NPASS Natural Product

Natural Product: NPC30390

Natural Product ID:	NPC30390
Common Name:	(5Z)-3-Benzyl-5-[(3-Chloro-4-Hydroxyphenyl)Methylidene]-4-Propan-2-Ylfuran-2-One
IUPAC Name:	(5Z)-3-benzyl-5-[(3-chloro-4-hydroxyphenyl)methylidene]-4-propan-2-ylfuran-2-one
Synonyms:
Molecular Formula:	C21H19ClO3
Standard InCHIKey:	FJCMKDBQNWQPBT-UNOMPAQXSA-N
Standard InCHI:	InChI=1S/C21H19ClO3/c1-13(2)20-16(10-14-6-4-3-5-7-14)21(24)25-19(20)12-15-8-9-18(23)17(22)11-15/h3-9,11-13,23H,10H2,1-2H3/b19-12-
Canonical SMILES:	CC(C1=C(Cc2ccccc2)C(=O)O/C/1=Cc1ccc(c(c1)Cl)O)C
First Find Year:
Max Developmental Stage:
Synthetic Gene Cluster:	;

Species Source

Organism ID	Organism Name	Taxonomy Level	Family	SuperKingdom	Reference
NPO23436	Cladrastis sikokiana	Species	Fabaceae	Eukaryota	UNPD*
NPO9705	Meyerozyma guilliermondii	Species	Debaryomycetaceae	Eukaryota	UNPD*
NPO4198	Ungernia vvedenskyi	Species	Amaryllidaceae	Eukaryota	UNPD*
NPO4541	Capnella lacertiliensis	Species	Nephtheidae	Eukaryota	UNPD*
NPO8426	Tinospora rumphii	Species	Menispermaceae	Eukaryota	UNPD*
NPO8811	Cytisus prolifer	Species	Fabaceae	Eukaryota	UNPD*
NPO8945	Grevillea robusta	Species	Proteaceae	Eukaryota	UNPD*
NPO28833	Eleutherococcus sieboldianus	Species	Araliaceae	Eukaryota	UNPD*
NPO8305	Katsuwonus pelamis	Species	Scombridae	Eukaryota	UNPD*
NPO19804	Lycopodium saururus	Species	Lycopodiaceae	Eukaryota	UNPD*
NPO1969	Streptomyces pilosus	Species	Streptomycetaceae	Bacteria	UNPD*
NPO7788	Rana catesbeiana	Species	Ranidae	Eukaryota	UNPD*
NPO5335	Nostoc sp	Species	Nostocaceae	Bacteria	UNPD*
NPO834	Peperomia clusiifolia	Species	Piperaceae	Eukaryota	UNPD*
NPO19541	Smilax moranensis	Species	Smilacaceae	Eukaryota	UNPD*
NPO1537	Vaccinium arctostaphylos	Species	Ericaceae	Eukaryota	UNPD*
NPO8623	Anneissia japonica	Species	Comatulidae	Eukaryota	UNPD*
NPO7240	Osteospermum oppositifolium	Species	Asteraceae	Eukaryota	UNPD*
NPO18618	Neurolaena lobata	Species	Asteraceae	Eukaryota	UNPD*
NPO10879	Lasius meridionalis	Species	Formicidae	Eukaryota	UNPD*
NPO3613	Eriobotrya deflexa	Species	Rosaceae	Eukaryota	UNPD*
NPO12744	Ajuga nipponensis	Species	Lamiaceae	Eukaryota	UNPD*

Biological Activity

Activity Type	# Activity
GI50	56

Activity Type	# Activity
Cell Line	56

Target ID	Target Type	Target Name	Target Organism	Activity Type	Value	Unit	Reference
NPT367	Cell Line	MDA-N	Homo sapiens	GI50	16481.62	nM	PubChem BioAssay data set
NPT368	Cell Line	SN12C	Homo sapiens	GI50	16904.41	nM	PubChem BioAssay data set
NPT369	Cell Line	ACHN	Homo sapiens	GI50	14893.61	nM	PubChem BioAssay data set
NPT370	Cell Line	NCI-H23	Homo sapiens	GI50	13091.82	nM	PubChem BioAssay data set
NPT371	Cell Line	UO-31	Homo sapiens	GI50	14387.99	nM	PubChem BioAssay data set
NPT116	Cell Line	HL-60	Homo sapiens	GI50	15739.83	nM	PubChem BioAssay data set
NPT90	Cell Line	DU-145	Homo sapiens	GI50	18197.01	nM	PubChem BioAssay data set
NPT374	Cell Line	SF-539	Homo sapiens	GI50	18620.87	nM	PubChem BioAssay data set
NPT373	Cell Line	SK-MEL-5	Homo sapiens	GI50	16672.47	nM	PubChem BioAssay data set
NPT375	Cell Line	Malme-3M	Homo sapiens	GI50	15812.48	nM	PubChem BioAssay data set
NPT376	Cell Line	A498	Homo sapiens	GI50	17619.76	nM	PubChem BioAssay data set
NPT111	Cell Line	K562	Homo sapiens	GI50	16032.45	nM	PubChem BioAssay data set
NPT112	Cell Line	MOLT-4	Homo sapiens	GI50	10914.4	nM	PubChem BioAssay data set
NPT377	Cell Line	OVCAR-3	Homo sapiens	GI50	14791.08	nM	PubChem BioAssay data set
NPT379	Cell Line	HOP-62	Homo sapiens	GI50	17741.89	nM	PubChem BioAssay data set
NPT378	Cell Line	NCI/ADR-RES	Homo sapiens	GI50	10000	nM	PubChem BioAssay data set
NPT381	Cell Line	OVCAR-8	Homo sapiens	GI50	18323.14	nM	PubChem BioAssay data set
NPT380	Cell Line	U-251	Homo sapiens	GI50	16710.91	nM	PubChem BioAssay data set
NPT382	Cell Line	OVCAR-5	Homo sapiens	GI50	18365.38	nM	PubChem BioAssay data set
NPT383	Cell Line	SNB-19	Homo sapiens	GI50	11534.53	nM	PubChem BioAssay data set
NPT82	Cell Line	MDA-MB-231	Homo sapiens	GI50	16218.1	nM	PubChem BioAssay data set
NPT385	Cell Line	SR	Homo sapiens	GI50	10399.2	nM	PubChem BioAssay data set
NPT384	Cell Line	TK-10	Homo sapiens	GI50	17701.09	nM	PubChem BioAssay data set
NPT323	Cell Line	SW-620	Homo sapiens	GI50	19098.53	nM	PubChem BioAssay data set
NPT386	Cell Line	KM12	Homo sapiens	GI50	18071.74	nM	PubChem BioAssay data set
NPT387	Cell Line	M14	Homo sapiens	GI50	17498.47	nM	PubChem BioAssay data set
NPT388	Cell Line	NCI-H322M	Homo sapiens	GI50	16904.41	nM	PubChem BioAssay data set
NPT389	Cell Line	RPMI-8226	Homo sapiens	GI50	12387.97	nM	PubChem BioAssay data set
NPT456	Cell Line	OVCAR-4	Homo sapiens	GI50	14655.48	nM	PubChem BioAssay data set
NPT390	Cell Line	LOX IMVI	Homo sapiens	GI50	18365.38	nM	PubChem BioAssay data set
NPT457	Cell Line	BT-549	Homo sapiens	GI50	22233.1	nM	PubChem BioAssay data set
NPT391	Cell Line	HCC 2998	Homo sapiens	GI50	14621.77	nM	PubChem BioAssay data set
NPT81	Cell Line	A549	Homo sapiens	GI50	15100.8	nM	PubChem BioAssay data set
NPT392	Cell Line	SNB-75	Homo sapiens	GI50	16943.38	nM	PubChem BioAssay data set
NPT393	Cell Line	HCT-116	Homo sapiens	GI50	15488.17	nM	PubChem BioAssay data set
NPT148	Cell Line	HCT-15	Homo sapiens	GI50	16032.45	nM	PubChem BioAssay data set
NPT394	Cell Line	EKVX	Homo sapiens	GI50	16634.13	nM	PubChem BioAssay data set
NPT395	Cell Line	SF-268	Homo sapiens	GI50	16557.7	nM	PubChem BioAssay data set
NPT306	Cell Line	PC-3	Homo sapiens	GI50	17864.88	nM	PubChem BioAssay data set
NPT83	Cell Line	MCF7	Homo sapiens	GI50	15739.83	nM	PubChem BioAssay data set
NPT146	Cell Line	SK-OV-3	Homo sapiens	GI50	19543.39	nM	PubChem BioAssay data set
NPT397	Cell Line	NCI-H460	Homo sapiens	GI50	17378.01	nM	PubChem BioAssay data set
NPT398	Cell Line	UACC-62	Homo sapiens	GI50	14791.08	nM	PubChem BioAssay data set
NPT308	Cell Line	CAKI-1	Homo sapiens	GI50	18578.04	nM	PubChem BioAssay data set
NPT400	Cell Line	MDA-MB-435	Homo sapiens	GI50	17021.59	nM	PubChem BioAssay data set
NPT458	Cell Line	IGROV-1	Homo sapiens	GI50	16826.74	nM	PubChem BioAssay data set
NPT399	Cell Line	SF-295	Homo sapiens	GI50	15995.58	nM	PubChem BioAssay data set
NPT401	Cell Line	786-0	Homo sapiens	GI50	16519.62	nM	PubChem BioAssay data set
NPT402	Cell Line	Hs-578T	Homo sapiens	GI50	13645.83	nM	PubChem BioAssay data set
NPT403	Cell Line	UACC-257	Homo sapiens	GI50	18793.17	nM	PubChem BioAssay data set
NPT404	Cell Line	CCRF-CEM	Homo sapiens	GI50	15523.87	nM	PubChem BioAssay data set
NPT139	Cell Line	HT-29	Homo sapiens	GI50	18793.17	nM	PubChem BioAssay data set
NPT405	Cell Line	NCI-H226	Homo sapiens	GI50	16634.13	nM	PubChem BioAssay data set
NPT170	Cell Line	SK-MEL-28	Homo sapiens	GI50	16943.38	nM	PubChem BioAssay data set
NPT407	Cell Line	COLO 205	Homo sapiens	GI50	20370.42	nM	PubChem BioAssay data set
NPT406	Cell Line	RXF 393	Homo sapiens	GI50	17458.22	nM	PubChem BioAssay data set

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 NPC30390 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	194
0.1-0.2	1145
0.2-0.3	2462
0.3-0.4	6886
0.4-0.5	7131
0.5-0.6	6861
0.6-0.7	5929
0.7-0.8	273
0.8-0.85	5
0.85-0.9	2
0.9-0.95	0
0.95-1	1

Similarity Score	Similarity Level	Natural Product ID
0.9683	High Similarity	NPC76453
0.8955	High Similarity	NPC86087
0.8759	High Similarity	NPC182475
0.8203	Intermediate Similarity	NPC471033
0.8203	Intermediate Similarity	NPC311091
0.8189	Intermediate Similarity	NPC128249
0.816	Intermediate Similarity	NPC17693
0.8065	Intermediate Similarity	NPC79543
0.797	Intermediate Similarity	NPC14141
0.7829	Intermediate Similarity	NPC472623
0.7829	Intermediate Similarity	NPC296526
0.7769	Intermediate Similarity	NPC19290
0.7727	Intermediate Similarity	NPC264976
0.7717	Intermediate Similarity	NPC183700
0.7698	Intermediate Similarity	NPC31274
0.7698	Intermediate Similarity	NPC48909
0.7692	Intermediate Similarity	NPC51345
0.7681	Intermediate Similarity	NPC217431
0.768	Intermediate Similarity	NPC29989
0.768	Intermediate Similarity	NPC70843
0.768	Intermediate Similarity	NPC95178
0.768	Intermediate Similarity	NPC69332
0.7647	Intermediate Similarity	NPC288945
0.7619	Intermediate Similarity	NPC260952
0.7591	Intermediate Similarity	NPC137416
0.7574	Intermediate Similarity	NPC473942
0.7559	Intermediate Similarity	NPC206341
0.7554	Intermediate Similarity	NPC2596
0.7536	Intermediate Similarity	NPC474476
0.752	Intermediate Similarity	NPC261573
0.752	Intermediate Similarity	NPC120693
0.752	Intermediate Similarity	NPC8931
0.7519	Intermediate Similarity	NPC293424
0.7518	Intermediate Similarity	NPC89630
0.75	Intermediate Similarity	NPC88141
0.75	Intermediate Similarity	NPC246991
0.748	Intermediate Similarity	NPC245561
0.7465	Intermediate Similarity	NPC173034
0.746	Intermediate Similarity	NPC127676
0.7444	Intermediate Similarity	NPC325295
0.7444	Intermediate Similarity	NPC76308
0.7429	Intermediate Similarity	NPC79332
0.7424	Intermediate Similarity	NPC23402
0.7419	Intermediate Similarity	NPC52472
0.7413	Intermediate Similarity	NPC202743
0.741	Intermediate Similarity	NPC8058
0.7407	Intermediate Similarity	NPC474874
0.7402	Intermediate Similarity	NPC188677
0.7379	Intermediate Similarity	NPC90431
0.7376	Intermediate Similarity	NPC478071
0.7376	Intermediate Similarity	NPC214246
0.7372	Intermediate Similarity	NPC90577
0.7372	Intermediate Similarity	NPC151237
0.7364	Intermediate Similarity	NPC234639
0.7344	Intermediate Similarity	NPC156648
0.7343	Intermediate Similarity	NPC139335
0.731	Intermediate Similarity	NPC311742
0.7308	Intermediate Similarity	NPC63345
0.7308	Intermediate Similarity	NPC21162
0.7308	Intermediate Similarity	NPC116842
0.7302	Intermediate Similarity	NPC304638
0.7299	Intermediate Similarity	NPC7830
0.7299	Intermediate Similarity	NPC42644
0.7293	Intermediate Similarity	NPC322197
0.7287	Intermediate Similarity	NPC281604
0.7287	Intermediate Similarity	NPC146096
0.728	Intermediate Similarity	NPC253746
0.7273	Intermediate Similarity	NPC109241
0.7266	Intermediate Similarity	NPC33402
0.7259	Intermediate Similarity	NPC94298
0.7259	Intermediate Similarity	NPC27633
0.7258	Intermediate Similarity	NPC260000
0.7254	Intermediate Similarity	NPC477300
0.7254	Intermediate Similarity	NPC64111
0.7254	Intermediate Similarity	NPC131684
0.7254	Intermediate Similarity	NPC194979
0.7252	Intermediate Similarity	NPC139946
0.725	Intermediate Similarity	NPC269383
0.725	Intermediate Similarity	NPC151030
0.7246	Intermediate Similarity	NPC296202
0.7241	Intermediate Similarity	NPC5310
0.7241	Intermediate Similarity	NPC4982
0.7241	Intermediate Similarity	NPC176814
0.7241	Intermediate Similarity	NPC68779
0.7241	Intermediate Similarity	NPC300776
0.7239	Intermediate Similarity	NPC471928
0.7239	Intermediate Similarity	NPC471925
0.7239	Intermediate Similarity	NPC325646
0.7239	Intermediate Similarity	NPC131192
0.7239	Intermediate Similarity	NPC471924
0.7239	Intermediate Similarity	NPC28951
0.7231	Intermediate Similarity	NPC471954
0.7231	Intermediate Similarity	NPC75272
0.7226	Intermediate Similarity	NPC470848
0.7226	Intermediate Similarity	NPC470849
0.7222	Intermediate Similarity	NPC66643
0.7218	Intermediate Similarity	NPC285350
0.7214	Intermediate Similarity	NPC49938
0.7214	Intermediate Similarity	NPC197832
0.7214	Intermediate Similarity	NPC88403
0.7211	Intermediate Similarity	NPC106688
0.7206	Intermediate Similarity	NPC263386
0.7206	Intermediate Similarity	NPC141791
0.7206	Intermediate Similarity	NPC42657
0.7203	Intermediate Similarity	NPC285361
0.7203	Intermediate Similarity	NPC2989
0.72	Intermediate Similarity	NPC171843
0.72	Intermediate Similarity	NPC280869
0.7194	Intermediate Similarity	NPC212541
0.7194	Intermediate Similarity	NPC306100
0.7188	Intermediate Similarity	NPC298401
0.7188	Intermediate Similarity	NPC13495
0.7185	Intermediate Similarity	NPC471926
0.7183	Intermediate Similarity	NPC219923
0.7183	Intermediate Similarity	NPC46192
0.7183	Intermediate Similarity	NPC167463
0.7181	Intermediate Similarity	NPC9218
0.7177	Intermediate Similarity	NPC473388
0.7176	Intermediate Similarity	NPC321252
0.7176	Intermediate Similarity	NPC252544
0.7174	Intermediate Similarity	NPC472271
0.7172	Intermediate Similarity	NPC155209
0.7172	Intermediate Similarity	NPC168799
0.7165	Intermediate Similarity	NPC291426
0.7165	Intermediate Similarity	NPC68269
0.7163	Intermediate Similarity	NPC204579
0.7163	Intermediate Similarity	NPC110211
0.7163	Intermediate Similarity	NPC90128
0.7163	Intermediate Similarity	NPC303680
0.7163	Intermediate Similarity	NPC179777
0.7163	Intermediate Similarity	NPC84076
0.7162	Intermediate Similarity	NPC148738
0.7162	Intermediate Similarity	NPC327612
0.7162	Intermediate Similarity	NPC73078
0.7162	Intermediate Similarity	NPC319870
0.716	Intermediate Similarity	NPC68850
0.7154	Intermediate Similarity	NPC17525
0.7153	Intermediate Similarity	NPC233282
0.7153	Intermediate Similarity	NPC318799
0.7153	Intermediate Similarity	NPC108553
0.7153	Intermediate Similarity	NPC198388
0.7153	Intermediate Similarity	NPC72977
0.7153	Intermediate Similarity	NPC478121
0.7143	Intermediate Similarity	NPC223616
0.7143	Intermediate Similarity	NPC221798
0.7143	Intermediate Similarity	NPC184219
0.7143	Intermediate Similarity	NPC246177
0.7143	Intermediate Similarity	NPC317045
0.7143	Intermediate Similarity	NPC213414
0.7143	Intermediate Similarity	NPC473696
0.7133	Intermediate Similarity	NPC208536
0.7133	Intermediate Similarity	NPC241354
0.7132	Intermediate Similarity	NPC1065
0.7132	Intermediate Similarity	NPC474890
0.7132	Intermediate Similarity	NPC161943
0.7132	Intermediate Similarity	NPC135464
0.7132	Intermediate Similarity	NPC273282
0.7132	Intermediate Similarity	NPC92623
0.7132	Intermediate Similarity	NPC113457
0.7132	Intermediate Similarity	NPC328694
0.7123	Intermediate Similarity	NPC194970
0.7123	Intermediate Similarity	NPC106406
0.7123	Intermediate Similarity	NPC248150
0.7122	Intermediate Similarity	NPC46634
0.7122	Intermediate Similarity	NPC132518
0.7122	Intermediate Similarity	NPC67300
0.7122	Intermediate Similarity	NPC27198
0.7122	Intermediate Similarity	NPC68167
0.7122	Intermediate Similarity	NPC121168
0.7122	Intermediate Similarity	NPC477151
0.7121	Intermediate Similarity	NPC177576
0.712	Intermediate Similarity	NPC201967
0.7117	Intermediate Similarity	NPC227778
0.7115	Intermediate Similarity	NPC282294
0.7113	Intermediate Similarity	NPC122359
0.7113	Intermediate Similarity	NPC276466
0.7113	Intermediate Similarity	NPC123228
0.7113	Intermediate Similarity	NPC5018
0.7113	Intermediate Similarity	NPC123722
0.7113	Intermediate Similarity	NPC151167
0.7113	Intermediate Similarity	NPC159987
0.7113	Intermediate Similarity	NPC78061
0.7111	Intermediate Similarity	NPC277394
0.7111	Intermediate Similarity	NPC61062
0.7111	Intermediate Similarity	NPC33717
0.7111	Intermediate Similarity	NPC299252
0.7107	Intermediate Similarity	NPC472404
0.7103	Intermediate Similarity	NPC25581
0.7103	Intermediate Similarity	NPC61
0.7103	Intermediate Similarity	NPC18074
0.7103	Intermediate Similarity	NPC327204
0.7103	Intermediate Similarity	NPC5419
0.7103	Intermediate Similarity	NPC323379
0.7101	Intermediate Similarity	NPC241001
0.7101	Intermediate Similarity	NPC164852
0.7099	Intermediate Similarity	NPC259554
0.7099	Intermediate Similarity	NPC470081
0.7099	Intermediate Similarity	NPC95172
0.7097	Intermediate Similarity	NPC26244
0.7092	Intermediate Similarity	NPC4164

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC30390 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	205
0.1-0.2	944
0.2-0.3	1076
0.3-0.4	2563
0.4-0.5	2397
0.5-0.6	1501
0.6-0.7	439
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
0.8271	Intermediate Similarity	NPD454	Approved
0.8207	Intermediate Similarity	NPD2370	Clinical (unspecified phase)
0.7786	Intermediate Similarity	NPD1184	Approved
0.7708	Intermediate Similarity	NPD5958	Discontinued
0.7586	Intermediate Similarity	NPD4534	Discontinued
0.7551	Intermediate Similarity	NPD2354	Approved
0.7464	Intermediate Similarity	NPD2797	Approved
0.7419	Intermediate Similarity	NPD8438	Clinical (unspecified phase)
0.7397	Intermediate Similarity	NPD2353	Approved
0.7397	Intermediate Similarity	NPD2355	Clinical (unspecified phase)
0.7315	Intermediate Similarity	NPD3887	Approved
0.731	Intermediate Similarity	NPD4978	Clinical (unspecified phase)
0.7299	Intermediate Similarity	NPD1535	Discovery
0.7259	Intermediate Similarity	NPD9545	Approved
0.7259	Intermediate Similarity	NPD1894	Discontinued
0.7246	Intermediate Similarity	NPD1481	Phase 2
0.7244	Intermediate Similarity	NPD5909	Discontinued
0.7239	Intermediate Similarity	NPD694	Clinical (unspecified phase)
0.7203	Intermediate Similarity	NPD3268	Approved
0.7203	Intermediate Similarity	NPD3764	Approved
0.7154	Intermediate Similarity	NPD2933	Approved
0.7154	Intermediate Similarity	NPD2934	Approved
0.7115	Intermediate Similarity	NPD958	Approved
0.7101	Intermediate Similarity	NPD3847	Discontinued
0.7097	Intermediate Similarity	NPD2859	Approved
0.7097	Intermediate Similarity	NPD2860	Approved
0.7095	Intermediate Similarity	NPD1501	Clinical (unspecified phase)
0.709	Intermediate Similarity	NPD1476	Clinical (unspecified phase)
0.7089	Intermediate Similarity	NPD2379	Clinical (unspecified phase)
0.7063	Intermediate Similarity	NPD3020	Approved
0.7055	Intermediate Similarity	NPD6355	Discontinued
0.7032	Intermediate Similarity	NPD957	Approved
0.7027	Intermediate Similarity	NPD2799	Discontinued
0.7021	Intermediate Similarity	NPD1283	Approved
0.7	Intermediate Similarity	NPD3134	Approved
0.7	Intermediate Similarity	NPD1608	Approved
0.6985	Remote Similarity	NPD9493	Approved
0.698	Remote Similarity	NPD2935	Discontinued
0.6972	Remote Similarity	NPD1203	Approved
0.697	Remote Similarity	NPD5451	Approved
0.6966	Remote Similarity	NPD6798	Discontinued
0.6966	Remote Similarity	NPD6859	Clinical (unspecified phase)
0.6947	Remote Similarity	NPD9265	Clinical (unspecified phase)
0.6946	Remote Similarity	NPD7959	Clinical (unspecified phase)
0.6944	Remote Similarity	NPD2614	Approved
0.694	Remote Similarity	NPD5535	Approved
0.6918	Remote Similarity	NPD4062	Phase 3
0.6918	Remote Similarity	NPD6663	Approved
0.6918	Remote Similarity	NPD6233	Phase 2
0.6906	Remote Similarity	NPD3019	Approved
0.6906	Remote Similarity	NPD4589	Approved
0.6906	Remote Similarity	NPD2932	Approved
0.6905	Remote Similarity	NPD8014	Clinical (unspecified phase)
0.6889	Remote Similarity	NPD1241	Discontinued
0.6883	Remote Similarity	NPD6143	Clinical (unspecified phase)
0.6879	Remote Similarity	NPD4878	Approved
0.6875	Remote Similarity	NPD5736	Approved
0.6853	Remote Similarity	NPD987	Approved
0.6853	Remote Similarity	NPD3267	Approved
0.6853	Remote Similarity	NPD3266	Approved
0.6842	Remote Similarity	NPD7421	Clinical (unspecified phase)
0.6831	Remote Similarity	NPD4359	Approved
0.6809	Remote Similarity	NPD422	Phase 1
0.6809	Remote Similarity	NPD1281	Approved
0.6806	Remote Similarity	NPD2798	Approved
0.6797	Remote Similarity	NPD7003	Approved
0.6797	Remote Similarity	NPD4628	Phase 3
0.6797	Remote Similarity	NPD8166	Discontinued
0.6788	Remote Similarity	NPD256	Approved
0.6788	Remote Similarity	NPD255	Approved
0.6786	Remote Similarity	NPD17	Approved
0.6783	Remote Similarity	NPD3225	Approved
0.6783	Remote Similarity	NPD1876	Approved
0.6781	Remote Similarity	NPD2598	Clinical (unspecified phase)
0.6761	Remote Similarity	NPD9717	Approved
0.6761	Remote Similarity	NPD3972	Approved
0.675	Remote Similarity	NPD4018	Clinical (unspecified phase)
0.6736	Remote Similarity	NPD1164	Approved
0.6731	Remote Similarity	NPD1578	Phase 2
0.673	Remote Similarity	NPD4972	Discontinued
0.6715	Remote Similarity	NPD690	Clinical (unspecified phase)
0.6714	Remote Similarity	NPD5585	Approved
0.6713	Remote Similarity	NPD4379	Clinical (unspecified phase)
0.6712	Remote Similarity	NPD6832	Phase 2
0.6711	Remote Similarity	NPD2344	Approved
0.6708	Remote Similarity	NPD3465	Clinical (unspecified phase)
0.6707	Remote Similarity	NPD3365	Discontinued
0.6692	Remote Similarity	NPD1358	Approved
0.6689	Remote Similarity	NPD4308	Phase 3
0.6689	Remote Similarity	NPD8032	Phase 2
0.6688	Remote Similarity	NPD6273	Approved
0.6688	Remote Similarity	NPD3750	Approved
0.6687	Remote Similarity	NPD4424	Discontinued
0.6687	Remote Similarity	NPD3274	Phase 2
0.6667	Remote Similarity	NPD7041	Phase 2
0.6667	Remote Similarity	NPD7095	Approved
0.6667	Remote Similarity	NPD3097	Clinical (unspecified phase)
0.6667	Remote Similarity	NPD4626	Approved
0.6667	Remote Similarity	NPD5846	Approved
0.6667	Remote Similarity	NPD7040	Clinical (unspecified phase)
0.6667	Remote Similarity	NPD6516	Phase 2
0.6645	Remote Similarity	NPD4476	Approved
0.6645	Remote Similarity	NPD4477	Approved
0.6644	Remote Similarity	NPD1240	Approved
0.6644	Remote Similarity	NPD2979	Phase 3
0.6644	Remote Similarity	NPD4060	Phase 1
0.6642	Remote Similarity	NPD74	Approved
0.6642	Remote Similarity	NPD9266	Approved
0.6623	Remote Similarity	NPD4536	Approved
0.6623	Remote Similarity	NPD4538	Approved
0.6623	Remote Similarity	NPD4537	Clinical (unspecified phase)
0.6622	Remote Similarity	NPD2313	Discontinued
0.6619	Remote Similarity	NPD9568	Approved
0.6607	Remote Similarity	NPD3366	Approved
0.6603	Remote Similarity	NPD7440	Discontinued
0.6601	Remote Similarity	NPD2343	Clinical (unspecified phase)
0.6596	Remote Similarity	NPD1651	Approved
0.6593	Remote Similarity	NPD2067	Discontinued
0.6593	Remote Similarity	NPD3021	Approved
0.6593	Remote Similarity	NPD3022	Approved
0.6581	Remote Similarity	NPD4109	Clinical (unspecified phase)
0.6581	Remote Similarity	NPD4110	Phase 3
0.6579	Remote Similarity	NPD7033	Discontinued
0.6579	Remote Similarity	NPD5588	Approved
0.6575	Remote Similarity	NPD5647	Approved
0.6573	Remote Similarity	NPD6312	Discontinued
0.6567	Remote Similarity	NPD9264	Approved
0.6567	Remote Similarity	NPD9263	Approved
0.6567	Remote Similarity	NPD9267	Approved
0.6558	Remote Similarity	NPD970	Clinical (unspecified phase)
0.6556	Remote Similarity	NPD1607	Approved
0.6554	Remote Similarity	NPD5163	Phase 2
0.6552	Remote Similarity	NPD1888	Phase 1
0.6538	Remote Similarity	NPD2066	Phase 3
0.6538	Remote Similarity	NPD2309	Approved
0.6538	Remote Similarity	NPD6190	Approved
0.6538	Remote Similarity	NPD1238	Approved
0.6536	Remote Similarity	NPD1538	Phase 1
0.6536	Remote Similarity	NPD1519	Approved
0.6536	Remote Similarity	NPD1537	Approved
0.6528	Remote Similarity	NPD1157	Approved
0.6516	Remote Similarity	NPD2976	Clinical (unspecified phase)
0.6503	Remote Similarity	NPD3496	Discontinued
0.6497	Remote Similarity	NPD5058	Phase 3
0.6493	Remote Similarity	NPD968	Approved
0.6484	Remote Similarity	NPD1432	Clinical (unspecified phase)
0.6479	Remote Similarity	NPD5691	Approved
0.6479	Remote Similarity	NPD4196	Clinical (unspecified phase)
0.6478	Remote Similarity	NPD3364	Phase 3
0.6475	Remote Similarity	NPD2629	Approved
0.6474	Remote Similarity	NPD6398	Clinical (unspecified phase)
0.6471	Remote Similarity	NPD5960	Phase 3
0.646	Remote Similarity	NPD3769	Discontinued
0.646	Remote Similarity	NPD7458	Discontinued
0.646	Remote Similarity	NPD3455	Phase 2
0.6456	Remote Similarity	NPD6799	Approved
0.6454	Remote Similarity	NPD5536	Phase 2
0.6452	Remote Similarity	NPD7596	Clinical (unspecified phase)
0.645	Remote Similarity	NPD2403	Approved
0.6438	Remote Similarity	NPD196	Phase 1
0.6434	Remote Similarity	NPD1778	Approved
0.6429	Remote Similarity	NPD2531	Phase 2
0.6429	Remote Similarity	NPD1551	Phase 2
0.6429	Remote Similarity	NPD1522	Approved
0.6429	Remote Similarity	NPD2438	Suspended
0.6429	Remote Similarity	NPD1523	Approved
0.6424	Remote Similarity	NPD4140	Approved
0.6424	Remote Similarity	NPD4307	Phase 2
0.6423	Remote Similarity	NPD2181	Clinical (unspecified phase)
0.6423	Remote Similarity	NPD111	Approved
0.6418	Remote Similarity	NPD9697	Approved
0.6415	Remote Similarity	NPD4378	Clinical (unspecified phase)
0.6408	Remote Similarity	NPD1759	Phase 1
0.6406	Remote Similarity	NPD5122	Clinical (unspecified phase)
0.6405	Remote Similarity	NPD7097	Phase 1
0.6405	Remote Similarity	NPD1536	Approved
0.6397	Remote Similarity	NPD2684	Approved
0.6397	Remote Similarity	NPD6831	Clinical (unspecified phase)
0.6395	Remote Similarity	NPD6362	Approved
0.6392	Remote Similarity	NPD6815	Approved
0.6391	Remote Similarity	NPD1931	Clinical (unspecified phase)
0.6391	Remote Similarity	NPD6647	Phase 2
0.6391	Remote Similarity	NPD1929	Approved
0.6391	Remote Similarity	NPD9500	Approved
0.6391	Remote Similarity	NPD1930	Approved
0.6389	Remote Similarity	NPD3026	Approved
0.6389	Remote Similarity	NPD4879	Approved
0.6389	Remote Similarity	NPD3023	Approved
0.6387	Remote Similarity	NPD6800	Clinical (unspecified phase)
0.6387	Remote Similarity	NPD1550	Clinical (unspecified phase)
0.6387	Remote Similarity	NPD7611	Approved
0.6387	Remote Similarity	NPD1552	Clinical (unspecified phase)
0.6387	Remote Similarity	NPD2346	Discontinued
0.6387	Remote Similarity	NPD7266	Discontinued
0.6382	Remote Similarity	NPD4622	Approved
0.6382	Remote Similarity	NPD4618	Approved
0.6382	Remote Similarity	NPD4340	Discontinued
0.6382	Remote Similarity	NPD230	Phase 1
0.638	Remote Similarity	NPD7411	Suspended
0.6375	Remote Similarity	NPD1940	Clinical (unspecified phase)

Structure

CID30390 OpenBabel06191715362D 25 27 0 0 0 0 0 0 0 0999 V2000 0.2738 3.0485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9680 2.6884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2360 -1.6644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2415 -1.7689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6428 -0.7509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6537 -0.9599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0550 0.0582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7026 1.4945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5686 0.9945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4727 0.7626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8366 -0.0055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9706 1.4945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0169 2.3794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0605 -0.0464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8366 0.9945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4781 0.6581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7026 -0.5055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5686 -0.0055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1045 0.9945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8090 1.4013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9781 -0.2079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7026 -1.5055 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -4.4347 -0.5055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3849 -1.1215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 2 13 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 5 7 2 0 0 0 0 6 14 2 0 0 0 0 7 14 1 0 0 0 0 8 9 2 0 0 0 0 8 15 1 0 0 0 0 9 18 1 0 0 0 0 10 14 1 0 0 0 0 10 16 1 0 0 0 0 11 15 2 0 0 0 0 11 17 1 0 0 0 0 12 15 1 0 0 0 0 12 19 2 0 0 0 0 13 20 1 0 0 0 0 16 20 2 0 0 0 0 16 21 1 0 0 0 0 17 18 2 0 0 0 0 17 22 1 0 0 0 0 18 23 1 0 0 0 0 19 20 1 0 0 0 0 19 25 1 0 0 0 0 21 24 2 0 0 0 0 21 25 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	5468143
ChEMBL	CHEMBL1972163
ZINC

Physicochemical Properties

Molecular Weight:	354.10
ALogP:	1.3196
MLogP:	3.33
XLogP:	6.934
# Rotatable Bonds:	8
Polar Surface Area:	46.53
# H-Bond Aceptor:	2
# H-Bond Donor:	1
# Rings:	3
# Heavy Atoms:	25

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