference
NPO14813	Agaricus silvaticus	Species	Agaricaceae	Eukaryota	UNPD*
NPO16566	Cinnamosma madagascariensis	Species	Canellaceae	Eukaryota	UNPD*
NPO16329	Potebniamyces gallicola	Species	Phacidiaceae	Eukaryota	UNPD*
NPO16052	Chromodoris obsoleta	Species	Chromodorididae	Eukaryota	UNPD*
NPO17999	Sonneratia alba	Species	Lythraceae	Eukaryota	UNPD*
NPO16812	Ajuga bracteosa	Species	Lamiaceae	Eukaryota	UNPD*
NPO16923	Cereus chrysacanthus	Species	Sagartiidae	Eukaryota	UNPD*
NPO17602	Arbutus menziesii	Species	Ericaceae	Eukaryota	UNPD*
NPO17921	Allium monspessulanum	Species	Amaryllidaceae	Eukaryota	UNPD*
NPO10770	Ptilota pectinata	Species	Ceramiaceae	Eukaryota	UNPD*
NPO21437	Rhododendron aureum	Species	Ericaceae	Eukaryota	UNPD*
NPO17339	Macaranga sinensis	Species	Euphorbiaceae	Eukaryota	UNPD*
NPO15748	Hypoxis nyasica	Species	Hypoxidaceae	Eukaryota	UNPD*
NPO4507	Bruguiera gymnorhiza	Species	Rhizophoraceae	Eukaryota	UNPD*
NPO13789	Paranephelius uniflorus	Species	Asteraceae	Eukaryota	UNPD*
NPO7905	Lepista irina	Species	Tricholomataceae	Eukaryota	UNPD*
NPO17145	Aegiceras corniculatum	Species	Primulaceae	Eukaryota	UNPD*
NPO84	Isoberlinia angolensis	Species	Fabaceae	Eukaryota	UNPD*
NPO17844	Agaricus integer	Species	Agaricaceae	Eukaryota	UNPD*
NPO22097	Plakinastrella clathrata	Species	Plakinidae	Eukaryota	UNPD*
NPO2550	Trichoderma citrinum	Species	Hypocreaceae	Eukaryota	UNPD*
NPO5119	Pseudomonas chlororaphis	Species	Pseudomonadaceae	Bacteria	UNPD*
NPO15919	Streptomyces caelestis	Species	Streptomycetaceae	Bacteria	UNPD*
NPO11408	Podocarpus amarus	Species	Podocarpaceae	Eukaryota	UNPD*
NPO16695	Fumaria kraliki	Species	Papaveraceae	Eukaryota	UNPD*
NPO28319	Ulva prolifera	Species	Ulvaceae	Eukaryota	UNPD*
NPO16215	Umbilicaria cinereorufescens	Species	Umbilicariaceae	Eukaryota	UNPD*
NPO18073	Justicia trinervia	Species	Acanthaceae	Eukaryota	UNPD*
NPO14002	Petalostemon purpureum	Species	Fabaceae	Eukaryota	UNPD*
NPO13013	Saccharothrix mutabilis	Species	Pseudonocardiaceae	Bacteria	UNPD*
NPO15599	Daldinia concentrica	Species	Xylariaceae	Eukaryota	UNPD*
NPO9951	Hyella caespitosa	Species	Hyellaceae	Bacteria	UNPD*
NPO28821	Stichopus horrens	Species	Stichopodidae	Eukaryota	UNPD*
NPO17375	Ceramium botryocarpum	Species	Ceramiaceae	Eukaryota	UNPD*
NPO14575	Periploca forrestii	Species	Cosmopterigidae	Eukaryota	UNPD*
NPO25550	Buchenavia tetraphylla	Species	Combretaceae	Eukaryota	UNPD*
NPO2155	Tephroseris integrifolia	Species	Asteraceae	Eukaryota	UNPD*
NPO8010	Otostegia fruticosa	Species	Lamiaceae	Eukaryota	UNPD*
NPO16456	Mirabilis jalapa	Species	Nyctaginaceae	Eukaryota	UNPD*
NPO27058	Aspergillus ustus	Species	Aspergillaceae	Eukaryota	PMID[19769341]
NPO28868	Pardachirus pavoninus	Species	Soleidae	Eukaryota	UNPD*
NPO4336	Echiochilon pauciflorum	Species	Boraginaceae	Eukaryota	UNPD*
NPO26788	Sophora viciifolia	Species	Fabaceae	Eukaryota	UNPD*
NPO16455	Xylopia aethiopica	Species	Annonaceae	Eukaryota	UNPD*
NPO15545	Veltheimia viridifolia	Species	Hyacinthaceae	Eukaryota	UNPD*
NPO17218	Helichrysum nudifolium	Species	Asteraceae	Eukaryota	UNPD*
NPO17304	Sipunculus nudus	Species	Sipunculidae	Eukaryota	UNPD*
NPO11760	Teucrium orientale	Species	Lamiaceae	Eukaryota	UNPD*
NPO15004	Artemisia taurica	Species	Asteraceae	Eukaryota	UNPD*
NPO17071	Coeloseira pacifica	Species	Champiaceae	Eukaryota	UNPD*
NPO9189	Streptomyces atratus	Species	Streptomycetaceae	Bacteria	UNPD*

Biological Activity

Activity Type	# Activity
IC50	2

Activity Type	# Activity
Cell Line	2

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT81	Cell Line	A549	Homo sapiens	IC50	>	100000	nM	19769341
NPT116	Cell Line	HL-60	Homo sapiens	IC50	>	100000	nM	19769341

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 NPC83702 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	122
0.1-0.2	908
0.2-0.3	2799
0.3-0.4	5154
0.4-0.5	10881
0.5-0.6	5216
0.6-0.7	4499
0.7-0.8	1225
0.8-0.85	82
0.85-0.9	3
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Natural Product ID
0.881	High Similarity	NPC255143
0.8556	High Similarity	NPC288970
0.8506	High Similarity	NPC115607
0.8427	Intermediate Similarity	NPC119379
0.8409	Intermediate Similarity	NPC295668
0.8409	Intermediate Similarity	NPC470817
0.8352	Intermediate Similarity	NPC72204
0.8333	Intermediate Similarity	NPC65402
0.8333	Intermediate Similarity	NPC471408
0.8333	Intermediate Similarity	NPC127718
0.8315	Intermediate Similarity	NPC41554
0.8315	Intermediate Similarity	NPC97404
0.8315	Intermediate Similarity	NPC302584
0.8295	Intermediate Similarity	NPC470819
0.8295	Intermediate Similarity	NPC246028
0.8295	Intermediate Similarity	NPC49783
0.8295	Intermediate Similarity	NPC97103
0.8295	Intermediate Similarity	NPC470361
0.8276	Intermediate Similarity	NPC149224
0.8276	Intermediate Similarity	NPC476948
0.8261	Intermediate Similarity	NPC473244
0.8256	Intermediate Similarity	NPC266511
0.8256	Intermediate Similarity	NPC290731
0.8256	Intermediate Similarity	NPC119001
0.8242	Intermediate Similarity	NPC8774
0.8222	Intermediate Similarity	NPC67398
0.8222	Intermediate Similarity	NPC474792
0.8222	Intermediate Similarity	NPC91654
0.8214	Intermediate Similarity	NPC471270
0.8214	Intermediate Similarity	NPC476646
0.8202	Intermediate Similarity	NPC329596
0.8202	Intermediate Similarity	NPC220216
0.8202	Intermediate Similarity	NPC291484
0.8202	Intermediate Similarity	NPC11216
0.8202	Intermediate Similarity	NPC191323
0.8202	Intermediate Similarity	NPC80561
0.8202	Intermediate Similarity	NPC204188
0.8202	Intermediate Similarity	NPC3345
0.8193	Intermediate Similarity	NPC233295
0.8182	Intermediate Similarity	NPC474668
0.8171	Intermediate Similarity	NPC130136
0.8161	Intermediate Similarity	NPC476217
0.8161	Intermediate Similarity	NPC6391
0.8152	Intermediate Similarity	NPC284194
0.8152	Intermediate Similarity	NPC221801
0.8152	Intermediate Similarity	NPC211810
0.8152	Intermediate Similarity	NPC471765
0.8152	Intermediate Similarity	NPC227583
0.8152	Intermediate Similarity	NPC98457
0.8152	Intermediate Similarity	NPC12103
0.8148	Intermediate Similarity	NPC32832
0.814	Intermediate Similarity	NPC185568
0.8132	Intermediate Similarity	NPC472416
0.8132	Intermediate Similarity	NPC469491
0.8132	Intermediate Similarity	NPC472360
0.8125	Intermediate Similarity	NPC265485
0.8125	Intermediate Similarity	NPC220939
0.8118	Intermediate Similarity	NPC155521
0.8111	Intermediate Similarity	NPC124374
0.8101	Intermediate Similarity	NPC34834
0.8095	Intermediate Similarity	NPC474592
0.8095	Intermediate Similarity	NPC236707
0.8095	Intermediate Similarity	NPC471266
0.8095	Intermediate Similarity	NPC96362
0.8095	Intermediate Similarity	NPC95124
0.809	Intermediate Similarity	NPC187785
0.809	Intermediate Similarity	NPC259875
0.809	Intermediate Similarity	NPC261320
0.8085	Intermediate Similarity	NPC38855
0.8072	Intermediate Similarity	NPC167891
0.8072	Intermediate Similarity	NPC83351
0.8068	Intermediate Similarity	NPC189777
0.8065	Intermediate Similarity	NPC261807
0.8049	Intermediate Similarity	NPC265588
0.8046	Intermediate Similarity	NPC274448
0.8023	Intermediate Similarity	NPC23748
0.8023	Intermediate Similarity	NPC474634
0.8023	Intermediate Similarity	NPC185605
0.8022	Intermediate Similarity	NPC310013
0.8022	Intermediate Similarity	NPC99653
0.8	Intermediate Similarity	NPC475617
0.8	Intermediate Similarity	NPC197107
0.8	Intermediate Similarity	NPC23954
0.8	Intermediate Similarity	NPC472554
0.8	Intermediate Similarity	NPC249423
0.7978	Intermediate Similarity	NPC133588
0.7975	Intermediate Similarity	NPC473893
0.7957	Intermediate Similarity	NPC129569
0.7957	Intermediate Similarity	NPC103165
0.7957	Intermediate Similarity	NPC210717
0.7957	Intermediate Similarity	NPC90583
0.7957	Intermediate Similarity	NPC57664
0.7955	Intermediate Similarity	NPC281316
0.7955	Intermediate Similarity	NPC293287
0.7955	Intermediate Similarity	NPC152808
0.7955	Intermediate Similarity	NPC261266
0.7955	Intermediate Similarity	NPC237344
0.7952	Intermediate Similarity	NPC477924
0.7952	Intermediate Similarity	NPC91594
0.7938	Intermediate Similarity	NPC258532
0.7938	Intermediate Similarity	NPC473543
0.7935	Intermediate Similarity	NPC144202
0.7931	Intermediate Similarity	NPC46320
0.7931	Intermediate Similarity	NPC205845
0.7927	Intermediate Similarity	NPC133580
0.7917	Intermediate Similarity	NPC472552
0.7912	Intermediate Similarity	NPC210268
0.7907	Intermediate Similarity	NPC259858
0.7907	Intermediate Similarity	NPC101462
0.7901	Intermediate Similarity	NPC259049
0.7895	Intermediate Similarity	NPC64348
0.7889	Intermediate Similarity	NPC128066
0.7889	Intermediate Similarity	NPC20946
0.7882	Intermediate Similarity	NPC287749
0.7875	Intermediate Similarity	NPC189745
0.7875	Intermediate Similarity	NPC92801
0.7872	Intermediate Similarity	NPC91197
0.7872	Intermediate Similarity	NPC239547
0.7872	Intermediate Similarity	NPC26307
0.7872	Intermediate Similarity	NPC476893
0.7872	Intermediate Similarity	NPC309503
0.7872	Intermediate Similarity	NPC155319
0.7872	Intermediate Similarity	NPC125551
0.7872	Intermediate Similarity	NPC96597
0.7865	Intermediate Similarity	NPC470620
0.7865	Intermediate Similarity	NPC233744
0.7865	Intermediate Similarity	NPC471779
0.7857	Intermediate Similarity	NPC477089
0.7849	Intermediate Similarity	NPC477969
0.7849	Intermediate Similarity	NPC276110
0.7849	Intermediate Similarity	NPC135224
0.7841	Intermediate Similarity	NPC157257
0.7841	Intermediate Similarity	NPC35933
0.7835	Intermediate Similarity	NPC474124
0.7835	Intermediate Similarity	NPC473523
0.7831	Intermediate Similarity	NPC477925
0.7831	Intermediate Similarity	NPC274079
0.7831	Intermediate Similarity	NPC253190
0.7826	Intermediate Similarity	NPC137461
0.7826	Intermediate Similarity	NPC27531
0.7821	Intermediate Similarity	NPC202017
0.7816	Intermediate Similarity	NPC320548
0.7816	Intermediate Similarity	NPC49208
0.7812	Intermediate Similarity	NPC280991
0.7812	Intermediate Similarity	NPC11974
0.7805	Intermediate Similarity	NPC201048
0.7805	Intermediate Similarity	NPC476366
0.7805	Intermediate Similarity	NPC306727
0.7802	Intermediate Similarity	NPC48732
0.7791	Intermediate Similarity	NPC474683
0.7791	Intermediate Similarity	NPC474752
0.7791	Intermediate Similarity	NPC209620
0.7791	Intermediate Similarity	NPC82986
0.7791	Intermediate Similarity	NPC7505
0.7791	Intermediate Similarity	NPC23852
0.7791	Intermediate Similarity	NPC474731
0.7791	Intermediate Similarity	NPC474759
0.7789	Intermediate Similarity	NPC476895
0.7778	Intermediate Similarity	NPC164022
0.7778	Intermediate Similarity	NPC242992
0.7778	Intermediate Similarity	NPC67872
0.7778	Intermediate Similarity	NPC33053
0.7778	Intermediate Similarity	NPC280556
0.7766	Intermediate Similarity	NPC165632
0.7765	Intermediate Similarity	NPC242767
0.7765	Intermediate Similarity	NPC476701
0.7755	Intermediate Similarity	NPC296950
0.7755	Intermediate Similarity	NPC93352
0.7755	Intermediate Similarity	NPC146731
0.7753	Intermediate Similarity	NPC471219
0.7753	Intermediate Similarity	NPC299068
0.775	Intermediate Similarity	NPC471560
0.775	Intermediate Similarity	NPC474248
0.7742	Intermediate Similarity	NPC182826
0.7742	Intermediate Similarity	NPC105490
0.7742	Intermediate Similarity	NPC196227
0.7742	Intermediate Similarity	NPC105375
0.7742	Intermediate Similarity	NPC189513
0.7738	Intermediate Similarity	NPC470711
0.7738	Intermediate Similarity	NPC471798
0.7738	Intermediate Similarity	NPC470758
0.7732	Intermediate Similarity	NPC11956
0.7732	Intermediate Similarity	NPC475344
0.7732	Intermediate Similarity	NPC476471
0.7727	Intermediate Similarity	NPC238992
0.7727	Intermediate Similarity	NPC102048
0.7727	Intermediate Similarity	NPC470077
0.7723	Intermediate Similarity	NPC5103
0.7722	Intermediate Similarity	NPC114651
0.7722	Intermediate Similarity	NPC82337
0.7717	Intermediate Similarity	NPC234335
0.7717	Intermediate Similarity	NPC116726
0.7717	Intermediate Similarity	NPC114389
0.7717	Intermediate Similarity	NPC477574
0.7711	Intermediate Similarity	NPC477923
0.7711	Intermediate Similarity	NPC66566
0.7708	Intermediate Similarity	NPC188968
0.7708	Intermediate Similarity	NPC471242
0.7708	Intermediate Similarity	NPC469942
0.7708	Intermediate Similarity	NPC473510

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC83702 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	139
0.1-0.2	1375
0.2-0.3	3697
0.3-0.4	2383
0.4-0.5	1092
0.5-0.6	286
0.6-0.7	160
0.7-0.8	29
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
0.7727	Intermediate Similarity	NPD7338	Clinical (unspecified phase)
0.7667	Intermediate Similarity	NPD7524	Approved
0.7614	Intermediate Similarity	NPD6695	Phase 3
0.7473	Intermediate Similarity	NPD4751	Clinical (unspecified phase)
0.7471	Intermediate Similarity	NPD6930	Phase 2
0.7471	Intermediate Similarity	NPD6931	Approved
0.7356	Intermediate Similarity	NPD7645	Phase 2
0.7356	Intermediate Similarity	NPD6929	Approved
0.7308	Intermediate Similarity	NPD368	Approved
0.7283	Intermediate Similarity	NPD7750	Discontinued
0.7273	Intermediate Similarity	NPD7514	Phase 3
0.7273	Intermediate Similarity	NPD7525	Registered
0.7273	Intermediate Similarity	NPD5344	Discontinued
0.7273	Intermediate Similarity	NPD7332	Phase 2
0.7245	Intermediate Similarity	NPD4225	Approved
0.7209	Intermediate Similarity	NPD3701	Clinical (unspecified phase)
0.7209	Intermediate Similarity	NPD6933	Approved
0.7172	Intermediate Similarity	NPD7639	Approved
0.7172	Intermediate Similarity	NPD7640	Approved
0.7126	Intermediate Similarity	NPD6925	Approved
0.7126	Intermediate Similarity	NPD5776	Phase 2
0.7093	Intermediate Similarity	NPD8264	Approved
0.7093	Intermediate Similarity	NPD6942	Approved
0.7093	Intermediate Similarity	NPD7339	Approved
0.7071	Intermediate Similarity	NPD7638	Approved
0.7065	Intermediate Similarity	NPD6893	Approved
0.7045	Intermediate Similarity	NPD7145	Approved
0.7	Intermediate Similarity	NPD6902	Approved
0.7	Intermediate Similarity	NPD6898	Phase 1
0.6979	Remote Similarity	NPD7087	Discontinued
0.6977	Remote Similarity	NPD6926	Approved
0.6977	Remote Similarity	NPD6924	Approved
0.6952	Remote Similarity	NPD4061	Clinical (unspecified phase)
0.6932	Remote Similarity	NPD6932	Approved
0.6857	Remote Similarity	NPD6686	Approved
0.6854	Remote Similarity	NPD7322	Clinical (unspecified phase)
0.6832	Remote Similarity	NPD6648	Approved
0.6778	Remote Similarity	NPD6683	Phase 2
0.6765	Remote Similarity	NPD4159	Approved
0.6757	Remote Similarity	NPD7328	Approved
0.6757	Remote Similarity	NPD7327	Approved
0.6739	Remote Similarity	NPD3667	Approved
0.6726	Remote Similarity	NPD8033	Approved
0.6726	Remote Similarity	NPD7503	Approved
0.6703	Remote Similarity	NPD7509	Discontinued
0.6701	Remote Similarity	NPD6698	Approved
0.6701	Remote Similarity	NPD46	Approved
0.6701	Remote Similarity	NPD7838	Discovery
0.6696	Remote Similarity	NPD7516	Approved
0.6667	Remote Similarity	NPD7115	Discovery
0.6667	Remote Similarity	NPD4732	Discontinued
0.6667	Remote Similarity	NPD6640	Phase 3
0.6637	Remote Similarity	NPD8377	Approved
0.6637	Remote Similarity	NPD8294	Approved
0.6633	Remote Similarity	NPD7637	Suspended
0.6604	Remote Similarity	NPD6412	Phase 2
0.6598	Remote Similarity	NPD6051	Approved
0.6596	Remote Similarity	NPD4786	Approved
0.6596	Remote Similarity	NPD6400	Clinical (unspecified phase)
0.6591	Remote Similarity	NPD4784	Approved
0.6591	Remote Similarity	NPD4785	Approved
0.6579	Remote Similarity	NPD8296	Approved
0.6579	Remote Similarity	NPD8380	Approved
0.6579	Remote Similarity	NPD8379	Approved
0.6579	Remote Similarity	NPD8335	Approved
0.6579	Remote Similarity	NPD8378	Approved
0.6574	Remote Similarity	NPD5955	Clinical (unspecified phase)
0.6566	Remote Similarity	NPD5779	Approved
0.6566	Remote Similarity	NPD5778	Approved
0.6552	Remote Similarity	NPD4243	Approved
0.6538	Remote Similarity	NPD5211	Phase 2
0.6538	Remote Similarity	NPD7632	Discontinued
0.6538	Remote Similarity	NPD342	Phase 1
0.6531	Remote Similarity	NPD3168	Discontinued
0.6522	Remote Similarity	NPD4748	Discontinued
0.6512	Remote Similarity	NPD6922	Approved
0.6512	Remote Similarity	NPD6923	Approved
0.6471	Remote Similarity	NPD4755	Approved
0.6458	Remote Similarity	NPD3618	Phase 1
0.6455	Remote Similarity	NPD6053	Discontinued
0.6437	Remote Similarity	NPD7144	Approved
0.6437	Remote Similarity	NPD7143	Approved
0.6429	Remote Similarity	NPD4753	Phase 2
0.6422	Remote Similarity	NPD6371	Approved
0.6422	Remote Similarity	NPD4634	Approved
0.6421	Remote Similarity	NPD3666	Approved
0.6421	Remote Similarity	NPD3133	Approved
0.6421	Remote Similarity	NPD3665	Phase 1
0.6415	Remote Similarity	NPD5141	Approved
0.6408	Remote Similarity	NPD8029	Clinical (unspecified phase)
0.64	Remote Similarity	NPD4202	Approved
0.64	Remote Similarity	NPD6399	Phase 3
0.6396	Remote Similarity	NPD4632	Approved
0.6389	Remote Similarity	NPD5345	Clinical (unspecified phase)
0.6364	Remote Similarity	NPD7150	Approved
0.6364	Remote Similarity	NPD7151	Approved
0.6364	Remote Similarity	NPD7136	Phase 2
0.6364	Remote Similarity	NPD7152	Approved
0.6356	Remote Similarity	NPD7507	Approved
0.6346	Remote Similarity	NPD4696	Approved
0.6346	Remote Similarity	NPD5286	Approved
0.6346	Remote Similarity	NPD5285	Approved
0.6346	Remote Similarity	NPD4700	Approved
0.6333	Remote Similarity	NPD5275	Approved
0.6333	Remote Similarity	NPD4190	Phase 3
0.63	Remote Similarity	NPD7515	Phase 2
0.63	Remote Similarity	NPD7983	Approved
0.6296	Remote Similarity	NPD5954	Clinical (unspecified phase)
0.6289	Remote Similarity	NPD4519	Discontinued
0.6289	Remote Similarity	NPD4623	Approved
0.6263	Remote Similarity	NPD5328	Approved
0.625	Remote Similarity	NPD3668	Phase 3
0.6237	Remote Similarity	NPD4195	Approved
0.6226	Remote Similarity	NPD4633	Approved
0.6226	Remote Similarity	NPD5226	Approved
0.6226	Remote Similarity	NPD5225	Approved
0.6226	Remote Similarity	NPD5224	Approved
0.6216	Remote Similarity	NPD8413	Clinical (unspecified phase)
0.6211	Remote Similarity	NPD4752	Clinical (unspecified phase)
0.6207	Remote Similarity	NPD7741	Discontinued
0.6207	Remote Similarity	NPD6319	Approved
0.6204	Remote Similarity	NPD6675	Approved
0.6204	Remote Similarity	NPD7128	Approved
0.6204	Remote Similarity	NPD6402	Approved
0.6204	Remote Similarity	NPD5739	Approved
0.6198	Remote Similarity	NPD7319	Approved
0.6182	Remote Similarity	NPD8132	Clinical (unspecified phase)
0.6176	Remote Similarity	NPD7748	Approved
0.6176	Remote Similarity	NPD5282	Discontinued
0.617	Remote Similarity	NPD4695	Discontinued
0.617	Remote Similarity	NPD4822	Approved
0.617	Remote Similarity	NPD4819	Approved
0.617	Remote Similarity	NPD4820	Approved
0.617	Remote Similarity	NPD4821	Approved
0.6168	Remote Similarity	NPD5175	Approved
0.6168	Remote Similarity	NPD5174	Approved
0.6154	Remote Similarity	NPD8517	Approved
0.6154	Remote Similarity	NPD7902	Approved
0.6154	Remote Similarity	NPD8515	Approved
0.6154	Remote Similarity	NPD8516	Approved
0.6154	Remote Similarity	NPD8513	Phase 3
0.6154	Remote Similarity	NPD6083	Phase 2
0.6154	Remote Similarity	NPD6084	Phase 2
0.6147	Remote Similarity	NPD5701	Approved
0.6147	Remote Similarity	NPD5697	Approved
0.6146	Remote Similarity	NPD6110	Phase 1
0.6139	Remote Similarity	NPD6079	Approved
0.6139	Remote Similarity	NPD6411	Approved
0.6136	Remote Similarity	NPD4267	Clinical (unspecified phase)
0.6132	Remote Similarity	NPD5223	Approved
0.6122	Remote Similarity	NPD4249	Approved
0.6122	Remote Similarity	NPD5279	Phase 3
0.6118	Remote Similarity	NPD371	Approved
0.6117	Remote Similarity	NPD5210	Approved
0.6117	Remote Similarity	NPD5695	Phase 3
0.6117	Remote Similarity	NPD4629	Approved
0.6106	Remote Similarity	NPD8133	Approved
0.6091	Remote Similarity	NPD7320	Approved
0.6091	Remote Similarity	NPD6881	Approved
0.6091	Remote Similarity	NPD6899	Approved
0.6087	Remote Similarity	NPD6009	Approved
0.6068	Remote Similarity	NPD6054	Approved
0.6068	Remote Similarity	NPD6059	Approved
0.6061	Remote Similarity	NPD4251	Approved
0.6061	Remote Similarity	NPD4250	Approved
0.6058	Remote Similarity	NPD4697	Phase 3
0.6058	Remote Similarity	NPD5222	Approved
0.6058	Remote Similarity	NPD5220	Clinical (unspecified phase)
0.6058	Remote Similarity	NPD5221	Approved
0.6055	Remote Similarity	NPD4768	Approved
0.6055	Remote Similarity	NPD6008	Approved
0.6055	Remote Similarity	NPD4767	Approved
0.6049	Remote Similarity	NPD4219	Approved
0.6042	Remote Similarity	NPD4221	Approved
0.6042	Remote Similarity	NPD4223	Phase 3
0.6036	Remote Similarity	NPD6012	Approved
0.6036	Remote Similarity	NPD6014	Approved
0.6036	Remote Similarity	NPD6372	Approved
0.6036	Remote Similarity	NPD6013	Approved
0.6036	Remote Similarity	NPD6373	Approved
0.602	Remote Similarity	NPD1696	Phase 3
0.602	Remote Similarity	NPD1694	Approved
0.6019	Remote Similarity	NPD4754	Approved
0.6018	Remote Similarity	NPD8297	Approved
0.6017	Remote Similarity	NPD6016	Approved
0.6017	Remote Similarity	NPD6015	Approved
0.6	Remote Similarity	NPD5173	Approved
0.6	Remote Similarity	NPD5790	Clinical (unspecified phase)
0.6	Remote Similarity	NPD7899	Clinical (unspecified phase)
0.5982	Remote Similarity	NPD7290	Approved
0.5982	Remote Similarity	NPD6883	Approved
0.5982	Remote Similarity	NPD7102	Approved
0.5966	Remote Similarity	NPD5126	Approved
0.5966	Remote Similarity	NPD5988	Approved
0.5966	Remote Similarity	NPD6370	Approved
0.5966	Remote Similarity	NPD5125	Phase 3
0.596	Remote Similarity	NPD3574	Clinical (unspecified phase)
0.5957	Remote Similarity	NPD4271	Approved
0.5957	Remote Similarity	NPD4268	Approved
0.5948	Remote Similarity	NPD8295	Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID	44557563
ChEMBL	CHEMBL1080769
ZINC

Physicochemical Properties

Molecular Weight:	284.20
ALogP:	-0.5803
MLogP:	2.78
XLogP:	1.745
# Rotatable Bonds:	10
Polar Surface Area:	69.92
# H-Bond Aceptor:	4
# H-Bond Donor:	3
# Rings:	2
# Heavy Atoms:	20

Download Data

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