NPASS Natural Product

Natural Product: NPC95977

Natural Product ID:	NPC95977
Common Name:	Pramoxine
IUPAC Name:	4-[3-(4-butoxyphenoxy)propyl]morpholine
Synonyms:	Pramocaine; Pramoxine
Molecular Formula:	C17H27NO3
Standard InCHIKey:	DQKXQSGTHWVTAD-UHFFFAOYSA-N
Standard InCHI:	InChI=1S/C17H27NO3/c1-2-3-12-20-16-5-7-17(8-6-16)21-13-4-9-18-10-14-19-15-11-18/h5-8H,2-4,9-15H2,1H3
Canonical SMILES:	CCCCOc1ccc(cc1)OCCCN1CCOCC1
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
NPO236	Sojae semen nigrum	NA	NA	NA				TCMSP*

Biological Activity

Activity Type	# Activity
AC50	1
IC50	3
Ki	2
Others	3
Potency	3

Activity Type	# Activity
Individual Protein	7
Others	2
Protein Family	3

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT1774	Protein Family	Sodium channel alpha subunits; brain (Types I, II, III)	Homo sapiens	IC50	=	21200	nM	2579237
NPT1774	Protein Family	Sodium channel alpha subunits; brain (Types I, II, III)	Homo sapiens	Inhibition	=	29.7	%	2579237
NPT1774	Protein Family	Sodium channel alpha subunits; brain (Types I, II, III)	Homo sapiens	Inhibition	=	86.3	%	2579237
NPT612	Individual Protein	Canalicular multispecific organic anion transporter 1	Homo sapiens	Activity	=	69	%	18457386
NPT94	Individual Protein	Aldehyde dehydrogenase 1A1	Homo sapiens	Potency	=	8912.5	nM	PubChem BioAssay data set
NPT282	Individual Protein	MAP kinase ERK2	Homo sapiens	Potency	=	15848.9	nM	PubChem BioAssay data set
NPT208	Individual Protein	Cytochrome P450 1A2	Homo sapiens	AC50	=	12589.25	nM	PubChem BioAssay data set
NPT444	Individual Protein	Ubiquitin carboxyl-terminal hydrolase 1	Homo sapiens	Potency		39810.7	nM	PubChem BioAssay data set
NPT296	Individual Protein	Sigma opioid receptor	Homo sapiens	IC50	=	121	nM	DrugMatrix in vitro pharmacology data
NPT296	Individual Protein	Sigma opioid receptor	Homo sapiens	Ki	=	51	nM	DrugMatrix in vitro pharmacology data
NPT2	Others	Unspecified		IC50	=	1029	nM	DrugMatrix in vitro pharmacology data
NPT2	Others	Unspecified		Ki	=	633	nM	DrugMatrix in vitro pharmacology data

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 NPC95977 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	96
0.1-0.2	1850
0.2-0.3	8556
0.3-0.4	5286
0.4-0.5	7367
0.5-0.6	6933
0.6-0.7	776
0.7-0.8	24
0.8-0.85	0
0.85-0.9	1
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Natural Product ID
0.8922	High Similarity	NPC313918
0.7745	Intermediate Similarity	NPC23837
0.7581	Intermediate Similarity	NPC255253
0.7404	Intermediate Similarity	NPC125306
0.7323	Intermediate Similarity	NPC141739
0.7323	Intermediate Similarity	NPC320242
0.7323	Intermediate Similarity	NPC136112
0.7315	Intermediate Similarity	NPC318429
0.729	Intermediate Similarity	NPC157213
0.7255	Intermediate Similarity	NPC124576
0.7241	Intermediate Similarity	NPC41594
0.7231	Intermediate Similarity	NPC195902
0.7177	Intermediate Similarity	NPC256369
0.7168	Intermediate Similarity	NPC307039
0.7168	Intermediate Similarity	NPC471576
0.7165	Intermediate Similarity	NPC328267
0.7155	Intermediate Similarity	NPC17537
0.713	Intermediate Similarity	NPC192596
0.7121	Intermediate Similarity	NPC274732
0.712	Intermediate Similarity	NPC321133
0.712	Intermediate Similarity	NPC263835
0.7077	Intermediate Similarity	NPC280736
0.7043	Intermediate Similarity	NPC51633
0.7037	Intermediate Similarity	NPC206876
0.7009	Intermediate Similarity	NPC470393
0.6992	Remote Similarity	NPC97870
0.6992	Remote Similarity	NPC307123
0.6992	Remote Similarity	NPC247018
0.6985	Remote Similarity	NPC318591
0.6985	Remote Similarity	NPC231163
0.6967	Remote Similarity	NPC26524
0.6957	Remote Similarity	NPC316797
0.6949	Remote Similarity	NPC326801
0.6949	Remote Similarity	NPC473653
0.6942	Remote Similarity	NPC166837
0.6942	Remote Similarity	NPC266932
0.6923	Remote Similarity	NPC38079
0.6923	Remote Similarity	NPC108875
0.6917	Remote Similarity	NPC70485
0.6911	Remote Similarity	NPC142319
0.6909	Remote Similarity	NPC302546
0.6894	Remote Similarity	NPC283079
0.6891	Remote Similarity	NPC157473
0.6891	Remote Similarity	NPC151530
0.6885	Remote Similarity	NPC474920
0.6884	Remote Similarity	NPC83289
0.6884	Remote Similarity	NPC189724
0.6884	Remote Similarity	NPC212850
0.687	Remote Similarity	NPC132725
0.687	Remote Similarity	NPC314803
0.6864	Remote Similarity	NPC473855
0.6855	Remote Similarity	NPC303370
0.6833	Remote Similarity	NPC146530
0.6825	Remote Similarity	NPC283616
0.6818	Remote Similarity	NPC47422
0.6814	Remote Similarity	NPC471581
0.6807	Remote Similarity	NPC176971
0.6783	Remote Similarity	NPC95755
0.678	Remote Similarity	NPC283546
0.6772	Remote Similarity	NPC32152
0.6769	Remote Similarity	NPC211218
0.6757	Remote Similarity	NPC177844
0.6757	Remote Similarity	NPC99886
0.6757	Remote Similarity	NPC259134
0.6757	Remote Similarity	NPC8002
0.675	Remote Similarity	NPC258171
0.6742	Remote Similarity	NPC218323
0.6741	Remote Similarity	NPC471953
0.6741	Remote Similarity	NPC474200
0.6723	Remote Similarity	NPC473393
0.6723	Remote Similarity	NPC42383
0.6723	Remote Similarity	NPC128730
0.672	Remote Similarity	NPC473718
0.6719	Remote Similarity	NPC232295
0.6719	Remote Similarity	NPC474131
0.6696	Remote Similarity	NPC71853
0.6694	Remote Similarity	NPC309982
0.6692	Remote Similarity	NPC172403
0.669	Remote Similarity	NPC247298
0.6667	Remote Similarity	NPC154256
0.6667	Remote Similarity	NPC290470
0.6667	Remote Similarity	NPC326447
0.6667	Remote Similarity	NPC107101
0.6667	Remote Similarity	NPC69539
0.6667	Remote Similarity	NPC469808
0.6667	Remote Similarity	NPC110131
0.6667	Remote Similarity	NPC318357
0.6667	Remote Similarity	NPC258992
0.6667	Remote Similarity	NPC307682
0.6643	Remote Similarity	NPC189908
0.6641	Remote Similarity	NPC51341
0.6641	Remote Similarity	NPC43275
0.6641	Remote Similarity	NPC217277
0.664	Remote Similarity	NPC87563
0.6639	Remote Similarity	NPC24777
0.6638	Remote Similarity	NPC470161
0.6637	Remote Similarity	NPC321956
0.6615	Remote Similarity	NPC475839
0.6615	Remote Similarity	NPC57751
0.6615	Remote Similarity	NPC476165
0.6614	Remote Similarity	NPC238176
0.6614	Remote Similarity	NPC187993
0.6614	Remote Similarity	NPC323948
0.6613	Remote Similarity	NPC165646
0.6612	Remote Similarity	NPC194034
0.6612	Remote Similarity	NPC233320
0.6612	Remote Similarity	NPC186469
0.661	Remote Similarity	NPC307425
0.6597	Remote Similarity	NPC245974
0.6593	Remote Similarity	NPC196026
0.6593	Remote Similarity	NPC160193
0.6593	Remote Similarity	NPC200555
0.6591	Remote Similarity	NPC95733
0.6591	Remote Similarity	NPC62101
0.6591	Remote Similarity	NPC25817
0.6587	Remote Similarity	NPC301321
0.6585	Remote Similarity	NPC46844
0.6583	Remote Similarity	NPC8302
0.6581	Remote Similarity	NPC100870
0.6569	Remote Similarity	NPC325568
0.6565	Remote Similarity	NPC204535
0.6565	Remote Similarity	NPC46586
0.6562	Remote Similarity	NPC228907
0.6557	Remote Similarity	NPC97811
0.6557	Remote Similarity	NPC291837
0.6557	Remote Similarity	NPC241549
0.6555	Remote Similarity	NPC179686
0.6541	Remote Similarity	NPC29477
0.6538	Remote Similarity	NPC473875
0.6538	Remote Similarity	NPC212559
0.6538	Remote Similarity	NPC83279
0.6538	Remote Similarity	NPC276195
0.6532	Remote Similarity	NPC55300
0.6529	Remote Similarity	NPC113457
0.6529	Remote Similarity	NPC30416
0.6528	Remote Similarity	NPC110337
0.6525	Remote Similarity	NPC13755
0.6522	Remote Similarity	NPC114325
0.6522	Remote Similarity	NPC29650
0.6522	Remote Similarity	NPC16649
0.6515	Remote Similarity	NPC217854
0.6515	Remote Similarity	NPC307020
0.6515	Remote Similarity	NPC474130
0.6512	Remote Similarity	NPC172253
0.6512	Remote Similarity	NPC471449
0.6512	Remote Similarity	NPC59561
0.6512	Remote Similarity	NPC234956
0.651	Remote Similarity	NPC315257
0.6504	Remote Similarity	NPC474272
0.6504	Remote Similarity	NPC149545
0.65	Remote Similarity	NPC109637
0.65	Remote Similarity	NPC470707
0.6496	Remote Similarity	NPC175298
0.6496	Remote Similarity	NPC118419
0.6496	Remote Similarity	NPC470392
0.6493	Remote Similarity	NPC298845
0.6484	Remote Similarity	NPC9248
0.6483	Remote Similarity	NPC473934
0.6483	Remote Similarity	NPC296085
0.6479	Remote Similarity	NPC204546
0.6475	Remote Similarity	NPC138365
0.6475	Remote Similarity	NPC73883
0.6475	Remote Similarity	NPC35543
0.6475	Remote Similarity	NPC255817
0.6475	Remote Similarity	NPC277042
0.6475	Remote Similarity	NPC136330
0.6475	Remote Similarity	NPC251454
0.6475	Remote Similarity	NPC196609
0.6475	Remote Similarity	NPC180647
0.6475	Remote Similarity	NPC230698
0.6475	Remote Similarity	NPC205178
0.6471	Remote Similarity	NPC84325
0.6471	Remote Similarity	NPC300166
0.6466	Remote Similarity	NPC221090
0.6466	Remote Similarity	NPC147896
0.6466	Remote Similarity	NPC276962
0.6466	Remote Similarity	NPC190086
0.6466	Remote Similarity	NPC74478
0.6462	Remote Similarity	NPC53596
0.6462	Remote Similarity	NPC160120
0.6462	Remote Similarity	NPC471308
0.6462	Remote Similarity	NPC17388
0.6462	Remote Similarity	NPC41801
0.6462	Remote Similarity	NPC289330
0.6457	Remote Similarity	NPC283169
0.6454	Remote Similarity	NPC231572
0.6452	Remote Similarity	NPC88868
0.6452	Remote Similarity	NPC25067
0.6452	Remote Similarity	NPC231251
0.6452	Remote Similarity	NPC106141
0.6449	Remote Similarity	NPC266425
0.6447	Remote Similarity	NPC329640
0.6446	Remote Similarity	NPC475269
0.6446	Remote Similarity	NPC238115
0.6444	Remote Similarity	NPC37074
0.6444	Remote Similarity	NPC198798
0.6439	Remote Similarity	NPC471315
0.6439	Remote Similarity	NPC152722
0.6439	Remote Similarity	NPC471314
0.6439	Remote Similarity	NPC298486

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC95977 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	102
0.1-0.2	645
0.2-0.3	1573
0.3-0.4	2505
0.4-0.5	2423
0.5-0.6	1362
0.6-0.7	425
0.7-0.8	111
0.8-0.85	9
0.85-0.9	4
0.9-0.95	0
0.95-1	2

Similarity Score	Similarity Level	Drug ID	Developmental Stage
1.0	High Similarity	NPD2673	Approved
1.0	High Similarity	NPD2671	Approved
0.8785	High Similarity	NPD5373	Approved
0.8785	High Similarity	NPD5374	Approved
0.8509	High Similarity	NPD1102	Approved
0.8509	High Similarity	NPD1103	Approved
0.8362	Intermediate Similarity	NPD6382	Discontinued
0.819	Intermediate Similarity	NPD1408	Clinical (unspecified phase)
0.8182	Intermediate Similarity	NPD4098	Discontinued
0.8103	Intermediate Similarity	NPD3596	Phase 2
0.8067	Intermediate Similarity	NPD3447	Discontinued
0.8051	Intermediate Similarity	NPD2594	Approved
0.8051	Intermediate Similarity	NPD2595	Approved
0.8049	Intermediate Similarity	NPD5266	Clinical (unspecified phase)
0.8017	Intermediate Similarity	NPD2557	Approved
0.7966	Intermediate Similarity	NPD7533	Approved
0.7966	Intermediate Similarity	NPD7534	Approved
0.7891	Intermediate Similarity	NPD2223	Approved
0.7891	Intermediate Similarity	NPD2224	Approved
0.7815	Intermediate Similarity	NPD6581	Approved
0.7815	Intermediate Similarity	NPD6580	Approved
0.7769	Intermediate Similarity	NPD155	Clinical (unspecified phase)
0.775	Intermediate Similarity	NPD1797	Approved
0.775	Intermediate Similarity	NPD6830	Clinical (unspecified phase)
0.775	Intermediate Similarity	NPD1798	Approved
0.7698	Intermediate Similarity	NPD3537	Clinical (unspecified phase)
0.7656	Intermediate Similarity	NPD3531	Approved
0.7656	Intermediate Similarity	NPD3532	Approved
0.7656	Intermediate Similarity	NPD3530	Approved
0.7581	Intermediate Similarity	NPD6583	Phase 3
0.7581	Intermediate Similarity	NPD6543	Approved
0.7581	Intermediate Similarity	NPD6582	Phase 2
0.7581	Intermediate Similarity	NPD6540	Phase 3
0.7581	Intermediate Similarity	NPD6539	Approved
0.7581	Intermediate Similarity	NPD6542	Approved
0.7578	Intermediate Similarity	NPD7294	Phase 1
0.754	Intermediate Similarity	NPD2987	Approved
0.754	Intermediate Similarity	NPD2990	Approved
0.754	Intermediate Similarity	NPD7018	Phase 2
0.748	Intermediate Similarity	NPD2237	Approved
0.7478	Intermediate Similarity	NPD9624	Approved
0.7459	Intermediate Similarity	NPD3443	Approved
0.7459	Intermediate Similarity	NPD3444	Approved
0.7459	Intermediate Similarity	NPD3445	Approved
0.7444	Intermediate Similarity	NPD3454	Phase 3
0.7442	Intermediate Similarity	NPD3374	Clinical (unspecified phase)
0.7442	Intermediate Similarity	NPD1336	Approved
0.7424	Intermediate Similarity	NPD2200	Suspended
0.7405	Intermediate Similarity	NPD4622	Approved
0.7405	Intermediate Similarity	NPD4618	Approved
0.7402	Intermediate Similarity	NPD6584	Phase 3
0.7398	Intermediate Similarity	NPD2554	Approved
0.7398	Intermediate Similarity	NPD2556	Approved
0.7381	Intermediate Similarity	NPD6538	Approved
0.7381	Intermediate Similarity	NPD7258	Clinical (unspecified phase)
0.7381	Intermediate Similarity	NPD6541	Approved
0.7377	Intermediate Similarity	NPD2486	Discontinued
0.7344	Intermediate Similarity	NPD4993	Discontinued
0.7344	Intermediate Similarity	NPD2250	Discontinued
0.7323	Intermediate Similarity	NPD1794	Approved
0.7323	Intermediate Similarity	NPD1818	Approved
0.7323	Intermediate Similarity	NPD1819	Approved
0.7323	Intermediate Similarity	NPD1817	Approved
0.7323	Intermediate Similarity	NPD1820	Approved
0.7317	Intermediate Similarity	NPD3049	Approved
0.7315	Intermediate Similarity	NPD9365	Approved
0.7308	Intermediate Similarity	NPD3056	Clinical (unspecified phase)
0.7293	Intermediate Similarity	NPD5689	Approved
0.7293	Intermediate Similarity	NPD5688	Approved
0.729	Intermediate Similarity	NPD9295	Approved
0.7258	Intermediate Similarity	NPD1010	Approved
0.7231	Intermediate Similarity	NPD5746	Approved
0.7231	Intermediate Similarity	NPD3167	Approved
0.7231	Intermediate Similarity	NPD3165	Approved
0.7231	Intermediate Similarity	NPD3164	Approved
0.7231	Intermediate Similarity	NPD3179	Approved
0.7231	Intermediate Similarity	NPD3166	Approved
0.7231	Intermediate Similarity	NPD3180	Approved
0.72	Intermediate Similarity	NPD3294	Phase 2
0.7197	Intermediate Similarity	NPD3597	Clinical (unspecified phase)
0.7197	Intermediate Similarity	NPD3142	Approved
0.7197	Intermediate Similarity	NPD4101	Phase 1
0.7197	Intermediate Similarity	NPD3140	Approved
0.7185	Intermediate Similarity	NPD6032	Approved
0.7185	Intermediate Similarity	NPD1725	Approved
0.7174	Intermediate Similarity	NPD2945	Clinical (unspecified phase)
0.7165	Intermediate Similarity	NPD2428	Approved
0.7165	Intermediate Similarity	NPD2429	Approved
0.7164	Intermediate Similarity	NPD7119	Phase 2
0.7154	Intermediate Similarity	NPD5752	Clinical (unspecified phase)
0.7153	Intermediate Similarity	NPD4487	Clinical (unspecified phase)
0.7153	Intermediate Similarity	NPD5289	Phase 2
0.7143	Intermediate Similarity	NPD1341	Clinical (unspecified phase)
0.7132	Intermediate Similarity	NPD7030	Discontinued
0.7122	Intermediate Similarity	NPD5756	Phase 2
0.7121	Intermediate Similarity	NPD5745	Approved
0.7121	Intermediate Similarity	NPD7265	Discontinued
0.7121	Intermediate Similarity	NPD3163	Approved
0.7121	Intermediate Similarity	NPD481	Phase 3
0.7121	Intermediate Similarity	NPD3162	Approved
0.712	Intermediate Similarity	NPD2667	Approved
0.712	Intermediate Similarity	NPD2423	Clinical (unspecified phase)
0.712	Intermediate Similarity	NPD2668	Approved
0.7111	Intermediate Similarity	NPD2164	Clinical (unspecified phase)
0.7107	Intermediate Similarity	NPD592	Approved
0.7107	Intermediate Similarity	NPD594	Approved
0.7099	Intermediate Similarity	NPD5163	Phase 2
0.7099	Intermediate Similarity	NPD6179	Discontinued
0.7094	Intermediate Similarity	NPD968	Approved
0.7094	Intermediate Similarity	NPD810	Approved
0.7094	Intermediate Similarity	NPD811	Approved
0.7094	Intermediate Similarity	NPD812	Approved
0.709	Intermediate Similarity	NPD3054	Approved
0.709	Intermediate Similarity	NPD3052	Approved
0.7087	Intermediate Similarity	NPD2232	Approved
0.7087	Intermediate Similarity	NPD2233	Approved
0.7087	Intermediate Similarity	NPD2230	Approved
0.7059	Intermediate Similarity	NPD3156	Discontinued
0.7054	Intermediate Similarity	NPD1770	Clinical (unspecified phase)
0.705	Intermediate Similarity	NPD3692	Discontinued
0.7043	Intermediate Similarity	NPD4188	Approved
0.7043	Intermediate Similarity	NPD4189	Approved
0.7031	Intermediate Similarity	NPD3685	Discontinued
0.7007	Intermediate Similarity	NPD3656	Approved
0.7007	Intermediate Similarity	NPD5865	Clinical (unspecified phase)
0.7	Intermediate Similarity	NPD5295	Discontinued
0.6992	Remote Similarity	NPD1423	Approved
0.6985	Remote Similarity	NPD2156	Approved
0.6985	Remote Similarity	NPD2154	Approved
0.6985	Remote Similarity	NPD2661	Clinical (unspecified phase)
0.6985	Remote Similarity	NPD3693	Clinical (unspecified phase)
0.6985	Remote Similarity	NPD6029	Clinical (unspecified phase)
0.6985	Remote Similarity	NPD6380	Phase 1
0.6985	Remote Similarity	NPD3152	Clinical (unspecified phase)
0.6985	Remote Similarity	NPD6028	Clinical (unspecified phase)
0.6985	Remote Similarity	NPD2155	Approved
0.6978	Remote Similarity	NPD7466	Approved
0.6972	Remote Similarity	NPD6090	Discontinued
0.6957	Remote Similarity	NPD2552	Approved
0.6957	Remote Similarity	NPD2558	Approved
0.6957	Remote Similarity	NPD2550	Approved
0.6957	Remote Similarity	NPD2553	Approved
0.6957	Remote Similarity	NPD2549	Approved
0.6957	Remote Similarity	NPD2555	Approved
0.6953	Remote Similarity	NPD2235	Phase 2
0.6953	Remote Similarity	NPD2231	Phase 2
0.695	Remote Similarity	NPD7212	Phase 2
0.695	Remote Similarity	NPD7213	Phase 3
0.6949	Remote Similarity	NPD3526	Approved
0.6949	Remote Similarity	NPD3524	Approved
0.6947	Remote Similarity	NPD455	Discontinued
0.6934	Remote Similarity	NPD729	Discontinued
0.6923	Remote Similarity	NPD3827	Clinical (unspecified phase)
0.6901	Remote Similarity	NPD7447	Phase 1
0.6897	Remote Similarity	NPD291	Approved
0.6885	Remote Similarity	NPD821	Approved
0.6884	Remote Similarity	NPD5085	Clinical (unspecified phase)
0.6879	Remote Similarity	NPD3122	Phase 3
0.6875	Remote Similarity	NPD776	Approved
0.6866	Remote Similarity	NPD4475	Approved
0.6866	Remote Similarity	NPD4474	Approved
0.6866	Remote Similarity	NPD2245	Discovery
0.6861	Remote Similarity	NPD3260	Discontinued
0.6857	Remote Similarity	NPD2086	Clinical (unspecified phase)
0.6857	Remote Similarity	NPD2085	Suspended
0.6855	Remote Similarity	NPD6671	Approved
0.6835	Remote Similarity	NPD4149	Clinical (unspecified phase)
0.6835	Remote Similarity	NPD7037	Approved
0.6835	Remote Similarity	NPD2897	Discontinued
0.6833	Remote Similarity	NPD2684	Approved
0.6812	Remote Similarity	NPD3175	Clinical (unspecified phase)
0.6812	Remote Similarity	NPD2240	Approved
0.6812	Remote Similarity	NPD2239	Approved
0.6809	Remote Similarity	NPD2677	Approved
0.6809	Remote Similarity	NPD2586	Clinical (unspecified phase)
0.6794	Remote Similarity	NPD2082	Clinical (unspecified phase)
0.6794	Remote Similarity	NPD9549	Phase 2
0.6791	Remote Similarity	NPD6812	Clinical (unspecified phase)
0.6791	Remote Similarity	NPD5718	Phase 2
0.6786	Remote Similarity	NPD6364	Approved
0.6786	Remote Similarity	NPD4237	Approved
0.6786	Remote Similarity	NPD5062	Approved
0.6786	Remote Similarity	NPD4162	Approved
0.6786	Remote Similarity	NPD44	Approved
0.6786	Remote Similarity	NPD5061	Approved
0.6786	Remote Similarity	NPD4236	Phase 3
0.6783	Remote Similarity	NPD6419	Discontinued
0.6783	Remote Similarity	NPD1754	Clinical (unspecified phase)
0.678	Remote Similarity	NPD3048	Approved
0.678	Remote Similarity	NPD3046	Approved
0.678	Remote Similarity	NPD3047	Approved
0.6777	Remote Similarity	NPD556	Approved
0.6774	Remote Similarity	NPD595	Approved
0.6774	Remote Similarity	NPD593	Approved
0.6759	Remote Similarity	NPD4124	Clinical (unspecified phase)
0.6742	Remote Similarity	NPD7905	Discontinued
0.6714	Remote Similarity	NPD1372	Clinical (unspecified phase)
0.6713	Remote Similarity	NPD1774	Approved
0.6712	Remote Similarity	NPD8158	Clinical (unspecified phase)
0.6692	Remote Similarity	NPD2040	Clinical (unspecified phase)

Structure

CID95977 OpenBabel06191715432D 21 22 0 0 0 0 0 0 0 0999 V2000 -11.2583 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2583 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3923 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4641 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7942 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9282 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9282 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0622 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5981 -1.5000 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 -9.5263 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3301 -1.5000 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 -0.0000 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7942 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0622 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 -1.0000 0.0000 N 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 -8.6603 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1962 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 12 1 0 0 0 0 4 9 1 0 0 0 0 4 13 1 0 0 0 0 5 7 1 0 0 0 0 5 16 2 0 0 0 0 6 8 2 0 0 0 0 6 16 1 0 0 0 0 7 17 2 0 0 0 0 8 17 1 0 0 0 0 9 18 1 0 0 0 0 10 14 1 0 0 0 0 10 18 1 0 0 0 0 11 15 1 0 0 0 0 11 18 1 0 0 0 0 12 20 1 0 0 0 0 13 21 1 0 0 0 0 14 19 1 0 0 0 0 15 19 1 0 0 0 0 16 20 1 0 0 0 0 17 21 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	4886
ChEMBL	CHEMBL1198
ZINC

Physicochemical Properties

Molecular Weight:	293.20
ALogP:	-1.1806
MLogP:	2.89
XLogP:	3.069
# Rotatable Bonds:	10
Polar Surface Area:	30.93
# H-Bond Aceptor:	2
# H-Bond Donor:	0
# Rings:	2
# Heavy Atoms:	21

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