NPASS Natural Product

Natural Product: NPC315257

Natural Product ID:	NPC315257
Common Name:	Spiramide
IUPAC Name:	8-[3-(4-fluorophenoxy)propyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
Synonyms:	Fluroxyspiramine; R-5808; Spiramide
Molecular Formula:	C22H26FN3O2
Standard InCHIKey:	FJUKDAZEABGEIH-UHFFFAOYSA-N
Standard InCHI:	InChI=1S/C22H26FN3O2/c23-18-7-9-20(10-8-18)28-16-4-13-25-14-11-22(12-15-25)21(27)24-17-26(22)19-5-2-1-3-6-19/h1-3,5-10H,4,11-17H2,(H,24,27)
Canonical SMILES:	Fc1ccc(cc1)OCCCN1CCC2(CC1)C(=NCN2c1ccccc1)O
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
NPO6485.1	Spiraea japonica var. acuta	Varieties	Rosaceae	Eukaryota				TCMID*

Biological Activity

Activity Type	# Activity
AC50	5
EC50	1
IC50	10
Ki	5
Others	1
Potency	56

Activity Type	# Activity
Individual Protein	23
Organism	1
Others	52
Protein Family	2

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT288	Individual Protein	Serotonin 1a (5-HT1a) receptor	Rattus norvegicus	Ki	=	50	nM	8355253
NPT438	Individual Protein	Serotonin 2c (5-HT2c) receptor	Rattus norvegicus	Ki	=	4300	nM	8355253
NPT1777	Protein Family	Serotonin 2 (5-HT2) receptor	Rattus norvegicus	Ki	=	2	nM	8355253
NPT1777	Protein Family	Serotonin 2 (5-HT2) receptor	Rattus norvegicus	Ratio	=	2100		8355253
NPT5857	Individual Protein	Dopamine D1 receptor	Mus musculus	Ki	=	2530	nM	8355253
NPT243	Individual Protein	Dopamine D2 receptor	Homo sapiens	Ki	=	3	nM	8355253
NPT290	Individual Protein	Serotonin 2a (5-HT2a) receptor	Homo sapiens	IC50	=	0.3162	nM	11078195
NPT51	Individual Protein	Microtubule-associated protein tau	Homo sapiens	Potency	=	5011.9	nM	PubChem BioAssay data set
NPT150	Individual Protein	Anthrax lethal factor	Bacillus anthracis	Potency	=	7943.3	nM	PubChem BioAssay data set
NPT110	Individual Protein	Cytochrome P450 2D6	Homo sapiens	Potency	=	158.5	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency	=	39810.7	nM	PubChem BioAssay data set
NPT1139	Individual Protein	Arachidonate 15-lipoxygenase, type II	Homo sapiens	Potency		5011.9	nM	PubChem BioAssay data set
NPT208	Individual Protein	Cytochrome P450 1A2	Homo sapiens	AC50	=	39810.72	nM	PubChem BioAssay data set
NPT110	Individual Protein	Cytochrome P450 2D6	Homo sapiens	AC50	=	158.49	nM	PubChem BioAssay data set
NPT698	Individual Protein	Regulator of G-protein signaling 4	Homo sapiens	Potency		843.7	nM	PubChem BioAssay data set
NPT6	Organism	Plasmodium falciparum	Plasmodium falciparum	Potency		16944.1	nM	PubChem BioAssay data set
NPT444	Individual Protein	Ubiquitin carboxyl-terminal hydrolase 1	Homo sapiens	Potency		56234.1	nM	PubChem BioAssay data set
NPT445	Individual Protein	Peripheral myelin protein 22	Rattus norvegicus	Potency		22793.6	nM	PubChem BioAssay data set
NPT888	Individual Protein	78 kDa glucose-regulated protein	Homo sapiens	Potency		25118.9	nM	PubChem BioAssay data set
NPT888	Individual Protein	78 kDa glucose-regulated protein	Homo sapiens	Potency		12589.3	nM	PubChem BioAssay data set
NPT10	Individual Protein	Geminin	Homo sapiens	Potency		21136	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency		23109.3	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency		10000	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency		11885.6	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency		11220.2	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency		16360.1	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency		5308	nM	PubChem BioAssay data set
NPT153	Individual Protein	Androgen Receptor	Homo sapiens	Potency		21313.8	nM	PubChem BioAssay data set
NPT153	Individual Protein	Androgen Receptor	Homo sapiens	Potency		5955.7	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency		29847	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency		7497.8	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency		118.8	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency		26832.5	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency		8485.2	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency		15848.9	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency		23708.3	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency		22387.2	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency		13333.2	nM	PubChem BioAssay data set
NPT152	Individual Protein	Nuclear factor erythroid 2-related factor 2	Homo sapiens	Potency		2370.8	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency		3349.1	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency		16785.5	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency		29849.3	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency		3348.9	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency		50118.7	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency		10682.2	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency		10590.9	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency		14125.4	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency		17782.8	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency		5955.3	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency		11883.2	nM	PubChem BioAssay data set
NPT543	Individual Protein	Pregnane X receptor	Homo sapiens	EC50	=	31600	nM	20966043
NPT74	Individual Protein	Proto-oncogene c-JUN	Homo sapiens	Potency		9520.5	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		AC50		3162.3	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		IC50		2457.93	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		IC50		881.74	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency		14960.1	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		IC50		5332.76	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency		23710.1	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		IC50		8819.81	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency		2131.4	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		IC50		33330	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		IC50		4607.81	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		IC50		241.58	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency		21131.7	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		IC50		5305.1	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		IC50		11821	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 NPC315257 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	216
0.1-0.2	2276
0.2-0.3	9886
0.3-0.4	3333
0.4-0.5	11277
0.5-0.6	3516
0.6-0.7	385
0.7-0.8	0
0.8-0.85	0
0.85-0.9	0
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Natural Product ID
0.6879	Remote Similarity	NPC315498
0.6879	Remote Similarity	NPC230942
0.6871	Remote Similarity	NPC212850
0.6871	Remote Similarity	NPC83289
0.6871	Remote Similarity	NPC189724
0.6824	Remote Similarity	NPC264782
0.6807	Remote Similarity	NPC247298
0.6774	Remote Similarity	NPC315632
0.6747	Remote Similarity	NPC260601
0.6742	Remote Similarity	NPC85482
0.6726	Remote Similarity	NPC245974
0.672	Remote Similarity	NPC110741
0.6708	Remote Similarity	NPC184437
0.6705	Remote Similarity	NPC70172
0.6687	Remote Similarity	NPC168750
0.6686	Remote Similarity	NPC177404
0.6685	Remote Similarity	NPC283152
0.6667	Remote Similarity	NPC118776
0.6667	Remote Similarity	NPC314113
0.6649	Remote Similarity	NPC478049
0.6649	Remote Similarity	NPC314948
0.6648	Remote Similarity	NPC471648
0.6646	Remote Similarity	NPC274732
0.6627	Remote Similarity	NPC476462
0.6626	Remote Similarity	NPC237227
0.6609	Remote Similarity	NPC26850
0.6603	Remote Similarity	NPC471315
0.6603	Remote Similarity	NPC471314
0.6592	Remote Similarity	NPC477888
0.6564	Remote Similarity	NPC52801
0.6543	Remote Similarity	NPC471953
0.6538	Remote Similarity	NPC473432
0.6532	Remote Similarity	NPC26872
0.6522	Remote Similarity	NPC473987
0.6517	Remote Similarity	NPC24954
0.6516	Remote Similarity	NPC263835
0.651	Remote Similarity	NPC95977
0.6503	Remote Similarity	NPC297584
0.6486	Remote Similarity	NPC219963
0.6474	Remote Similarity	NPC28510
0.6474	Remote Similarity	NPC274026
0.6465	Remote Similarity	NPC472111
0.6457	Remote Similarity	NPC10730
0.6457	Remote Similarity	NPC10875
0.6455	Remote Similarity	NPC217294
0.6452	Remote Similarity	NPC469831
0.6452	Remote Similarity	NPC98197
0.6452	Remote Similarity	NPC256369
0.645	Remote Similarity	NPC469589
0.6448	Remote Similarity	NPC288943
0.6446	Remote Similarity	NPC476475
0.6425	Remote Similarity	NPC254700
0.6421	Remote Similarity	NPC174629
0.6417	Remote Similarity	NPC469829
0.6414	Remote Similarity	NPC47059
0.6414	Remote Similarity	NPC118832
0.6414	Remote Similarity	NPC165349
0.6414	Remote Similarity	NPC329708
0.6414	Remote Similarity	NPC274291
0.6414	Remote Similarity	NPC264166
0.641	Remote Similarity	NPC53596
0.641	Remote Similarity	NPC471308
0.641	Remote Similarity	NPC289330
0.641	Remote Similarity	NPC160120
0.641	Remote Similarity	NPC17388
0.6406	Remote Similarity	NPC203972
0.6404	Remote Similarity	NPC59028
0.6404	Remote Similarity	NPC92191
0.6402	Remote Similarity	NPC66083
0.6402	Remote Similarity	NPC469830
0.64	Remote Similarity	NPC133011
0.64	Remote Similarity	NPC82285
0.6398	Remote Similarity	NPC161887
0.6398	Remote Similarity	NPC266551
0.6396	Remote Similarity	NPC311357
0.638	Remote Similarity	NPC476685
0.638	Remote Similarity	NPC476687
0.638	Remote Similarity	NPC476689
0.6379	Remote Similarity	NPC219383
0.6379	Remote Similarity	NPC13397
0.6378	Remote Similarity	NPC316161
0.6374	Remote Similarity	NPC130926
0.6374	Remote Similarity	NPC9373
0.6373	Remote Similarity	NPC198401
0.6368	Remote Similarity	NPC477186
0.6354	Remote Similarity	NPC204970
0.6349	Remote Similarity	NPC276674
0.6349	Remote Similarity	NPC33902
0.6348	Remote Similarity	NPC306366
0.6348	Remote Similarity	NPC231862
0.6348	Remote Similarity	NPC235628
0.6348	Remote Similarity	NPC285635
0.6348	Remote Similarity	NPC93653
0.6346	Remote Similarity	NPC43275
0.6341	Remote Similarity	NPC208022
0.6335	Remote Similarity	NPC473569
0.6333	Remote Similarity	NPC471178
0.6333	Remote Similarity	NPC204179
0.6324	Remote Similarity	NPC471080
0.6324	Remote Similarity	NPC469592
0.6324	Remote Similarity	NPC478074
0.6324	Remote Similarity	NPC220560
0.6324	Remote Similarity	NPC285941
0.6323	Remote Similarity	NPC323948
0.6321	Remote Similarity	NPC79293
0.6321	Remote Similarity	NPC279401
0.6318	Remote Similarity	NPC475910
0.6313	Remote Similarity	NPC124542
0.6313	Remote Similarity	NPC471177
0.6313	Remote Similarity	NPC59779
0.6313	Remote Similarity	NPC57105
0.631	Remote Similarity	NPC204156
0.6306	Remote Similarity	NPC41801
0.6304	Remote Similarity	NPC312872
0.6302	Remote Similarity	NPC470483
0.6301	Remote Similarity	NPC476151
0.6298	Remote Similarity	NPC314861
0.6292	Remote Similarity	NPC84508
0.6286	Remote Similarity	NPC47672
0.6284	Remote Similarity	NPC14651
0.6284	Remote Similarity	NPC121658
0.6281	Remote Similarity	NPC473460
0.628	Remote Similarity	NPC313466
0.6279	Remote Similarity	NPC185838
0.6278	Remote Similarity	NPC118511
0.6273	Remote Similarity	NPC29477
0.6273	Remote Similarity	NPC476249
0.6271	Remote Similarity	NPC233926
0.6271	Remote Similarity	NPC112766
0.627	Remote Similarity	NPC290069
0.6269	Remote Similarity	NPC478075
0.6264	Remote Similarity	NPC1527
0.6258	Remote Similarity	NPC471321
0.6258	Remote Similarity	NPC471306
0.6258	Remote Similarity	NPC226662
0.6257	Remote Similarity	NPC222592
0.6257	Remote Similarity	NPC168486
0.6257	Remote Similarity	NPC70092
0.6256	Remote Similarity	NPC473053
0.625	Remote Similarity	NPC470484
0.625	Remote Similarity	NPC14339
0.6243	Remote Similarity	NPC299582
0.6242	Remote Similarity	NPC97870
0.6242	Remote Similarity	NPC247018
0.6242	Remote Similarity	NPC307123
0.6237	Remote Similarity	NPC470485
0.6237	Remote Similarity	NPC289786
0.6236	Remote Similarity	NPC469428
0.6236	Remote Similarity	NPC70549
0.6231	Remote Similarity	NPC474077
0.623	Remote Similarity	NPC232872
0.623	Remote Similarity	NPC476518
0.6229	Remote Similarity	NPC258222
0.6229	Remote Similarity	NPC103379
0.6229	Remote Similarity	NPC477565
0.6224	Remote Similarity	NPC472191
0.6223	Remote Similarity	NPC270301
0.6223	Remote Similarity	NPC288305
0.6223	Remote Similarity	NPC477891
0.6222	Remote Similarity	NPC133470
0.6222	Remote Similarity	NPC476231
0.6222	Remote Similarity	NPC191863
0.6222	Remote Similarity	NPC289776
0.6219	Remote Similarity	NPC471736
0.6212	Remote Similarity	NPC329747
0.6211	Remote Similarity	NPC62101
0.6211	Remote Similarity	NPC95733
0.6211	Remote Similarity	NPC42591
0.6207	Remote Similarity	NPC191376
0.6207	Remote Similarity	NPC179825
0.6207	Remote Similarity	NPC321505
0.6203	Remote Similarity	NPC472168
0.6203	Remote Similarity	NPC321133
0.6202	Remote Similarity	NPC469594
0.6201	Remote Similarity	NPC301163
0.62	Remote Similarity	NPC76327
0.6198	Remote Similarity	NPC320088
0.6196	Remote Similarity	NPC172403
0.6196	Remote Similarity	NPC258773
0.6194	Remote Similarity	NPC303370
0.6188	Remote Similarity	NPC198160
0.6186	Remote Similarity	NPC473004
0.6185	Remote Similarity	NPC473769
0.6181	Remote Similarity	NPC214368
0.6178	Remote Similarity	NPC262725
0.6178	Remote Similarity	NPC204385
0.6176	Remote Similarity	NPC314682
0.6173	Remote Similarity	NPC250476
0.6171	Remote Similarity	NPC246587
0.6171	Remote Similarity	NPC135538
0.6171	Remote Similarity	NPC147390
0.6171	Remote Similarity	NPC476571
0.6171	Remote Similarity	NPC428
0.6171	Remote Similarity	NPC24233
0.617	Remote Similarity	NPC287588
0.6169	Remote Similarity	NPC473422
0.6168	Remote Similarity	NPC29650
0.6166	Remote Similarity	NPC474904
0.6166	Remote Similarity	NPC474059
0.6163	Remote Similarity	NPC470403

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC315257 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	156
0.1-0.2	556
0.2-0.3	1070
0.3-0.4	891
0.4-0.5	2806
0.5-0.6	2808
0.6-0.7	805
0.7-0.8	69
0.8-0.85	0
0.85-0.9	0
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.7901	Intermediate Similarity	NPD6060	Clinical (unspecified phase)
0.7692	Intermediate Similarity	NPD5078	Clinical (unspecified phase)
0.7669	Intermediate Similarity	NPD4201	Clinical (unspecified phase)
0.7561	Intermediate Similarity	NPD4255	Phase 1
0.7546	Intermediate Similarity	NPD6357	Discontinued
0.7543	Intermediate Similarity	NPD7877	Suspended
0.7456	Intermediate Similarity	NPD4943	Phase 2
0.7456	Intermediate Similarity	NPD4944	Phase 2
0.7421	Intermediate Similarity	NPD44	Approved
0.7421	Intermediate Similarity	NPD6364	Approved
0.7412	Intermediate Similarity	NPD6379	Discontinued
0.7399	Intermediate Similarity	NPD4020	Clinical (unspecified phase)
0.7358	Intermediate Similarity	NPD5719	Approved
0.7345	Intermediate Similarity	NPD6338	Approved
0.7345	Intermediate Similarity	NPD6337	Approved
0.7341	Intermediate Similarity	NPD7032	Approved
0.7321	Intermediate Similarity	NPD6063	Approved
0.7283	Intermediate Similarity	NPD6607	Clinical (unspecified phase)
0.7273	Intermediate Similarity	NPD5267	Discontinued
0.7273	Intermediate Similarity	NPD1678	Clinical (unspecified phase)
0.7267	Intermediate Similarity	NPD5847	Phase 1
0.7262	Intermediate Similarity	NPD6738	Phase 2
0.7262	Intermediate Similarity	NPD6737	Phase 2
0.725	Intermediate Similarity	NPD4597	Approved
0.725	Intermediate Similarity	NPD4598	Approved
0.7244	Intermediate Similarity	NPD7200	Approved
0.7241	Intermediate Similarity	NPD5938	Phase 3
0.7233	Intermediate Similarity	NPD1422	Approved
0.7232	Intermediate Similarity	NPD7149	Clinical (unspecified phase)
0.7219	Intermediate Similarity	NPD6524	Clinical (unspecified phase)
0.7216	Intermediate Similarity	NPD795	Clinical (unspecified phase)
0.7212	Intermediate Similarity	NPD8330	Clinical (unspecified phase)
0.7209	Intermediate Similarity	NPD4986	Clinical (unspecified phase)
0.7205	Intermediate Similarity	NPD2459	Approved
0.7205	Intermediate Similarity	NPD2458	Approved
0.7205	Intermediate Similarity	NPD2460	Phase 3
0.7204	Intermediate Similarity	NPD5547	Clinical (unspecified phase)
0.7197	Intermediate Similarity	NPD654	Phase 3
0.7174	Intermediate Similarity	NPD4523	Approved
0.7143	Intermediate Similarity	NPD2845	Phase 2
0.7143	Intermediate Similarity	NPD2843	Phase 2
0.7143	Intermediate Similarity	NPD6136	Phase 2
0.7143	Intermediate Similarity	NPD6880	Phase 3
0.7134	Intermediate Similarity	NPD1393	Approved
0.711	Intermediate Similarity	NPD3984	Clinical (unspecified phase)
0.711	Intermediate Similarity	NPD3983	Phase 3
0.7107	Intermediate Similarity	NPD696	Discontinued
0.7102	Intermediate Similarity	NPD4498	Clinical (unspecified phase)
0.7101	Intermediate Similarity	NPD1861	Discovery
0.7097	Intermediate Similarity	NPD5652	Approved
0.7097	Intermediate Similarity	NPD5650	Approved
0.7097	Intermediate Similarity	NPD5651	Approved
0.7095	Intermediate Similarity	NPD254	Approved
0.7091	Intermediate Similarity	NPD2874	Phase 2
0.7072	Intermediate Similarity	NPD6339	Approved
0.7072	Intermediate Similarity	NPD6340	Approved
0.7065	Intermediate Similarity	NPD5587	Approved
0.7065	Intermediate Similarity	NPD6569	Phase 2
0.7059	Intermediate Similarity	NPD6877	Discontinued
0.7029	Intermediate Similarity	NPD4083	Discontinued
0.7027	Intermediate Similarity	NPD7262	Phase 1
0.7024	Intermediate Similarity	NPD789	Phase 2
0.7006	Intermediate Similarity	NPD5132	Clinical (unspecified phase)
0.7006	Intermediate Similarity	NPD3627	Approved
0.7005	Intermediate Similarity	NPD2952	Discontinued
0.7	Intermediate Similarity	NPD6461	Clinical (unspecified phase)
0.7	Intermediate Similarity	NPD2594	Approved
0.7	Intermediate Similarity	NPD2595	Approved
0.7	Intermediate Similarity	NPD1769	Discontinued
0.6995	Remote Similarity	NPD6608	Clinical (unspecified phase)
0.6983	Remote Similarity	NPD6211	Clinical (unspecified phase)
0.6982	Remote Similarity	NPD3679	Phase 2
0.6957	Remote Similarity	NPD3693	Clinical (unspecified phase)
0.6957	Remote Similarity	NPD6380	Phase 1
0.6957	Remote Similarity	NPD4081	Clinical (unspecified phase)
0.6954	Remote Similarity	NPD6767	Clinical (unspecified phase)
0.6947	Remote Similarity	NPD6604	Discontinued
0.6944	Remote Similarity	NPD4203	Approved
0.6944	Remote Similarity	NPD4204	Approved
0.6941	Remote Similarity	NPD4205	Phase 3
0.6932	Remote Similarity	NPD5680	Clinical (unspecified phase)
0.6932	Remote Similarity	NPD2216	Approved
0.6932	Remote Similarity	NPD2215	Approved
0.6931	Remote Similarity	NPD6757	Phase 3
0.6923	Remote Similarity	NPD4993	Discontinued
0.6923	Remote Similarity	NPD5811	Approved
0.6915	Remote Similarity	NPD4673	Phase 2
0.6914	Remote Similarity	NPD3156	Discontinued
0.6909	Remote Similarity	NPD2945	Clinical (unspecified phase)
0.6902	Remote Similarity	NPD4021	Phase 2
0.6897	Remote Similarity	NPD4796	Discontinued
0.6895	Remote Similarity	NPD4396	Clinical (unspecified phase)
0.6885	Remote Similarity	NPD3316	Clinical (unspecified phase)
0.6882	Remote Similarity	NPD4324	Phase 2
0.6882	Remote Similarity	NPD4325	Phase 2
0.6879	Remote Similarity	NPD19	Approved
0.6879	Remote Similarity	NPD1743	Approved
0.6879	Remote Similarity	NPD1742	Approved
0.6872	Remote Similarity	NPD5334	Clinical (unspecified phase)
0.6871	Remote Similarity	NPD3656	Approved
0.6868	Remote Similarity	NPD5083	Clinical (unspecified phase)
0.6864	Remote Similarity	NPD3563	Approved
0.6864	Remote Similarity	NPD3564	Approved
0.6864	Remote Similarity	NPD3562	Approved
0.686	Remote Similarity	NPD5294	Clinical (unspecified phase)
0.6859	Remote Similarity	NPD6592	Clinical (unspecified phase)
0.6857	Remote Similarity	NPD2162	Clinical (unspecified phase)
0.6852	Remote Similarity	NPD822	Approved
0.6851	Remote Similarity	NPD3037	Phase 1
0.6848	Remote Similarity	NPD6748	Discontinued
0.6834	Remote Similarity	NPD5101	Discontinued
0.6828	Remote Similarity	NPD4148	Approved
0.6828	Remote Similarity	NPD6656	Clinical (unspecified phase)
0.6826	Remote Similarity	NPD2752	Clinical (unspecified phase)
0.6826	Remote Similarity	NPD2114	Discontinued
0.6825	Remote Similarity	NPD5515	Phase 2
0.6825	Remote Similarity	NPD6034	Phase 2
0.6824	Remote Similarity	NPD5639	Clinical (unspecified phase)
0.6821	Remote Similarity	NPD3560	Approved
0.6821	Remote Similarity	NPD3558	Approved
0.6821	Remote Similarity	NPD3556	Approved
0.6821	Remote Similarity	NPD3557	Approved
0.6821	Remote Similarity	NPD3559	Clinical (unspecified phase)
0.6809	Remote Similarity	NPD3395	Approved
0.6809	Remote Similarity	NPD3396	Approved
0.6809	Remote Similarity	NPD6861	Clinical (unspecified phase)
0.6807	Remote Similarity	NPD5595	Clinical (unspecified phase)
0.6802	Remote Similarity	NPD6453	Phase 1
0.68	Remote Similarity	NPD5059	Clinical (unspecified phase)
0.6798	Remote Similarity	NPD6365	Clinical (unspecified phase)
0.6798	Remote Similarity	NPD5858	Discontinued
0.6796	Remote Similarity	NPD6654	Clinical (unspecified phase)
0.6793	Remote Similarity	NPD6638	Approved
0.6791	Remote Similarity	NPD4372	Phase 1
0.6786	Remote Similarity	NPD681	Clinical (unspecified phase)
0.6784	Remote Similarity	NPD3296	Phase 1
0.6778	Remote Similarity	NPD5600	Discontinued
0.6771	Remote Similarity	NPD7566	Clinical (unspecified phase)
0.6769	Remote Similarity	NPD2885	Approved
0.6769	Remote Similarity	NPD7222	Phase 2
0.6769	Remote Similarity	NPD2886	Approved
0.6763	Remote Similarity	NPD2842	Clinical (unspecified phase)
0.6757	Remote Similarity	NPD4515	Suspended
0.6755	Remote Similarity	NPD5150	Phase 2
0.6755	Remote Similarity	NPD6046	Clinical (unspecified phase)
0.6754	Remote Similarity	NPD6874	Approved
0.6753	Remote Similarity	NPD5628	Clinical (unspecified phase)
0.6752	Remote Similarity	NPD2990	Approved
0.6752	Remote Similarity	NPD2987	Approved
0.675	Remote Similarity	NPD7477	Discontinued
0.6744	Remote Similarity	NPD3236	Phase 3
0.6744	Remote Similarity	NPD3237	Clinical (unspecified phase)
0.674	Remote Similarity	NPD5900	Clinical (unspecified phase)
0.674	Remote Similarity	NPD2825	Approved
0.674	Remote Similarity	NPD2826	Approved
0.674	Remote Similarity	NPD2827	Approved
0.6735	Remote Similarity	NPD5863	Clinical (unspecified phase)
0.6734	Remote Similarity	NPD6177	Clinical (unspecified phase)
0.6734	Remote Similarity	NPD5944	Phase 1
0.6734	Remote Similarity	NPD5945	Phase 1
0.6727	Remote Similarity	NPD4149	Clinical (unspecified phase)
0.6725	Remote Similarity	NPD6523	Clinical (unspecified phase)
0.6723	Remote Similarity	NPD3858	Discontinued
0.6721	Remote Similarity	NPD4012	Approved
0.672	Remote Similarity	NPD7326	Phase 3
0.672	Remote Similarity	NPD4681	Clinical (unspecified phase)
0.6719	Remote Similarity	NPD6810	Clinical (unspecified phase)
0.6719	Remote Similarity	NPD6519	Phase 2
0.6717	Remote Similarity	NPD6220	Phase 3
0.6707	Remote Similarity	NPD6606	Clinical (unspecified phase)
0.6703	Remote Similarity	NPD4920	Clinical (unspecified phase)
0.6703	Remote Similarity	NPD4921	Phase 3
0.6703	Remote Similarity	NPD4919	Phase 3
0.6701	Remote Similarity	NPD3804	Discontinued
0.67	Remote Similarity	NPD7538	Clinical (unspecified phase)
0.6698	Remote Similarity	NPD6605	Phase 3
0.6686	Remote Similarity	NPD4871	Phase 2
0.6685	Remote Similarity	NPD5521	Clinical (unspecified phase)
0.6685	Remote Similarity	NPD3504	Approved
0.6685	Remote Similarity	NPD3503	Approved
0.6685	Remote Similarity	NPD4071	Approved
0.6685	Remote Similarity	NPD5670	Approved
0.6685	Remote Similarity	NPD3793	Phase 3
0.6685	Remote Similarity	NPD4072	Approved
0.6684	Remote Similarity	NPD5582	Discontinued
0.6684	Remote Similarity	NPD2410	Phase 2
0.6683	Remote Similarity	NPD7178	Clinical (unspecified phase)
0.6667	Remote Similarity	NPD7752	Approved
0.6667	Remote Similarity	NPD7030	Discontinued
0.6667	Remote Similarity	NPD7753	Approved
0.6667	Remote Similarity	NPD5645	Phase 3
0.6667	Remote Similarity	NPD1034	Phase 3
0.6667	Remote Similarity	NPD6382	Discontinued
0.6667	Remote Similarity	NPD6393	Clinical (unspecified phase)
0.6667	Remote Similarity	NPD5102	Clinical (unspecified phase)
0.6667	Remote Similarity	NPD1033	Clinical (unspecified phase)
0.6667	Remote Similarity	NPD5602	Clinical (unspecified phase)
0.6649	Remote Similarity	NPD6769	Clinical (unspecified phase)
0.6649	Remote Similarity	NPD7491	Clinical (unspecified phase)
0.6647	Remote Similarity	NPD2469	Approved

Structure

CID315257 OpenBabel06191716132D 28 31 0 0 0 0 0 0 0 0999 V2000 -0.6237 -2.9344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3669 -2.2653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3273 -2.6254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3776 -0.5933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1590 -1.2872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5352 -1.6473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8417 -2.5933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7078 -1.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9757 -2.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8417 -0.5933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7796 0.9067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9135 -0.5933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5116 -1.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6456 0.4067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7796 -1.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2437 -1.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6691 0.7431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7078 -2.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2079 -0.9781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9757 -1.0933 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 0.9135 0.4067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5738 -2.5933 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.1691 1.6092 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6456 -0.5933 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5522 2.0704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1097 -0.5933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 1 0 0 0 0 2 5 1 0 0 0 0 3 6 2 0 0 0 0 4 13 1 0 0 0 0 4 16 1 0 0 0 0 5 19 2 0 0 0 0 6 19 1 0 0 0 0 7 9 1 0 0 0 0 7 18 2 0 0 0 0 8 10 2 0 0 0 0 8 18 1 0 0 0 0 9 20 2 0 0 0 0 10 20 1 0 0 0 0 11 14 1 0 0 0 0 11 22 1 0 0 0 0 12 15 1 0 0 0 0 12 22 1 0 0 0 0 13 25 1 0 0 0 0 14 25 1 0 0 0 0 15 25 1 0 0 0 0 16 28 1 0 0 0 0 17 24 1 0 0 0 0 17 26 1 0 0 0 0 18 23 1 0 0 0 0 19 26 1 0 0 0 0 20 28 1 0 0 0 0 21 22 1 0 0 0 0 21 24 2 0 0 0 0 21 27 1 0 0 0 0 22 26 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	68186
ChEMBL	CHEMBL79834
ZINC

Physicochemical Properties

Molecular Weight:	383.20
ALogP:	-1.9368
MLogP:	3.22
XLogP:	4.731
# Rotatable Bonds:	8
Polar Surface Area:	48.3
# H-Bond Aceptor:	4
# H-Bond Donor:	1
# Rings:	4
# Heavy Atoms:	28

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