NPASS Natural Product

Natural Product: NPC223834

Natural Product ID:	NPC223834
Common Name:	Dihydrovomifoliol-O-Beta-D-Glucopyranoside
IUPAC Name:	(4S)-4-hydroxy-3,5,5-trimethyl-4-[(3R)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]cyclohex-2-en-1-one
Synonyms:
Molecular Formula:	C19H32O8
Standard InCHIKey:	CZYPGTRKJFYXLT-SUHXYMONSA-N
Standard InCHI:	InChI=1S/C19H32O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h7,11,13-17,20,22-25H,5-6,8-9H2,1-4H3/t11-,13-,14-,15+,16-,17-,19-/m1/s1
Canonical SMILES:	OC[C@H]1O[C@@H](O[C@@H](CC[C@@]2(O)C(=CC(=O)CC2(C)C)C)C)[C@@H]([C@H]([C@@H]1O)O)O
First Find Year:
Max Developmental Stage:
Synthetic Gene Cluster:	;

Species Source

Organism ID	Organism Name	Taxonomy Level	Family	SuperKingdom	Isolation Part	Reference
NPO11884	Macaranga tanarius	Species	Euphorbiaceae	Eukaryota		UNPD*
NPO19369	Bacillus thuringiensis	Species	Bacillaceae	Bacteria		UNPD*
NPO422	Euphorbia cornigera	Species	Euphorbiaceae	Eukaryota		UNPD*
NPO477	Lepraria xanthina	Species	Stereocaulaceae	Eukaryota		UNPD*
NPO3453	Elaeocarpus fuscoides	Species	Elaeocarpaceae	Eukaryota		UNPD*
NPO2408	Millettia laurentii	Species	Fabaceae	Eukaryota		UNPD*
NPO305	Vitex pinnata	Species	Lamiaceae	Eukaryota		UNPD*
NPO1242	Balanops australiana	Species	Balanopaceae	Eukaryota		UNPD*
NPO7007	Eucalyptus jenseni	Species	Myrtaceae	Eukaryota		UNPD*
NPO3408	Viguiera decurrens	Species	Asteraceae	Eukaryota		UNPD*
NPO3956	Maesa ramentacea	Species	Primulaceae	Eukaryota		UNPD*
NPO5584	Aldisa sanguinea	Species	Dorididae	Eukaryota		UNPD*
NPO15487	Gymnopus confluens	Species	Omphalotaceae	Eukaryota		UNPD*
NPO23577	Wolfiporia cocos	Species	Coriolaceae	Eukaryota		UNPD*
NPO2993	Nototodarus sloanii	Species	Ommastrephidae	Eukaryota		UNPD*
NPO3280	Penicillium crustaceum	Species	Aspergillaceae	Eukaryota		UNPD*
NPO14054	Penicillium janczewskii	Species	Aspergillaceae	Eukaryota		UNPD*
NPO1489	Pseudoplexaura flagellosa	Species	Plexauridae	Eukaryota		UNPD*
NPO6330	Croton caudatus	Species	Euphorbiaceae	Eukaryota		UNPD*
NPO8058	Pluchea odorata	Species	Asteraceae	Eukaryota		UNPD*
NPO3554	Aonidiella aurantii	Species	Diaspididae	Eukaryota		UNPD*
NPO7760	Macrolepiota neomastoidea	Species	Agaricaceae	Eukaryota		UNPD*
NPO17593	Pinus sylvestris	Species	Pinaceae	Eukaryota		UNPD*
NPO6648	Piper retrofractum	Species	Piperaceae	Eukaryota	Leaves	PMID[25127165]
NPO1390	Melolontha melolontha	Species	Scarabaeidae	Eukaryota		UNPD*
NPO4949	Salvia yosgadensis	Species	Lamiaceae	Eukaryota		UNPD*
NPO896	Streptomyces kanamyceticus	Species	Streptomycetaceae	Bacteria		UNPD*
NPO18993	Araiostegiella perdurans	Species	Davalliaceae	Eukaryota		UNPD*
NPO24089	Alcea rosea	Species	Malvaceae	Eukaryota		UNPD*
NPO6231	Cortinarius odoratus	Species	Cortinariaceae	Eukaryota		UNPD*
NPO10729	Lechevalieria aerocolonigenes	Species	Pseudonocardiaceae	Bacteria		UNPD*
NPO2250	Hylocomium splendens	Species	Hylocomiaceae	Eukaryota		UNPD*
NPO11747	Ocimum tenuiflorum	Species	Lamiaceae	Eukaryota		UNPD*
NPO15164	Jacobaea adonidifolia	Species	Asteraceae	Eukaryota		UNPD*
NPO1209	Swartzia madagascariensis	Species	Fabaceae	Eukaryota		UNPD*
NPO7087	Oxera splendida	Species	Lamiaceae	Eukaryota		UNPD*
NPO5344	Calodendrum capense	Species	Rutaceae	Eukaryota		UNPD*
NPO4564	Anguilla japonica	Species	Anguillidae	Eukaryota		UNPD*
NPO5975	Aspergillus carneus	Species	Aspergillaceae	Eukaryota		UNPD*
NPO7606	Salacia lehmbachii	Species	Celastraceae	Eukaryota		UNPD*
NPO7449	Eleutherobia albiflora	Species	Alcyoniidae	Eukaryota		UNPD*
NPO5508	Stevia purpurea	Species	Asteraceae	Eukaryota		UNPD*
NPO2697	Monodora tenuifolia	Species	Annonaceae	Eukaryota		UNPD*
NPO295	Kokoona reflexa	Species	Celastraceae	Eukaryota		UNPD*
NPO6457	Pinus strobus	Species	Pinaceae	Eukaryota		UNPD*
NPO849	Euonymus tingens	Species	Celastraceae	Eukaryota		UNPD*
NPO8543	Meconopsis horridula	Species	Papaveraceae	Eukaryota		UNPD*
NPO3743	Sideritis brevibracteata	Species	Lamiaceae	Eukaryota		UNPD*
NPO25760	Aspergillus striatus	Species	Aspergillaceae	Eukaryota		UNPD*
NPO12330	Pseudophryne coriacea	Species	Myobatrachidae	Eukaryota		UNPD*
NPO1581	Passiflora caerulea	Species	Passifloraceae	Eukaryota		UNPD*
NPO4274	Alcyonium utinomii	Species	Alcyoniidae	Eukaryota		UNPD*
NPO5261	Sideroxylon cubense	Species	Sapotaceae	Eukaryota		UNPD*
NPO6836	Alpinia blepharocalyx	Species	Zingiberaceae	Eukaryota		UNPD*
NPO3261	Aplysina archeri	Species	Aplysinidae	Eukaryota		UNPD*

Biological Activity

Activity Type	# Activity
Others	6

Activity Type	# Activity
Individual Protein	1
Others	5

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT60	Individual Protein	Lysosomal alpha-glucosidase	Homo sapiens	Inhibition	=	6.9	%	25127165
NPT35	Others	n.a.		Activity	=	0.12	nM	25127165
NPT35	Others	n.a.		Activity	=	0.92	nM	25127165
NPT2	Others	Unspecified		Activity	=	0.21	nM	25127165
NPT2	Others	Unspecified		Activity	=	0.34	nM	25127165
NPT2	Others	Unspecified		Activity	=	20.5	%	25127165

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 NPC223834 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	152
0.1-0.2	848
0.2-0.3	2762
0.3-0.4	4788
0.4-0.5	9669
0.5-0.6	5861
0.6-0.7	4645
0.7-0.8	2086
0.8-0.85	61
0.85-0.9	9
0.9-0.95	8
0.95-1	0

Similarity Score	Similarity Level	Natural Product ID
0.9167	High Similarity	NPC474194
0.9158	High Similarity	NPC108141
0.9072	High Similarity	NPC56071
0.9072	High Similarity	NPC307517
0.9072	High Similarity	NPC81483
0.9072	High Similarity	NPC70733
0.9072	High Similarity	NPC169468
0.9072	High Similarity	NPC61630
0.89	High Similarity	NPC151516
0.8889	High Similarity	NPC154127
0.8704	High Similarity	NPC234522
0.8586	High Similarity	NPC278506
0.8585	High Similarity	NPC174836
0.8558	High Similarity	NPC473288
0.8545	High Similarity	NPC48692
0.85	High Similarity	NPC198422
0.85	High Similarity	NPC40182
0.8485	Intermediate Similarity	NPC256230
0.8469	Intermediate Similarity	NPC2003
0.8469	Intermediate Similarity	NPC25701
0.8426	Intermediate Similarity	NPC181145
0.8396	Intermediate Similarity	NPC83005
0.8393	Intermediate Similarity	NPC28532
0.8381	Intermediate Similarity	NPC177524
0.8381	Intermediate Similarity	NPC219900
0.8381	Intermediate Similarity	NPC392
0.8381	Intermediate Similarity	NPC272576
0.8333	Intermediate Similarity	NPC311592
0.8333	Intermediate Similarity	NPC75167
0.83	Intermediate Similarity	NPC143446
0.8286	Intermediate Similarity	NPC293512
0.8269	Intermediate Similarity	NPC470104
0.8265	Intermediate Similarity	NPC302584
0.8252	Intermediate Similarity	NPC150463
0.8252	Intermediate Similarity	NPC214277
0.8241	Intermediate Similarity	NPC471967
0.8224	Intermediate Similarity	NPC154856
0.8224	Intermediate Similarity	NPC46407
0.8224	Intermediate Similarity	NPC52241
0.8224	Intermediate Similarity	NPC235014
0.8224	Intermediate Similarity	NPC475317
0.8165	Intermediate Similarity	NPC62696
0.8165	Intermediate Similarity	NPC260665
0.8165	Intermediate Similarity	NPC477944
0.8165	Intermediate Similarity	NPC293038
0.8144	Intermediate Similarity	NPC471755
0.8144	Intermediate Similarity	NPC471756
0.8142	Intermediate Similarity	NPC202051
0.8131	Intermediate Similarity	NPC246205
0.8119	Intermediate Similarity	NPC90583
0.8095	Intermediate Similarity	NPC100955
0.8095	Intermediate Similarity	NPC121566
0.8091	Intermediate Similarity	NPC220293
0.8091	Intermediate Similarity	NPC74727
0.8091	Intermediate Similarity	NPC102088
0.8081	Intermediate Similarity	NPC475441
0.8081	Intermediate Similarity	NPC472197
0.8077	Intermediate Similarity	NPC476126
0.8077	Intermediate Similarity	NPC476235
0.8073	Intermediate Similarity	NPC210420
0.8073	Intermediate Similarity	NPC37739
0.8073	Intermediate Similarity	NPC46388
0.8073	Intermediate Similarity	NPC474265
0.8073	Intermediate Similarity	NPC130427
0.8039	Intermediate Similarity	NPC240372
0.8036	Intermediate Similarity	NPC45475
0.8019	Intermediate Similarity	NPC63023
0.8019	Intermediate Similarity	NPC95243
0.8	Intermediate Similarity	NPC189884
0.8	Intermediate Similarity	NPC474410
0.8	Intermediate Similarity	NPC293658
0.8	Intermediate Similarity	NPC264153
0.8	Intermediate Similarity	NPC138334
0.8	Intermediate Similarity	NPC47063
0.8	Intermediate Similarity	NPC320089
0.8	Intermediate Similarity	NPC269315
0.8	Intermediate Similarity	NPC271138
0.8	Intermediate Similarity	NPC204458
0.7982	Intermediate Similarity	NPC191763
0.7981	Intermediate Similarity	NPC476213
0.7981	Intermediate Similarity	NPC477870
0.7981	Intermediate Similarity	NPC477871
0.7981	Intermediate Similarity	NPC476246
0.7981	Intermediate Similarity	NPC97435
0.7981	Intermediate Similarity	NPC280991
0.7963	Intermediate Similarity	NPC57362
0.7963	Intermediate Similarity	NPC204407
0.7963	Intermediate Similarity	NPC306746
0.7963	Intermediate Similarity	NPC237503
0.7963	Intermediate Similarity	NPC167383
0.7963	Intermediate Similarity	NPC137917
0.7949	Intermediate Similarity	NPC152091
0.7946	Intermediate Similarity	NPC474483
0.7946	Intermediate Similarity	NPC471547
0.7946	Intermediate Similarity	NPC23046
0.7946	Intermediate Similarity	NPC309433
0.7944	Intermediate Similarity	NPC143609
0.7928	Intermediate Similarity	NPC473882
0.7928	Intermediate Similarity	NPC165439
0.7928	Intermediate Similarity	NPC474557
0.7928	Intermediate Similarity	NPC472274
0.7928	Intermediate Similarity	NPC475163
0.7928	Intermediate Similarity	NPC477580
0.7925	Intermediate Similarity	NPC470768
0.7909	Intermediate Similarity	NPC116794
0.7909	Intermediate Similarity	NPC256798
0.7909	Intermediate Similarity	NPC128925
0.7905	Intermediate Similarity	NPC201191
0.7895	Intermediate Similarity	NPC473130
0.7895	Intermediate Similarity	NPC268184
0.789	Intermediate Similarity	NPC199457
0.789	Intermediate Similarity	NPC476885
0.789	Intermediate Similarity	NPC476882
0.789	Intermediate Similarity	NPC474589
0.789	Intermediate Similarity	NPC78046
0.789	Intermediate Similarity	NPC68419
0.789	Intermediate Similarity	NPC220984
0.789	Intermediate Similarity	NPC476883
0.789	Intermediate Similarity	NPC270667
0.789	Intermediate Similarity	NPC110139
0.789	Intermediate Similarity	NPC274507
0.789	Intermediate Similarity	NPC29069
0.789	Intermediate Similarity	NPC75747
0.789	Intermediate Similarity	NPC127056
0.789	Intermediate Similarity	NPC476881
0.789	Intermediate Similarity	NPC174679
0.789	Intermediate Similarity	NPC476886
0.789	Intermediate Similarity	NPC279554
0.789	Intermediate Similarity	NPC90856
0.789	Intermediate Similarity	NPC164194
0.789	Intermediate Similarity	NPC59804
0.789	Intermediate Similarity	NPC102914
0.789	Intermediate Similarity	NPC476880
0.789	Intermediate Similarity	NPC476887
0.789	Intermediate Similarity	NPC7870
0.789	Intermediate Similarity	NPC129340
0.789	Intermediate Similarity	NPC136877
0.789	Intermediate Similarity	NPC476884
0.789	Intermediate Similarity	NPC27551
0.789	Intermediate Similarity	NPC108709
0.789	Intermediate Similarity	NPC56713
0.789	Intermediate Similarity	NPC475296
0.789	Intermediate Similarity	NPC269095
0.789	Intermediate Similarity	NPC114961
0.7885	Intermediate Similarity	NPC64348
0.7876	Intermediate Similarity	NPC473828
0.7876	Intermediate Similarity	NPC473617
0.7876	Intermediate Similarity	NPC176005
0.787	Intermediate Similarity	NPC476123
0.787	Intermediate Similarity	NPC177246
0.787	Intermediate Similarity	NPC151393
0.787	Intermediate Similarity	NPC28198
0.787	Intermediate Similarity	NPC94942
0.787	Intermediate Similarity	NPC284807
0.7864	Intermediate Similarity	NPC266842
0.7864	Intermediate Similarity	NPC91197
0.7864	Intermediate Similarity	NPC309503
0.7864	Intermediate Similarity	NPC96597
0.7864	Intermediate Similarity	NPC125551
0.7864	Intermediate Similarity	NPC155319
0.7864	Intermediate Similarity	NPC124246
0.7864	Intermediate Similarity	NPC239547
0.7863	Intermediate Similarity	NPC297950
0.7863	Intermediate Similarity	NPC222307
0.7857	Intermediate Similarity	NPC58448
0.7857	Intermediate Similarity	NPC160415
0.7857	Intermediate Similarity	NPC31797
0.7857	Intermediate Similarity	NPC279638
0.7857	Intermediate Similarity	NPC471816
0.785	Intermediate Similarity	NPC210178
0.785	Intermediate Similarity	NPC470763
0.785	Intermediate Similarity	NPC111952
0.785	Intermediate Similarity	NPC162033
0.785	Intermediate Similarity	NPC470767
0.785	Intermediate Similarity	NPC239961
0.7838	Intermediate Similarity	NPC200944
0.7838	Intermediate Similarity	NPC73455
0.7838	Intermediate Similarity	NPC473159
0.7838	Intermediate Similarity	NPC178981
0.7833	Intermediate Similarity	NPC231240
0.783	Intermediate Similarity	NPC99266
0.783	Intermediate Similarity	NPC8196
0.783	Intermediate Similarity	NPC478057
0.7826	Intermediate Similarity	NPC170084
0.7826	Intermediate Similarity	NPC476204
0.7826	Intermediate Similarity	NPC42675
0.7822	Intermediate Similarity	NPC91654
0.7822	Intermediate Similarity	NPC67398
0.7822	Intermediate Similarity	NPC474792
0.7818	Intermediate Similarity	NPC179434
0.7818	Intermediate Similarity	NPC211798
0.7818	Intermediate Similarity	NPC285410
0.7818	Intermediate Similarity	NPC297208
0.7818	Intermediate Similarity	NPC164419
0.7818	Intermediate Similarity	NPC250481
0.7818	Intermediate Similarity	NPC108748
0.7818	Intermediate Similarity	NPC235841
0.7818	Intermediate Similarity	NPC30397
0.7818	Intermediate Similarity	NPC473481
0.7818	Intermediate Similarity	NPC263827

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC223834 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	162
0.1-0.2	1400
0.2-0.3	3637
0.3-0.4	2563
0.4-0.5	830
0.5-0.6	324
0.6-0.7	209
0.7-0.8	34
0.8-0.85	2
0.85-0.9	0
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.8381	Intermediate Similarity	NPD6686	Approved
0.8286	Intermediate Similarity	NPD6412	Phase 2
0.7798	Intermediate Similarity	NPD8132	Clinical (unspecified phase)
0.7692	Intermediate Similarity	NPD8328	Phase 3
0.7563	Intermediate Similarity	NPD7507	Approved
0.7451	Intermediate Similarity	NPD6698	Approved
0.7451	Intermediate Similarity	NPD46	Approved
0.7377	Intermediate Similarity	NPD7319	Approved
0.7311	Intermediate Similarity	NPD6370	Approved
0.729	Intermediate Similarity	NPD8029	Clinical (unspecified phase)
0.7265	Intermediate Similarity	NPD7328	Approved
0.7265	Intermediate Similarity	NPD7327	Approved
0.7227	Intermediate Similarity	NPD8513	Phase 3
0.7227	Intermediate Similarity	NPD8516	Approved
0.7227	Intermediate Similarity	NPD8515	Approved
0.7227	Intermediate Similarity	NPD7503	Approved
0.7227	Intermediate Similarity	NPD8517	Approved
0.7203	Intermediate Similarity	NPD7516	Approved
0.7193	Intermediate Similarity	NPD8413	Clinical (unspecified phase)
0.7179	Intermediate Similarity	NPD8295	Clinical (unspecified phase)
0.7143	Intermediate Similarity	NPD6054	Approved
0.7143	Intermediate Similarity	NPD6059	Approved
0.7143	Intermediate Similarity	NPD8377	Approved
0.7143	Intermediate Similarity	NPD8294	Approved
0.7105	Intermediate Similarity	NPD6371	Approved
0.7083	Intermediate Similarity	NPD8378	Approved
0.7083	Intermediate Similarity	NPD8335	Approved
0.7083	Intermediate Similarity	NPD8380	Approved
0.7083	Intermediate Similarity	NPD8296	Approved
0.7083	Intermediate Similarity	NPD8033	Approved
0.7083	Intermediate Similarity	NPD8379	Approved
0.7073	Intermediate Similarity	NPD8293	Discontinued
0.7069	Intermediate Similarity	NPD8133	Approved
0.7034	Intermediate Similarity	NPD7115	Discovery
0.7018	Intermediate Similarity	NPD4061	Clinical (unspecified phase)
0.7016	Intermediate Similarity	NPD7736	Approved
0.6983	Remote Similarity	NPD6882	Approved
0.6972	Remote Similarity	NPD4225	Approved
0.6967	Remote Similarity	NPD6067	Discontinued
0.6957	Remote Similarity	NPD5955	Clinical (unspecified phase)
0.6942	Remote Similarity	NPD6016	Approved
0.6942	Remote Similarity	NPD6015	Approved
0.6916	Remote Similarity	NPD5282	Discontinued
0.6911	Remote Similarity	NPD7492	Approved
0.6909	Remote Similarity	NPD7640	Approved
0.6909	Remote Similarity	NPD7639	Approved
0.6891	Remote Similarity	NPD6009	Approved
0.6887	Remote Similarity	NPD7983	Approved
0.6885	Remote Similarity	NPD5988	Approved
0.6881	Remote Similarity	NPD7902	Approved
0.687	Remote Similarity	NPD6373	Approved
0.687	Remote Similarity	NPD6372	Approved
0.6863	Remote Similarity	NPD6400	Clinical (unspecified phase)
0.686	Remote Similarity	NPD6319	Approved
0.6855	Remote Similarity	NPD6616	Approved
0.6838	Remote Similarity	NPD8297	Approved
0.6822	Remote Similarity	NPD5779	Approved
0.6822	Remote Similarity	NPD5778	Approved
0.6818	Remote Similarity	NPD7638	Approved
0.68	Remote Similarity	NPD7078	Approved
0.6783	Remote Similarity	NPD5345	Clinical (unspecified phase)
0.678	Remote Similarity	NPD4632	Approved
0.6765	Remote Similarity	NPD6110	Phase 1
0.6759	Remote Similarity	NPD7748	Approved
0.6754	Remote Similarity	NPD7128	Approved
0.6754	Remote Similarity	NPD5739	Approved
0.6754	Remote Similarity	NPD6675	Approved
0.6754	Remote Similarity	NPD6402	Approved
0.6752	Remote Similarity	NPD6649	Approved
0.6752	Remote Similarity	NPD6650	Approved
0.6731	Remote Similarity	NPD3618	Phase 1
0.6729	Remote Similarity	NPD7515	Phase 2
0.6727	Remote Similarity	NPD6084	Phase 2
0.6727	Remote Similarity	NPD6083	Phase 2
0.6696	Remote Similarity	NPD5954	Clinical (unspecified phase)
0.6696	Remote Similarity	NPD5344	Discontinued
0.6696	Remote Similarity	NPD7899	Clinical (unspecified phase)
0.6694	Remote Similarity	NPD7641	Discontinued
0.6667	Remote Similarity	NPD6399	Phase 3
0.6667	Remote Similarity	NPD8074	Phase 3
0.664	Remote Similarity	NPD8342	Approved
0.664	Remote Similarity	NPD8299	Approved
0.664	Remote Similarity	NPD8341	Approved
0.664	Remote Similarity	NPD8340	Approved
0.6638	Remote Similarity	NPD7320	Approved
0.6638	Remote Similarity	NPD6881	Approved
0.6638	Remote Similarity	NPD6899	Approved
0.6637	Remote Similarity	NPD5211	Phase 2
0.6636	Remote Similarity	NPD7838	Discovery
0.6614	Remote Similarity	NPD6033	Approved
0.6606	Remote Similarity	NPD7901	Clinical (unspecified phase)
0.6606	Remote Similarity	NPD7900	Approved
0.6577	Remote Similarity	NPD4755	Approved
0.6574	Remote Similarity	NPD6411	Approved
0.656	Remote Similarity	NPD7642	Approved
0.6555	Remote Similarity	NPD6053	Discontinued
0.6552	Remote Similarity	NPD5697	Approved
0.6552	Remote Similarity	NPD5701	Approved
0.6545	Remote Similarity	NPD5695	Phase 3
0.6542	Remote Similarity	NPD5328	Approved
0.6542	Remote Similarity	NPD4753	Phase 2
0.6538	Remote Similarity	NPD3666	Approved
0.6538	Remote Similarity	NPD3133	Approved
0.6538	Remote Similarity	NPD3665	Phase 1
0.6525	Remote Similarity	NPD6883	Approved
0.6525	Remote Similarity	NPD4634	Approved
0.6525	Remote Similarity	NPD7290	Approved
0.6525	Remote Similarity	NPD7102	Approved
0.6522	Remote Similarity	NPD5141	Approved
0.6518	Remote Similarity	NPD5696	Approved
0.6514	Remote Similarity	NPD4202	Approved
0.6512	Remote Similarity	NPD6914	Discontinued
0.6509	Remote Similarity	NPD7524	Approved
0.6486	Remote Similarity	NPD7839	Suspended
0.6471	Remote Similarity	NPD6869	Approved
0.6471	Remote Similarity	NPD6617	Approved
0.6471	Remote Similarity	NPD6847	Approved
0.6471	Remote Similarity	NPD8130	Phase 1
0.6466	Remote Similarity	NPD6008	Approved
0.6462	Remote Similarity	NPD7260	Phase 2
0.646	Remote Similarity	NPD4696	Approved
0.646	Remote Similarity	NPD5285	Approved
0.646	Remote Similarity	NPD4700	Approved
0.646	Remote Similarity	NPD5286	Approved
0.6457	Remote Similarity	NPD8451	Approved
0.6441	Remote Similarity	NPD6014	Approved
0.6441	Remote Similarity	NPD6013	Approved
0.6441	Remote Similarity	NPD6012	Approved
0.6429	Remote Similarity	NPD7830	Approved
0.6429	Remote Similarity	NPD7604	Phase 2
0.6429	Remote Similarity	NPD7829	Approved
0.6422	Remote Similarity	NPD6079	Approved
0.6415	Remote Similarity	NPD7521	Approved
0.6415	Remote Similarity	NPD7146	Approved
0.6415	Remote Similarity	NPD5330	Approved
0.6415	Remote Similarity	NPD6684	Approved
0.6415	Remote Similarity	NPD4623	Approved
0.6415	Remote Similarity	NPD4519	Discontinued
0.6415	Remote Similarity	NPD7334	Approved
0.6415	Remote Similarity	NPD5279	Phase 3
0.6415	Remote Similarity	NPD6409	Approved
0.6406	Remote Similarity	NPD8448	Approved
0.64	Remote Similarity	NPD5983	Phase 2
0.6396	Remote Similarity	NPD5210	Approved
0.6396	Remote Similarity	NPD4629	Approved
0.6389	Remote Similarity	NPD5764	Clinical (unspecified phase)
0.6389	Remote Similarity	NPD6101	Approved
0.6385	Remote Similarity	NPD5956	Approved
0.6381	Remote Similarity	NPD7338	Clinical (unspecified phase)
0.6381	Remote Similarity	NPD4786	Approved
0.6356	Remote Similarity	NPD6011	Approved
0.6349	Remote Similarity	NPD8080	Discontinued
0.6348	Remote Similarity	NPD7632	Discontinued
0.6348	Remote Similarity	NPD4633	Approved
0.6348	Remote Similarity	NPD5224	Approved
0.6348	Remote Similarity	NPD5225	Approved
0.6348	Remote Similarity	NPD5226	Approved
0.6346	Remote Similarity	NPD3667	Approved
0.6346	Remote Similarity	NPD4752	Clinical (unspecified phase)
0.6339	Remote Similarity	NPD4697	Phase 3
0.6333	Remote Similarity	NPD6401	Clinical (unspecified phase)
0.633	Remote Similarity	NPD5785	Approved
0.6328	Remote Similarity	NPD6336	Discontinued
0.6325	Remote Similarity	NPD4767	Approved
0.6325	Remote Similarity	NPD4768	Approved
0.6321	Remote Similarity	NPD1694	Approved
0.6316	Remote Similarity	NPD6648	Approved
0.6311	Remote Similarity	NPD4695	Discontinued
0.6296	Remote Similarity	NPD6672	Approved
0.6296	Remote Similarity	NPD6903	Approved
0.6296	Remote Similarity	NPD5737	Approved
0.6296	Remote Similarity	NPD7513	Clinical (unspecified phase)
0.6293	Remote Similarity	NPD5174	Approved
0.6293	Remote Similarity	NPD5175	Approved
0.6286	Remote Similarity	NPD6695	Phase 3
0.6275	Remote Similarity	NPD5784	Clinical (unspecified phase)
0.6273	Remote Similarity	NPD5281	Approved
0.6273	Remote Similarity	NPD7637	Suspended
0.6273	Remote Similarity	NPD5284	Approved
0.627	Remote Similarity	NPD8444	Approved
0.627	Remote Similarity	NPD6921	Approved
0.6262	Remote Similarity	NPD3574	Clinical (unspecified phase)
0.6261	Remote Similarity	NPD5223	Approved
0.626	Remote Similarity	NPD8390	Approved
0.626	Remote Similarity	NPD8391	Approved
0.626	Remote Similarity	NPD8392	Approved
0.625	Remote Similarity	NPD1698	Clinical (unspecified phase)
0.625	Remote Similarity	NPD6356	Clinical (unspecified phase)
0.6239	Remote Similarity	NPD8170	Clinical (unspecified phase)
0.6231	Remote Similarity	NPD8337	Approved
0.6231	Remote Similarity	NPD8336	Approved
0.6222	Remote Similarity	NPD7966	Clinical (unspecified phase)
0.6218	Remote Similarity	NPD4730	Approved
0.6218	Remote Similarity	NPD4729	Approved
0.621	Remote Similarity	NPD8137	Clinical (unspecified phase)
0.6204	Remote Similarity	NPD3573	Approved
0.6195	Remote Similarity	NPD5221	Approved
0.6195	Remote Similarity	NPD5222	Approved
0.6195	Remote Similarity	NPD5220	Clinical (unspecified phase)
0.619	Remote Similarity	NPD4223	Phase 3

Structure

CID223834 OpenBabel06191716022D 27 28 0 0 1 0 0 0 0 0999 V2000 -0.8660 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -1.7321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5000 -1.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 1.7321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -0.8660 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.7321 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5000 0.8660 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0000 -0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5000 -0.8660 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5000 -0.8660 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0000 -0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0000 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0000 1.7321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5981 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0000 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 -1.7321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 -1.7321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5000 0.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 0.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 3 18 1 0 0 0 0 4 18 1 0 0 0 0 5 6 1 0 0 0 0 5 11 1 0 0 0 0 6 19 1 0 0 0 0 7 10 2 0 0 0 0 7 12 1 0 0 0 0 8 12 1 0 0 0 0 8 18 1 0 0 0 0 9 20 1 0 0 0 0 10 19 1 0 0 0 0 11 2 1 6 0 0 0 11 26 1 0 0 0 0 12 21 2 0 0 0 0 13 9 1 6 0 0 0 13 14 1 0 0 0 0 13 27 1 0 0 0 0 14 15 1 0 0 0 0 14 22 1 1 0 0 0 15 16 1 0 0 0 0 15 23 1 6 0 0 0 16 17 1 0 0 0 0 16 24 1 1 0 0 0 17 26 1 6 0 0 0 17 27 1 0 0 0 0 18 19 1 0 0 0 0 19 25 1 1 0 0 0 M END $$$$

External Identifiers

PubChem CID	14135399
ChEMBL	CHEMBL3326713
ZINC

Physicochemical Properties

Molecular Weight:	388.21
ALogP:	-1.4912
MLogP:	2.67
XLogP:	-0.58
# Rotatable Bonds:	15
Polar Surface Area:	136.68
# H-Bond Aceptor:	8
# H-Bond Donor:	5
# Rings:	2
# Heavy Atoms:	27

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