NPASS Natural Product

Natural Product: NPC320287

Natural Product ID:	NPC320287
Common Name:	Permethrin
IUPAC Name:	(3-phenoxyphenyl)methyl 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate
Synonyms:	Elimite; Lyclear; Lythrin; NIX; Permethrin
Molecular Formula:	C21H20Cl2O3
Standard InCHIKey:	RLLPVAHGXHCWKJ-UHFFFAOYSA-N
Standard InCHI:	InChI=1S/C21H20Cl2O3/c1-21(2)17(12-18(22)23)19(21)20(24)25-13-14-7-6-10-16(11-14)26-15-8-4-3-5-9-15/h3-12,17,19H,13H2,1-2H3
Canonical SMILES:	ClC(=CC1C(C1(C)C)C(=O)OCc1cccc(c1)Oc1ccccc1)Cl
First Find Year:
Max Developmental Stage:
Synthetic Gene Cluster:	;

Species Source

Organism ID	Organism Name	Taxonomy Level	Family	SuperKingdom	Isolation Part	Collection Location	Collection Time	Reference
NPO5241	Myristica fragrans	Species	Myristicaceae	Eukaryota				TCM_Taiwan*

Biological Activity

Activity Type	# Activity
AC50	1
EC50	2
LD50	4
Others	12
Potency	49

Activity Type	# Activity
Individual Protein	26
Organism	13
Others	29

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT2	Others	Unspecified		LD50	=	0.14	ug	18006308
NPT2	Others	Unspecified		Activity	=	-100	%	18232639
NPT2	Others	Unspecified		Survival	=	0	%	18232639
NPT2	Others	Unspecified		Survival	=	96	%	18232639
NPT1328	Organism	Culex quinquefasciatus	Culex quinquefasciatus	LC50	=	0.005	ppm	18570364
NPT1328	Organism	Culex quinquefasciatus	Culex quinquefasciatus	LC50	=	0.16	ppm	18570364
NPT483	Individual Protein	Prelamin-A/C	Homo sapiens	Potency	=	22387.2	nM	PubChem BioAssay data set
NPT50	Individual Protein	Tyrosyl-DNA phosphodiesterase 1	Homo sapiens	Potency	=	5623.4	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency	=	9200	nM	PubChem BioAssay data set
NPT864	Individual Protein	Lethal(3)malignant brain tumor-like protein 1	Homo sapiens	Potency	=	14125.4	nM	PubChem BioAssay data set
NPT524	Individual Protein	Serine-protein kinase ATM	Homo sapiens	Potency	=	39810.7	nM	PubChem BioAssay data set
NPT532	Individual Protein	Lysine-specific demethylase 4A	Homo sapiens	Potency		56234.1	nM	PubChem BioAssay data set
NPT5	Individual Protein	Histone-lysine N-methyltransferase, H3 lysine-9 specific 3	Homo sapiens	Potency		39810.7	nM	PubChem BioAssay data set
NPT5	Individual Protein	Histone-lysine N-methyltransferase, H3 lysine-9 specific 3	Homo sapiens	Potency		31622.8	nM	PubChem BioAssay data set
NPT63	Individual Protein	Bromodomain adjacent to zinc finger domain protein 2B	Homo sapiens	Potency		11220.2	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		AC50	>	420000	nM	PubChem BioAssay data set
NPT546	Individual Protein	Retinoid X receptor alpha	Homo sapiens	Potency		44668.4	nM	PubChem BioAssay data set
NPT135	Individual Protein	Chromobox protein homolog 1	Homo sapiens	Potency		56234.1	nM	PubChem BioAssay data set
NPT6	Organism	Plasmodium falciparum	Plasmodium falciparum	Potency		9528.3	nM	PubChem BioAssay data set
NPT540	Individual Protein	Bile acid receptor FXR	Homo sapiens	Potency		19952.6	nM	PubChem BioAssay data set
NPT249	Individual Protein	Glucocorticoid receptor	Homo sapiens	Potency		4466.8	nM	PubChem BioAssay data set
NPT46	Individual Protein	Thyroid hormone receptor beta-1	Homo sapiens	Potency		7.1	nM	PubChem BioAssay data set
NPT46	Individual Protein	Thyroid hormone receptor beta-1	Homo sapiens	Potency		3.2	nM	PubChem BioAssay data set
NPT6	Organism	Plasmodium falciparum	Plasmodium falciparum	Potency		16944.1	nM	PubChem BioAssay data set
NPT6	Organism	Plasmodium falciparum	Plasmodium falciparum	Potency		18526	nM	PubChem BioAssay data set
NPT198	Individual Protein	Vitamin D receptor	Homo sapiens	Potency		1.4	nM	PubChem BioAssay data set
NPT10	Individual Protein	Geminin	Homo sapiens	Potency		5.2	nM	PubChem BioAssay data set
NPT155	Individual Protein	Aryl hydrocarbon receptor	Homo sapiens	Potency		44668.4	nM	PubChem BioAssay data set
NPT152	Individual Protein	Nuclear factor erythroid 2-related factor 2	Homo sapiens	Potency		54482.7	nM	PubChem BioAssay data set
NPT152	Individual Protein	Nuclear factor erythroid 2-related factor 2	Homo sapiens	Potency		30637.9	nM	PubChem BioAssay data set
NPT152	Individual Protein	Nuclear factor erythroid 2-related factor 2	Homo sapiens	Potency		68589.6	nM	PubChem BioAssay data set
NPT10	Individual Protein	Geminin	Homo sapiens	Potency		46109.1	nM	PubChem BioAssay data set
NPT158	Individual Protein	Nuclear receptor subfamily 1 group I member 2	Rattus norvegicus	Potency		39810.7	nM	PubChem BioAssay data set
NPT158	Individual Protein	Nuclear receptor subfamily 1 group I member 2	Rattus norvegicus	Potency		19952.6	nM	PubChem BioAssay data set
NPT158	Individual Protein	Nuclear receptor subfamily 1 group I member 2	Rattus norvegicus	Potency		44668.4	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Ratio EC50	=	0.47		10.1584/jpestics.G08-26
NPT5733	Organism	Cheumatopsyche	Cheumatopsyche	EC50	=	0.000205	ug/ml	10.1584/jpestics.G08-26
NPT5734	Organism	Daphnia magna	Daphnia magna	EC50	=	0.0006	ug/ml	10.1584/jpestics.G08-26
NPT4386	Organism	Tetragonisca angustula	Tetragonisca angustula	LD80	=	0.002	mg/kg	21953851
NPT4387	Organism	Solenopsis saevissima	Solenopsis saevissima	LD80	=	1.458	mg/kg	21953851
NPT4388	Organism	Tuta absoluta	Tuta absoluta	LD80	=	2.57	mg/kg	21953851
NPT2	Others	Unspecified		Ratio	=	0.065		21953851
NPT2	Others	Unspecified		Ratio	=	0.00042		21953851
NPT4386	Organism	Tetragonisca angustula	Tetragonisca angustula	LD50	=	0.0003	mg/kg	21953851
NPT4387	Organism	Solenopsis saevissima	Solenopsis saevissima	LD50	=	0.046	mg/kg	21953851
NPT4388	Organism	Tuta absoluta	Tuta absoluta	LD50	=	0.71	mg/kg	21953851
NPT2	Others	Unspecified		Potency		43277.1	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency		76411.3	nM	PubChem BioAssay data set
NPT535	Individual Protein	Parathyroid hormone receptor	Homo sapiens	Potency		22387.2	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency		39810.7	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency		28183.8	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency		50118.7	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency		7943.3	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency		44668.4	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency		15246.1	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency		30637.9	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency		34376.2	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency		6682.4	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency		21872.4	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency		33491.5	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency		33780.1	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency		54095.1	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 NPC320287 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	196
0.1-0.2	1172
0.2-0.3	2316
0.3-0.4	6603
0.4-0.5	7150
0.5-0.6	4601
0.6-0.7	8325
0.7-0.8	521
0.8-0.85	4
0.85-0.9	0
0.9-0.95	0
0.95-1	1

Similarity Score	Similarity Level	Natural Product ID
0.9569	High Similarity	NPC234956
0.8047	Intermediate Similarity	NPC476332
0.8047	Intermediate Similarity	NPC473464
0.8031	Intermediate Similarity	NPC322569
0.8	Intermediate Similarity	NPC170749
0.7937	Intermediate Similarity	NPC159916
0.7899	Intermediate Similarity	NPC473855
0.7899	Intermediate Similarity	NPC473393
0.7886	Intermediate Similarity	NPC280760
0.7879	Intermediate Similarity	NPC223807
0.7874	Intermediate Similarity	NPC98748
0.7846	Intermediate Similarity	NPC279379
0.7846	Intermediate Similarity	NPC470887
0.784	Intermediate Similarity	NPC51345
0.7836	Intermediate Similarity	NPC475102
0.7803	Intermediate Similarity	NPC128321
0.7795	Intermediate Similarity	NPC293424
0.7769	Intermediate Similarity	NPC157473
0.7769	Intermediate Similarity	NPC151530
0.776	Intermediate Similarity	NPC87563
0.7687	Intermediate Similarity	NPC176590
0.7686	Intermediate Similarity	NPC176971
0.7686	Intermediate Similarity	NPC326447
0.7669	Intermediate Similarity	NPC329272
0.7667	Intermediate Similarity	NPC283546
0.7656	Intermediate Similarity	NPC277460
0.7643	Intermediate Similarity	NPC265335
0.7642	Intermediate Similarity	NPC259554
0.7638	Intermediate Similarity	NPC316062
0.763	Intermediate Similarity	NPC241354
0.7627	Intermediate Similarity	NPC471576
0.7615	Intermediate Similarity	NPC471877
0.7609	Intermediate Similarity	NPC37065
0.7603	Intermediate Similarity	NPC128730
0.7603	Intermediate Similarity	NPC238115
0.7597	Intermediate Similarity	NPC264976
0.7589	Intermediate Similarity	NPC476191
0.7578	Intermediate Similarity	NPC45104
0.7574	Intermediate Similarity	NPC249425
0.7563	Intermediate Similarity	NPC107101
0.7561	Intermediate Similarity	NPC291837
0.7557	Intermediate Similarity	NPC475839
0.7556	Intermediate Similarity	NPC210674
0.7554	Intermediate Similarity	NPC281169
0.7554	Intermediate Similarity	NPC291119
0.7541	Intermediate Similarity	NPC326801
0.7541	Intermediate Similarity	NPC1065
0.754	Intermediate Similarity	NPC109241
0.754	Intermediate Similarity	NPC303522
0.7538	Intermediate Similarity	NPC473290
0.7538	Intermediate Similarity	NPC193193
0.7538	Intermediate Similarity	NPC31314
0.7538	Intermediate Similarity	NPC471504
0.7536	Intermediate Similarity	NPC205915
0.752	Intermediate Similarity	NPC233238
0.752	Intermediate Similarity	NPC245552
0.7519	Intermediate Similarity	NPC75432
0.7519	Intermediate Similarity	NPC111088
0.7519	Intermediate Similarity	NPC474237
0.7518	Intermediate Similarity	NPC258073
0.75	Intermediate Similarity	NPC9341
0.75	Intermediate Similarity	NPC474599
0.75	Intermediate Similarity	NPC33717
0.75	Intermediate Similarity	NPC307425
0.75	Intermediate Similarity	NPC476748
0.75	Intermediate Similarity	NPC81067
0.75	Intermediate Similarity	NPC188997
0.75	Intermediate Similarity	NPC149545
0.75	Intermediate Similarity	NPC90577
0.7482	Intermediate Similarity	NPC176814
0.7482	Intermediate Similarity	NPC68779
0.7482	Intermediate Similarity	NPC300776
0.7482	Intermediate Similarity	NPC4982
0.7482	Intermediate Similarity	NPC5310
0.7481	Intermediate Similarity	NPC267064
0.7481	Intermediate Similarity	NPC95034
0.7481	Intermediate Similarity	NPC142087
0.7465	Intermediate Similarity	NPC79372
0.7464	Intermediate Similarity	NPC317601
0.7464	Intermediate Similarity	NPC329427
0.7462	Intermediate Similarity	NPC43435
0.7459	Intermediate Similarity	NPC288760
0.7445	Intermediate Similarity	NPC307042
0.7445	Intermediate Similarity	NPC476399
0.7445	Intermediate Similarity	NPC79184
0.7444	Intermediate Similarity	NPC21238
0.7444	Intermediate Similarity	NPC261992
0.7442	Intermediate Similarity	NPC325295
0.7442	Intermediate Similarity	NPC471503
0.7442	Intermediate Similarity	NPC240664
0.7442	Intermediate Similarity	NPC76308
0.7442	Intermediate Similarity	NPC471498
0.744	Intermediate Similarity	NPC88868
0.744	Intermediate Similarity	NPC231251
0.744	Intermediate Similarity	NPC25067
0.7438	Intermediate Similarity	NPC179686
0.7431	Intermediate Similarity	NPC470273
0.7429	Intermediate Similarity	NPC211386
0.7429	Intermediate Similarity	NPC113295
0.7429	Intermediate Similarity	NPC161856
0.7429	Intermediate Similarity	NPC51087
0.7424	Intermediate Similarity	NPC476165
0.7422	Intermediate Similarity	NPC322358
0.7405	Intermediate Similarity	NPC474874
0.7405	Intermediate Similarity	NPC168050
0.7402	Intermediate Similarity	NPC190212
0.7402	Intermediate Similarity	NPC165106
0.7395	Intermediate Similarity	NPC470161
0.7394	Intermediate Similarity	NPC307883
0.7388	Intermediate Similarity	NPC140521
0.7388	Intermediate Similarity	NPC89630
0.7377	Intermediate Similarity	NPC241224
0.7377	Intermediate Similarity	NPC109637
0.7376	Intermediate Similarity	NPC307401
0.7376	Intermediate Similarity	NPC92932
0.7372	Intermediate Similarity	NPC238309
0.736	Intermediate Similarity	NPC234639
0.7357	Intermediate Similarity	NPC19890
0.7357	Intermediate Similarity	NPC27394
0.7357	Intermediate Similarity	NPC110958
0.7355	Intermediate Similarity	NPC300166
0.7353	Intermediate Similarity	NPC298884
0.7348	Intermediate Similarity	NPC212559
0.7343	Intermediate Similarity	NPC76312
0.7339	Intermediate Similarity	NPC35543
0.7339	Intermediate Similarity	NPC258171
0.7333	Intermediate Similarity	NPC280767
0.7333	Intermediate Similarity	NPC289459
0.7333	Intermediate Similarity	NPC249836
0.7329	Intermediate Similarity	NPC290038
0.7328	Intermediate Similarity	NPC37858
0.7328	Intermediate Similarity	NPC471449
0.7324	Intermediate Similarity	NPC281780
0.7324	Intermediate Similarity	NPC471542
0.7323	Intermediate Similarity	NPC474920
0.7323	Intermediate Similarity	NPC26615
0.7319	Intermediate Similarity	NPC2989
0.7319	Intermediate Similarity	NPC475880
0.7317	Intermediate Similarity	NPC139891
0.7317	Intermediate Similarity	NPC470393
0.7308	Intermediate Similarity	NPC185738
0.7305	Intermediate Similarity	NPC475011
0.7305	Intermediate Similarity	NPC44245
0.7305	Intermediate Similarity	NPC72796
0.7302	Intermediate Similarity	NPC475852
0.7302	Intermediate Similarity	NPC2682
0.7299	Intermediate Similarity	NPC474623
0.7299	Intermediate Similarity	NPC474651
0.7299	Intermediate Similarity	NPC226661
0.7295	Intermediate Similarity	NPC192596
0.7295	Intermediate Similarity	NPC298224
0.7295	Intermediate Similarity	NPC24327
0.7295	Intermediate Similarity	NPC12870
0.7293	Intermediate Similarity	NPC312713
0.7293	Intermediate Similarity	NPC126935
0.7293	Intermediate Similarity	NPC65933
0.7293	Intermediate Similarity	NPC216929
0.7293	Intermediate Similarity	NPC57268
0.7293	Intermediate Similarity	NPC172676
0.7292	Intermediate Similarity	NPC155552
0.7292	Intermediate Similarity	NPC100675
0.7292	Intermediate Similarity	NPC472523
0.7288	Intermediate Similarity	NPC471581
0.7287	Intermediate Similarity	NPC296526
0.7287	Intermediate Similarity	NPC475815
0.7287	Intermediate Similarity	NPC47194
0.7287	Intermediate Similarity	NPC473264
0.7287	Intermediate Similarity	NPC283169
0.7287	Intermediate Similarity	NPC301321
0.728	Intermediate Similarity	NPC201959
0.728	Intermediate Similarity	NPC75440
0.728	Intermediate Similarity	NPC245115
0.7279	Intermediate Similarity	NPC474476
0.7279	Intermediate Similarity	NPC101894
0.7279	Intermediate Similarity	NPC120225
0.7279	Intermediate Similarity	NPC213552
0.7273	Intermediate Similarity	NPC14177
0.7273	Intermediate Similarity	NPC202260
0.7259	Intermediate Similarity	NPC470163
0.7259	Intermediate Similarity	NPC248557
0.7259	Intermediate Similarity	NPC78446
0.7259	Intermediate Similarity	NPC470162
0.7259	Intermediate Similarity	NPC221798
0.7259	Intermediate Similarity	NPC246704
0.7258	Intermediate Similarity	NPC30416
0.7254	Intermediate Similarity	NPC90431
0.7254	Intermediate Similarity	NPC474610
0.7252	Intermediate Similarity	NPC474040
0.7252	Intermediate Similarity	NPC205502
0.7248	Intermediate Similarity	NPC95526
0.7246	Intermediate Similarity	NPC206028
0.7244	Intermediate Similarity	NPC275627
0.7244	Intermediate Similarity	NPC54626
0.7241	Intermediate Similarity	NPC46180
0.7239	Intermediate Similarity	NPC16922
0.7239	Intermediate Similarity	NPC302211
0.7236	Intermediate Similarity	NPC12987
0.7236	Intermediate Similarity	NPC474603
0.7236	Intermediate Similarity	NPC108875
0.7236	Intermediate Similarity	NPC38209

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC320287 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	208
0.1-0.2	975
0.2-0.3	1156
0.3-0.4	2510
0.4-0.5	2205
0.5-0.6	1375
0.6-0.7	627
0.7-0.8	100
0.8-0.85	2
0.85-0.9	1
0.9-0.95	0
0.95-1	2

Similarity Score	Similarity Level	Drug ID	Developmental Stage
1.0	High Similarity	NPD4359	Approved
0.9569	High Similarity	NPD5585	Approved
0.8605	High Similarity	NPD4870	Approved
0.8095	Intermediate Similarity	NPD17	Approved
0.8095	Intermediate Similarity	NPD1778	Approved
0.7907	Intermediate Similarity	NPD1608	Approved
0.7778	Intermediate Similarity	NPD8032	Phase 2
0.7761	Intermediate Similarity	NPD7095	Approved
0.7752	Intermediate Similarity	NPD3496	Discontinued
0.7742	Intermediate Similarity	NPD5535	Approved
0.7727	Intermediate Similarity	NPD987	Approved
0.7721	Intermediate Similarity	NPD2979	Phase 3
0.7714	Intermediate Similarity	NPD4534	Discontinued
0.7692	Intermediate Similarity	NPD1281	Approved
0.7686	Intermediate Similarity	NPD3134	Approved
0.7656	Intermediate Similarity	NPD1894	Discontinued
0.7594	Intermediate Similarity	NPD2797	Approved
0.7591	Intermediate Similarity	NPD4140	Approved
0.7557	Intermediate Similarity	NPD1611	Approved
0.7536	Intermediate Similarity	NPD6355	Discontinued
0.7536	Intermediate Similarity	NPD4622	Approved
0.7536	Intermediate Similarity	NPD1899	Clinical (unspecified phase)
0.7536	Intermediate Similarity	NPD4618	Approved
0.7519	Intermediate Similarity	NPD1283	Approved
0.7483	Intermediate Similarity	NPD4109	Clinical (unspecified phase)
0.7483	Intermediate Similarity	NPD4110	Phase 3
0.7482	Intermediate Similarity	NPD6653	Approved
0.7465	Intermediate Similarity	NPD5958	Discontinued
0.7464	Intermediate Similarity	NPD4060	Phase 1
0.7463	Intermediate Similarity	NPD3267	Approved
0.7463	Intermediate Similarity	NPD3266	Approved
0.7462	Intermediate Similarity	NPD1651	Approved
0.7462	Intermediate Similarity	NPD5691	Approved
0.7444	Intermediate Similarity	NPD5327	Phase 3
0.7429	Intermediate Similarity	NPD5689	Approved
0.7429	Intermediate Similarity	NPD5688	Approved
0.7426	Intermediate Similarity	NPD6832	Phase 2
0.7402	Intermediate Similarity	NPD1241	Discontinued
0.7402	Intermediate Similarity	NPD5283	Phase 1
0.7398	Intermediate Similarity	NPD968	Approved
0.7391	Intermediate Similarity	NPD6233	Phase 2
0.7365	Intermediate Similarity	NPD2370	Clinical (unspecified phase)
0.736	Intermediate Similarity	NPD5451	Approved
0.7353	Intermediate Similarity	NPD2237	Approved
0.7348	Intermediate Similarity	NPD3847	Discontinued
0.7347	Intermediate Similarity	NPD6273	Approved
0.7339	Intermediate Similarity	NPD1358	Approved
0.7333	Intermediate Similarity	NPD6362	Approved
0.7324	Intermediate Similarity	NPD2531	Phase 2
0.7324	Intermediate Similarity	NPD1501	Clinical (unspecified phase)
0.7324	Intermediate Similarity	NPD2438	Suspended
0.7324	Intermediate Similarity	NPD6032	Approved
0.7319	Intermediate Similarity	NPD6798	Discontinued
0.7319	Intermediate Similarity	NPD3268	Approved
0.7319	Intermediate Similarity	NPD6859	Clinical (unspecified phase)
0.7317	Intermediate Similarity	NPD9697	Approved
0.7308	Intermediate Similarity	NPD5536	Phase 2
0.7293	Intermediate Similarity	NPD1535	Discovery
0.7287	Intermediate Similarity	NPD7157	Approved
0.7279	Intermediate Similarity	NPD7004	Clinical (unspecified phase)
0.7266	Intermediate Similarity	NPD4062	Phase 3
0.7241	Intermediate Similarity	NPD4628	Phase 3
0.7239	Intermediate Similarity	NPD3972	Approved
0.7239	Intermediate Similarity	NPD1481	Phase 2
0.7203	Intermediate Similarity	NPD4477	Approved
0.7203	Intermediate Similarity	NPD4476	Approved
0.7174	Intermediate Similarity	NPD2614	Approved
0.7163	Intermediate Similarity	NPD1184	Approved
0.7154	Intermediate Similarity	NPD6671	Approved
0.7153	Intermediate Similarity	NPD2343	Clinical (unspecified phase)
0.7143	Intermediate Similarity	NPD2423	Clinical (unspecified phase)
0.7143	Intermediate Similarity	NPD4626	Approved
0.7143	Intermediate Similarity	NPD5846	Approved
0.7143	Intermediate Similarity	NPD2684	Approved
0.7143	Intermediate Similarity	NPD6516	Phase 2
0.7133	Intermediate Similarity	NPD2799	Discontinued
0.7132	Intermediate Similarity	NPD3225	Approved
0.7122	Intermediate Similarity	NPD2598	Clinical (unspecified phase)
0.7122	Intermediate Similarity	NPD5163	Phase 2
0.7121	Intermediate Similarity	NPD1182	Approved
0.7111	Intermediate Similarity	NPD2235	Phase 2
0.7111	Intermediate Similarity	NPD2231	Phase 2
0.7103	Intermediate Similarity	NPD2897	Discontinued
0.7101	Intermediate Similarity	NPD2861	Phase 2
0.7101	Intermediate Similarity	NPD454	Approved
0.7101	Intermediate Similarity	NPD5736	Approved
0.7075	Intermediate Similarity	NPD3887	Approved
0.7068	Intermediate Similarity	NPD3443	Approved
0.7068	Intermediate Similarity	NPD3445	Approved
0.7068	Intermediate Similarity	NPD3444	Approved
0.7063	Intermediate Similarity	NPD7097	Phase 1
0.7045	Intermediate Similarity	NPD7644	Approved
0.7039	Intermediate Similarity	NPD4972	Discontinued
0.7037	Intermediate Similarity	NPD1547	Clinical (unspecified phase)
0.7034	Intermediate Similarity	NPD2346	Discontinued
0.7034	Intermediate Similarity	NPD5762	Approved
0.7034	Intermediate Similarity	NPD6800	Clinical (unspecified phase)
0.7034	Intermediate Similarity	NPD5763	Approved
0.7029	Intermediate Similarity	NPD2798	Approved
0.7029	Intermediate Similarity	NPD1019	Discontinued
0.7029	Intermediate Similarity	NPD5647	Approved
0.7023	Intermediate Similarity	NPD2557	Approved
0.7014	Intermediate Similarity	NPD7033	Discontinued
0.7007	Intermediate Similarity	NPD1876	Approved
0.7007	Intermediate Similarity	NPD6398	Clinical (unspecified phase)
0.6993	Remote Similarity	NPD3274	Phase 2
0.6985	Remote Similarity	NPD1840	Phase 2
0.6972	Remote Similarity	NPD4307	Phase 2
0.697	Remote Similarity	NPD3596	Phase 2
0.6966	Remote Similarity	NPD6099	Approved
0.6966	Remote Similarity	NPD6100	Approved
0.6966	Remote Similarity	NPD2935	Discontinued
0.6957	Remote Similarity	NPD4098	Discontinued
0.6957	Remote Similarity	NPD1203	Approved
0.695	Remote Similarity	NPD3374	Clinical (unspecified phase)
0.695	Remote Similarity	NPD2313	Discontinued
0.694	Remote Similarity	NPD6382	Discontinued
0.6934	Remote Similarity	NPD6542	Approved
0.6934	Remote Similarity	NPD6540	Phase 3
0.6934	Remote Similarity	NPD6543	Approved
0.6934	Remote Similarity	NPD6539	Approved
0.6934	Remote Similarity	NPD4379	Clinical (unspecified phase)
0.6933	Remote Similarity	NPD1578	Phase 2
0.6929	Remote Similarity	NPD290	Approved
0.6923	Remote Similarity	NPD5735	Approved
0.6923	Remote Similarity	NPD769	Approved
0.6923	Remote Similarity	NPD1933	Approved
0.6923	Remote Similarity	NPD7843	Approved
0.6918	Remote Similarity	NPD6003	Clinical (unspecified phase)
0.6918	Remote Similarity	NPD6005	Phase 3
0.6918	Remote Similarity	NPD6006	Clinical (unspecified phase)
0.6918	Remote Similarity	NPD6004	Phase 3
0.6918	Remote Similarity	NPD2355	Clinical (unspecified phase)
0.6918	Remote Similarity	NPD2353	Approved
0.6918	Remote Similarity	NPD6002	Phase 3
0.6906	Remote Similarity	NPD6584	Phase 3
0.6901	Remote Similarity	NPD6663	Approved
0.6894	Remote Similarity	NPD709	Approved
0.6892	Remote Similarity	NPD7976	Clinical (unspecified phase)
0.6892	Remote Similarity	NPD7003	Approved
0.6889	Remote Similarity	NPD2107	Clinical (unspecified phase)
0.6884	Remote Similarity	NPD6541	Approved
0.6884	Remote Similarity	NPD6538	Approved
0.6875	Remote Similarity	NPD4579	Clinical (unspecified phase)
0.6875	Remote Similarity	NPD6353	Approved
0.6866	Remote Similarity	NPD6581	Approved
0.6866	Remote Similarity	NPD6580	Approved
0.6863	Remote Similarity	NPD5808	Clinical (unspecified phase)
0.6861	Remote Similarity	NPD2232	Approved
0.6861	Remote Similarity	NPD2230	Approved
0.6861	Remote Similarity	NPD9717	Approved
0.6861	Remote Similarity	NPD2233	Approved
0.6857	Remote Similarity	NPD1712	Approved
0.6831	Remote Similarity	NPD6410	Clinical (unspecified phase)
0.6831	Remote Similarity	NPD6812	Clinical (unspecified phase)
0.6831	Remote Similarity	NPD7985	Registered
0.6824	Remote Similarity	NPD7421	Clinical (unspecified phase)
0.6821	Remote Similarity	NPD7446	Clinical (unspecified phase)
0.6815	Remote Similarity	NPD3049	Approved
0.6815	Remote Similarity	NPD6830	Clinical (unspecified phase)
0.6812	Remote Similarity	NPD3600	Clinical (unspecified phase)
0.6809	Remote Similarity	NPD4908	Phase 1
0.6809	Remote Similarity	NPD5752	Clinical (unspecified phase)
0.6806	Remote Similarity	NPD447	Suspended
0.6803	Remote Similarity	NPD5865	Clinical (unspecified phase)
0.68	Remote Similarity	NPD6667	Approved
0.68	Remote Similarity	NPD6666	Approved
0.6794	Remote Similarity	NPD821	Approved
0.6788	Remote Similarity	NPD1610	Phase 2
0.6788	Remote Similarity	NPD3705	Approved
0.6786	Remote Similarity	NPD4624	Approved
0.6786	Remote Similarity	NPD7905	Discontinued
0.6781	Remote Similarity	NPD4308	Phase 3
0.6781	Remote Similarity	NPD3748	Approved
0.6781	Remote Similarity	NPD5960	Phase 3
0.6776	Remote Similarity	NPD1940	Clinical (unspecified phase)
0.6776	Remote Similarity	NPD7314	Clinical (unspecified phase)
0.6774	Remote Similarity	NPD7615	Clinical (unspecified phase)
0.6774	Remote Similarity	NPD1238	Approved
0.6767	Remote Similarity	NPD6387	Discontinued
0.6765	Remote Similarity	NPD2554	Approved
0.6765	Remote Similarity	NPD2556	Approved
0.6759	Remote Similarity	NPD2653	Approved
0.6757	Remote Similarity	NPD7596	Clinical (unspecified phase)
0.675	Remote Similarity	NPD8127	Discontinued
0.6735	Remote Similarity	NPD1551	Phase 2
0.6735	Remote Similarity	NPD2796	Approved
0.6733	Remote Similarity	NPD2354	Approved
0.6732	Remote Similarity	NPD5699	Approved
0.6732	Remote Similarity	NPD7427	Discontinued
0.6713	Remote Similarity	NPD4907	Clinical (unspecified phase)
0.6713	Remote Similarity	NPD411	Approved
0.6712	Remote Similarity	NPD4536	Approved
0.6712	Remote Similarity	NPD4537	Clinical (unspecified phase)
0.6712	Remote Similarity	NPD4538	Approved
0.6711	Remote Similarity	NPD2976	Clinical (unspecified phase)
0.671	Remote Similarity	NPD6599	Discontinued
0.6693	Remote Similarity	NPD5909	Discontinued
0.6692	Remote Similarity	NPD2629	Approved
0.6691	Remote Similarity	NPD6582	Phase 2

Structure

CID320287 OpenBabel06191716152D 26 28 0 0 1 0 0 0 0 0999 V2000 -1.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5000 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7942 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9282 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7942 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4641 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5981 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0622 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9282 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3301 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4641 -1.0000 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 2.7321 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5981 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0622 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3301 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5000 -0.8660 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.3660 -2.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 0.0000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.8660 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3660 -3.3660 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.2321 -1.8660 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.8660 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7321 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1962 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 2 21 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 4 8 1 0 0 0 0 5 9 2 0 0 0 0 6 7 2 0 0 0 0 6 10 1 0 0 0 0 7 14 1 0 0 0 0 8 15 2 0 0 0 0 9 15 1 0 0 0 0 10 16 2 0 0 0 0 11 14 2 0 0 0 0 11 16 1 0 0 0 0 12 17 1 0 0 0 0 12 18 2 0 0 0 0 13 14 1 0 0 0 0 13 25 1 0 0 0 0 15 26 1 0 0 0 0 16 26 1 0 0 0 0 17 19 1 0 0 0 0 17 21 1 0 0 0 0 18 22 1 0 0 0 0 18 23 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 20 24 2 0 0 0 0 20 25 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	40326
ChEMBL	CHEMBL1525
ZINC

Physicochemical Properties

Molecular Weight:	390.08
ALogP:	1.8533
MLogP:	3.22
XLogP:	7.313
# Rotatable Bonds:	11
Polar Surface Area:	35.53
# H-Bond Aceptor:	2
# H-Bond Donor:	0
# Rings:	3
# Heavy Atoms:	26

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