NPASS Natural Product

Natural Product: NPC303370

Natural Product ID:	NPC303370
Common Name:	Anhydroaegeline
IUPAC Name:	(E)-N-[(E)-2-(4-methoxyphenyl)ethenyl]-3-phenylprop-2-enamide
Synonyms:	Anhydroaegeline
Molecular Formula:	C18H17NO2
Standard InCHIKey:	ZNOWFEIVNQBQRT-KAQIVPQOSA-N
Standard InCHI:	InChI=1S/C18H17NO2/c1-21-17-10-7-16(8-11-17)13-14-19-18(20)12-9-15-5-3-2-4-6-15/h2-14H,1H3,(H,19,20)/b12-9+,14-13+
Canonical SMILES:	COc1ccc(cc1)/C=C/N=C(/C=C/c1ccccc1)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
NPO5045	Aegle marmelos	Species	Rutaceae	Eukaryota	Leaves			PMID[18760601]

Biological Activity

Activity Type	# Activity
IC50	1
Others	4

Activity Type	# Activity
Others	5

Target ID	Target Type	Target Name	Activity Type	Activity Relation	Value	Unit	Reference
NPT2	Others	Unspecified	Inhibition	=	25.2	%	8496705
NPT2	Others	Unspecified	Inhibition	=	7.5	%	18500841
NPT2	Others	Unspecified	Inhibition	=	56.5	%	18500841
NPT2	Others	Unspecified	Inhibition	=	1.7	%	PubChem BioAssay data set
NPT2	Others	Unspecified	IC50	=	35800	nM	16180824

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 NPC303370 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	99
0.1-0.2	1060
0.2-0.3	4308
0.3-0.4	8654
0.4-0.5	3869
0.5-0.6	8358
0.6-0.7	4006
0.7-0.8	482
0.8-0.85	38
0.85-0.9	11
0.9-0.95	3
0.95-1	1

Similarity Score	Similarity Level	Natural Product ID
0.964	High Similarity	NPC256369
0.9298	High Similarity	NPC83279
0.9266	High Similarity	NPC166837
0.9043	High Similarity	NPC263835
0.8991	High Similarity	NPC146530
0.8957	High Similarity	NPC43275
0.886	High Similarity	NPC258992
0.8783	High Similarity	NPC323948
0.8772	High Similarity	NPC37302
0.8739	High Similarity	NPC211218
0.8718	High Similarity	NPC41801
0.8667	High Similarity	NPC95733
0.8667	High Similarity	NPC62101
0.8629	High Similarity	NPC471953
0.8525	High Similarity	NPC301713
0.8455	Intermediate Similarity	NPC186898
0.8455	Intermediate Similarity	NPC251571
0.8443	Intermediate Similarity	NPC29477
0.8387	Intermediate Similarity	NPC155838
0.8346	Intermediate Similarity	NPC303993
0.832	Intermediate Similarity	NPC35961
0.832	Intermediate Similarity	NPC195749
0.832	Intermediate Similarity	NPC52029
0.8319	Intermediate Similarity	NPC24101
0.8319	Intermediate Similarity	NPC96224
0.8319	Intermediate Similarity	NPC309982
0.8304	Intermediate Similarity	NPC113457
0.8197	Intermediate Similarity	NPC471315
0.8197	Intermediate Similarity	NPC471314
0.8189	Intermediate Similarity	NPC214869
0.8158	Intermediate Similarity	NPC201959
0.8154	Intermediate Similarity	NPC213471
0.8145	Intermediate Similarity	NPC182147
0.8145	Intermediate Similarity	NPC246133
0.8145	Intermediate Similarity	NPC170583
0.8145	Intermediate Similarity	NPC152186
0.8145	Intermediate Similarity	NPC207541
0.8145	Intermediate Similarity	NPC71105
0.8125	Intermediate Similarity	NPC12987
0.8125	Intermediate Similarity	NPC474603
0.811	Intermediate Similarity	NPC114102
0.808	Intermediate Similarity	NPC251466
0.808	Intermediate Similarity	NPC156944
0.807	Intermediate Similarity	NPC142297
0.8065	Intermediate Similarity	NPC300955
0.8036	Intermediate Similarity	NPC192596
0.8031	Intermediate Similarity	NPC470706
0.8016	Intermediate Similarity	NPC157740
0.8016	Intermediate Similarity	NPC99798
0.8016	Intermediate Similarity	NPC153990
0.8016	Intermediate Similarity	NPC41331
0.8016	Intermediate Similarity	NPC291449
0.8	Intermediate Similarity	NPC75440
0.7982	Intermediate Similarity	NPC231705
0.7953	Intermediate Similarity	NPC246974
0.7953	Intermediate Similarity	NPC147247
0.7951	Intermediate Similarity	NPC289330
0.7951	Intermediate Similarity	NPC160120
0.7951	Intermediate Similarity	NPC53596
0.7951	Intermediate Similarity	NPC17388
0.7951	Intermediate Similarity	NPC471308
0.7951	Intermediate Similarity	NPC321133
0.7946	Intermediate Similarity	NPC51633
0.7931	Intermediate Similarity	NPC474272
0.7907	Intermediate Similarity	NPC274732
0.7895	Intermediate Similarity	NPC212850
0.7895	Intermediate Similarity	NPC83289
0.7895	Intermediate Similarity	NPC189724
0.789	Intermediate Similarity	NPC471581
0.7879	Intermediate Similarity	NPC204848
0.7879	Intermediate Similarity	NPC41473
0.7879	Intermediate Similarity	NPC312770
0.7879	Intermediate Similarity	NPC14600
0.7879	Intermediate Similarity	NPC160607
0.7876	Intermediate Similarity	NPC178902
0.785	Intermediate Similarity	NPC177844
0.785	Intermediate Similarity	NPC259134
0.785	Intermediate Similarity	NPC8002
0.785	Intermediate Similarity	NPC99886
0.7845	Intermediate Similarity	NPC153690
0.7836	Intermediate Similarity	NPC195814
0.782	Intermediate Similarity	NPC299583
0.782	Intermediate Similarity	NPC296898
0.7815	Intermediate Similarity	NPC141003
0.7815	Intermediate Similarity	NPC35344
0.7795	Intermediate Similarity	NPC218323
0.7788	Intermediate Similarity	NPC300166
0.7778	Intermediate Similarity	NPC258056
0.7778	Intermediate Similarity	NPC71853
0.7768	Intermediate Similarity	NPC100870
0.775	Intermediate Similarity	NPC228287
0.775	Intermediate Similarity	NPC180508
0.7739	Intermediate Similarity	NPC42383
0.7739	Intermediate Similarity	NPC470393
0.7734	Intermediate Similarity	NPC191302
0.7719	Intermediate Similarity	NPC305205
0.7712	Intermediate Similarity	NPC474149
0.7706	Intermediate Similarity	NPC321956
0.7705	Intermediate Similarity	NPC283468
0.7692	Intermediate Similarity	NPC255550
0.7692	Intermediate Similarity	NPC308885
0.7686	Intermediate Similarity	NPC185541
0.7686	Intermediate Similarity	NPC464
0.7681	Intermediate Similarity	NPC245974
0.7674	Intermediate Similarity	NPC469977
0.7664	Intermediate Similarity	NPC247298
0.7652	Intermediate Similarity	NPC38079
0.7652	Intermediate Similarity	NPC29650
0.7652	Intermediate Similarity	NPC284855
0.7652	Intermediate Similarity	NPC282477
0.7652	Intermediate Similarity	NPC108875
0.7652	Intermediate Similarity	NPC473463
0.7652	Intermediate Similarity	NPC2518
0.7647	Intermediate Similarity	NPC296920
0.7647	Intermediate Similarity	NPC266932
0.7647	Intermediate Similarity	NPC90520
0.7642	Intermediate Similarity	NPC122009
0.7634	Intermediate Similarity	NPC93882
0.7634	Intermediate Similarity	NPC130595
0.7627	Intermediate Similarity	NPC82016
0.7623	Intermediate Similarity	NPC82963
0.7623	Intermediate Similarity	NPC19290
0.7623	Intermediate Similarity	NPC85292
0.7623	Intermediate Similarity	NPC54507
0.7623	Intermediate Similarity	NPC229147
0.7615	Intermediate Similarity	NPC99280
0.7611	Intermediate Similarity	NPC471576
0.7609	Intermediate Similarity	NPC9373
0.7594	Intermediate Similarity	NPC138365
0.7591	Intermediate Similarity	NPC178466
0.7591	Intermediate Similarity	NPC78530
0.7591	Intermediate Similarity	NPC63628
0.7586	Intermediate Similarity	NPC154899
0.7586	Intermediate Similarity	NPC233396
0.7583	Intermediate Similarity	NPC280606
0.7576	Intermediate Similarity	NPC313737
0.7576	Intermediate Similarity	NPC6854
0.7576	Intermediate Similarity	NPC285078
0.7574	Intermediate Similarity	NPC474128
0.7563	Intermediate Similarity	NPC475852
0.7561	Intermediate Similarity	NPC474933
0.7561	Intermediate Similarity	NPC280001
0.7561	Intermediate Similarity	NPC311737
0.7561	Intermediate Similarity	NPC38458
0.7542	Intermediate Similarity	NPC97811
0.7541	Intermediate Similarity	NPC296526
0.7522	Intermediate Similarity	NPC175298
0.7521	Intermediate Similarity	NPC92623
0.7521	Intermediate Similarity	NPC135464
0.7519	Intermediate Similarity	NPC218530
0.7518	Intermediate Similarity	NPC222039
0.7518	Intermediate Similarity	NPC100478
0.75	Intermediate Similarity	NPC131118
0.75	Intermediate Similarity	NPC470392
0.75	Intermediate Similarity	NPC241224
0.75	Intermediate Similarity	NPC26244
0.75	Intermediate Similarity	NPC470626
0.7482	Intermediate Similarity	NPC5462
0.7481	Intermediate Similarity	NPC254610
0.748	Intermediate Similarity	NPC141090
0.7464	Intermediate Similarity	NPC470472
0.7464	Intermediate Similarity	NPC135349
0.7463	Intermediate Similarity	NPC237227
0.7463	Intermediate Similarity	NPC470471
0.746	Intermediate Similarity	NPC318357
0.746	Intermediate Similarity	NPC183262
0.7459	Intermediate Similarity	NPC118202
0.7458	Intermediate Similarity	NPC251306
0.7458	Intermediate Similarity	NPC227894
0.7458	Intermediate Similarity	NPC35543
0.7447	Intermediate Similarity	NPC161544
0.744	Intermediate Similarity	NPC163036
0.744	Intermediate Similarity	NPC310338
0.744	Intermediate Similarity	NPC268572
0.744	Intermediate Similarity	NPC281298
0.7438	Intermediate Similarity	NPC165646
0.7436	Intermediate Similarity	NPC8302
0.7434	Intermediate Similarity	NPC473388
0.7434	Intermediate Similarity	NPC33168
0.7429	Intermediate Similarity	NPC132771
0.7422	Intermediate Similarity	NPC255253
0.7422	Intermediate Similarity	NPC328267
0.7419	Intermediate Similarity	NPC293619
0.7417	Intermediate Similarity	NPC94045
0.7417	Intermediate Similarity	NPC46844
0.7411	Intermediate Similarity	NPC151715
0.741	Intermediate Similarity	NPC80928
0.7398	Intermediate Similarity	NPC53906
0.7398	Intermediate Similarity	NPC317254
0.7395	Intermediate Similarity	NPC245115
0.7391	Intermediate Similarity	NPC13755
0.7381	Intermediate Similarity	NPC474565
0.7381	Intermediate Similarity	NPC56214
0.7381	Intermediate Similarity	NPC165133
0.7381	Intermediate Similarity	NPC242885
0.7381	Intermediate Similarity	NPC95614
0.7381	Intermediate Similarity	NPC103916
0.7381	Intermediate Similarity	NPC117780
0.7381	Intermediate Similarity	NPC232316
0.7381	Intermediate Similarity	NPC227217

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC303370 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	104
0.1-0.2	673
0.2-0.3	969
0.3-0.4	1719
0.4-0.5	2781
0.5-0.6	1884
0.6-0.7	865
0.7-0.8	163
0.8-0.85	2
0.85-0.9	1
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.8607	High Similarity	NPD4993	Discontinued
0.8279	Intermediate Similarity	NPD1669	Approved
0.8034	Intermediate Similarity	NPD821	Approved
0.7984	Intermediate Similarity	NPD3676	Clinical (unspecified phase)
0.7984	Intermediate Similarity	NPD6583	Phase 3
0.7984	Intermediate Similarity	NPD6582	Phase 2
0.7951	Intermediate Similarity	NPD2667	Approved
0.7951	Intermediate Similarity	NPD2668	Approved
0.7917	Intermediate Similarity	NPD3596	Phase 2
0.7795	Intermediate Similarity	NPD6584	Phase 3
0.7787	Intermediate Similarity	NPD6581	Approved
0.7787	Intermediate Similarity	NPD6580	Approved
0.7778	Intermediate Similarity	NPD2922	Phase 1
0.7724	Intermediate Similarity	NPD6830	Clinical (unspecified phase)
0.7721	Intermediate Similarity	NPD5481	Discontinued
0.771	Intermediate Similarity	NPD5837	Clinical (unspecified phase)
0.7698	Intermediate Similarity	NPD3685	Discontinued
0.7692	Intermediate Similarity	NPD3145	Approved
0.7692	Intermediate Similarity	NPD3144	Approved
0.7686	Intermediate Similarity	NPD2557	Approved
0.7686	Intermediate Similarity	NPD709	Approved
0.7634	Intermediate Similarity	NPD7477	Discontinued
0.7634	Intermediate Similarity	NPD2674	Phase 3
0.7627	Intermediate Similarity	NPD5451	Approved
0.7619	Intermediate Similarity	NPD2230	Approved
0.7619	Intermediate Similarity	NPD2232	Approved
0.7619	Intermediate Similarity	NPD2233	Approved
0.7612	Intermediate Similarity	NPD4108	Discontinued
0.76	Intermediate Similarity	NPD3421	Phase 3
0.76	Intermediate Similarity	NPD3847	Discontinued
0.7568	Intermediate Similarity	NPD2934	Approved
0.7568	Intermediate Similarity	NPD2933	Approved
0.7542	Intermediate Similarity	NPD2684	Approved
0.7521	Intermediate Similarity	NPD968	Approved
0.752	Intermediate Similarity	NPD2423	Clinical (unspecified phase)
0.75	Intermediate Similarity	NPD2859	Approved
0.75	Intermediate Similarity	NPD2860	Approved
0.75	Intermediate Similarity	NPD7258	Clinical (unspecified phase)
0.75	Intermediate Similarity	NPD3058	Clinical (unspecified phase)
0.7481	Intermediate Similarity	NPD1024	Discontinued
0.7481	Intermediate Similarity	NPD5163	Phase 2
0.7442	Intermediate Similarity	NPD1232	Clinical (unspecified phase)
0.744	Intermediate Similarity	NPD3445	Approved
0.744	Intermediate Similarity	NPD3049	Approved
0.744	Intermediate Similarity	NPD2595	Approved
0.744	Intermediate Similarity	NPD6382	Discontinued
0.744	Intermediate Similarity	NPD3444	Approved
0.744	Intermediate Similarity	NPD3443	Approved
0.744	Intermediate Similarity	NPD2594	Approved
0.7422	Intermediate Similarity	NPD2428	Approved
0.7422	Intermediate Similarity	NPD6539	Approved
0.7422	Intermediate Similarity	NPD6542	Approved
0.7422	Intermediate Similarity	NPD2429	Approved
0.7422	Intermediate Similarity	NPD4129	Approved
0.7422	Intermediate Similarity	NPD6543	Approved
0.7422	Intermediate Similarity	NPD6540	Phase 3
0.7381	Intermediate Similarity	NPD2556	Approved
0.7381	Intermediate Similarity	NPD2554	Approved
0.7377	Intermediate Similarity	NPD5283	Phase 1
0.7373	Intermediate Similarity	NPD3134	Approved
0.7364	Intermediate Similarity	NPD6541	Approved
0.7364	Intermediate Similarity	NPD6538	Approved
0.736	Intermediate Similarity	NPD2486	Discontinued
0.7348	Intermediate Similarity	NPD6179	Discontinued
0.7344	Intermediate Similarity	NPD2231	Phase 2
0.7344	Intermediate Similarity	NPD2235	Phase 2
0.7338	Intermediate Similarity	NPD6331	Phase 2
0.7333	Intermediate Similarity	NPD3054	Approved
0.7333	Intermediate Similarity	NPD2157	Approved
0.7333	Intermediate Similarity	NPD1772	Clinical (unspecified phase)
0.7333	Intermediate Similarity	NPD3052	Approved
0.7328	Intermediate Similarity	NPD1712	Approved
0.7328	Intermediate Similarity	NPD2407	Clinical (unspecified phase)
0.7319	Intermediate Similarity	NPD7596	Clinical (unspecified phase)
0.7308	Intermediate Similarity	NPD3567	Approved
0.7308	Intermediate Similarity	NPD3568	Approved
0.7304	Intermediate Similarity	NPD3020	Approved
0.7295	Intermediate Similarity	NPD5535	Approved
0.7295	Intermediate Similarity	NPD7843	Approved
0.7293	Intermediate Similarity	NPD5111	Phase 2
0.7293	Intermediate Similarity	NPD5110	Phase 2
0.7293	Intermediate Similarity	NPD5109	Approved
0.7293	Intermediate Similarity	NPD3056	Clinical (unspecified phase)
0.7293	Intermediate Similarity	NPD1048	Approved
0.7273	Intermediate Similarity	NPD5752	Clinical (unspecified phase)
0.7266	Intermediate Similarity	NPD2460	Phase 3
0.7266	Intermediate Similarity	NPD2459	Approved
0.7266	Intermediate Similarity	NPD2458	Approved
0.7254	Intermediate Similarity	NPD4123	Phase 3
0.7252	Intermediate Similarity	NPD7018	Phase 2
0.7239	Intermediate Similarity	NPD7265	Discontinued
0.7239	Intermediate Similarity	NPD1423	Approved
0.7239	Intermediate Similarity	NPD839	Approved
0.7239	Intermediate Similarity	NPD840	Approved
0.7236	Intermediate Similarity	NPD2234	Approved
0.7236	Intermediate Similarity	NPD2228	Approved
0.7236	Intermediate Similarity	NPD2229	Approved
0.7226	Intermediate Similarity	NPD3846	Clinical (unspecified phase)
0.7222	Intermediate Similarity	NPD1182	Approved
0.7214	Intermediate Similarity	NPD6658	Clinical (unspecified phase)
0.7213	Intermediate Similarity	NPD228	Approved
0.7206	Intermediate Similarity	NPD4579	Clinical (unspecified phase)
0.7206	Intermediate Similarity	NPD4097	Suspended
0.7188	Intermediate Similarity	NPD3294	Phase 2
0.7185	Intermediate Similarity	NPD2238	Phase 2
0.7177	Intermediate Similarity	NPD593	Approved
0.7177	Intermediate Similarity	NPD595	Approved
0.7176	Intermediate Similarity	NPD1817	Approved
0.7176	Intermediate Similarity	NPD1820	Approved
0.7176	Intermediate Similarity	NPD1770	Clinical (unspecified phase)
0.7176	Intermediate Similarity	NPD4098	Discontinued
0.7176	Intermediate Similarity	NPD1818	Approved
0.7176	Intermediate Similarity	NPD1819	Approved
0.7174	Intermediate Similarity	NPD2161	Phase 2
0.7167	Intermediate Similarity	NPD1358	Approved
0.7164	Intermediate Similarity	NPD3374	Clinical (unspecified phase)
0.7164	Intermediate Similarity	NPD5718	Phase 2
0.7164	Intermediate Similarity	NPD7294	Phase 1
0.7164	Intermediate Similarity	NPD1039	Discontinued
0.7154	Intermediate Similarity	NPD3600	Clinical (unspecified phase)
0.7154	Intermediate Similarity	NPD4379	Clinical (unspecified phase)
0.7153	Intermediate Similarity	NPD7131	Phase 3
0.7143	Intermediate Similarity	NPD6364	Approved
0.7143	Intermediate Similarity	NPD5536	Phase 2
0.7143	Intermediate Similarity	NPD44	Approved
0.7133	Intermediate Similarity	NPD3985	Discontinued
0.7132	Intermediate Similarity	NPD776	Approved
0.7121	Intermediate Similarity	NPD7451	Discontinued
0.7121	Intermediate Similarity	NPD7905	Discontinued
0.712	Intermediate Similarity	NPD7157	Approved
0.712	Intermediate Similarity	NPD6387	Discontinued
0.7109	Intermediate Similarity	NPD5238	Clinical (unspecified phase)
0.7109	Intermediate Similarity	NPD6516	Phase 2
0.7109	Intermediate Similarity	NPD5846	Approved
0.7101	Intermediate Similarity	NPD6380	Phase 1
0.709	Intermediate Similarity	NPD3164	Approved
0.709	Intermediate Similarity	NPD3165	Approved
0.709	Intermediate Similarity	NPD3180	Approved
0.709	Intermediate Similarity	NPD3166	Approved
0.709	Intermediate Similarity	NPD3167	Approved
0.709	Intermediate Similarity	NPD3179	Approved
0.7087	Intermediate Similarity	NPD1548	Phase 1
0.7083	Intermediate Similarity	NPD5261	Clinical (unspecified phase)
0.7077	Intermediate Similarity	NPD2337	Clinical (unspecified phase)
0.7075	Intermediate Similarity	NPD3796	Clinical (unspecified phase)
0.7071	Intermediate Similarity	NPD4149	Clinical (unspecified phase)
0.7071	Intermediate Similarity	NPD7153	Discontinued
0.7068	Intermediate Similarity	NPD2040	Clinical (unspecified phase)
0.7064	Intermediate Similarity	NPD111	Approved
0.7063	Intermediate Similarity	NPD4357	Discontinued
0.7059	Intermediate Similarity	NPD3597	Clinical (unspecified phase)
0.7059	Intermediate Similarity	NPD1558	Phase 1
0.705	Intermediate Similarity	NPD4477	Approved
0.705	Intermediate Similarity	NPD4476	Approved
0.705	Intermediate Similarity	NPD1725	Approved
0.7037	Intermediate Similarity	NPD6812	Clinical (unspecified phase)
0.7027	Intermediate Similarity	NPD7945	Clinical (unspecified phase)
0.7025	Intermediate Similarity	NPD290	Approved
0.7021	Intermediate Similarity	NPD3060	Approved
0.7015	Intermediate Similarity	NPD2614	Approved
0.7015	Intermediate Similarity	NPD682	Discontinued
0.7007	Intermediate Similarity	NPD4675	Approved
0.7007	Intermediate Similarity	NPD6502	Phase 2
0.7007	Intermediate Similarity	NPD4678	Approved
0.7	Intermediate Similarity	NPD5865	Clinical (unspecified phase)
0.7	Intermediate Similarity	NPD3656	Approved
0.6992	Remote Similarity	NPD2990	Approved
0.6992	Remote Similarity	NPD2987	Approved
0.6985	Remote Similarity	NPD5745	Approved
0.6985	Remote Similarity	NPD1726	Clinical (unspecified phase)
0.6984	Remote Similarity	NPD6671	Approved
0.6978	Remote Similarity	NPD3693	Clinical (unspecified phase)
0.6977	Remote Similarity	NPD4626	Approved
0.6972	Remote Similarity	NPD1662	Clinical (unspecified phase)
0.6964	Remote Similarity	NPD9295	Approved
0.696	Remote Similarity	NPD594	Approved
0.696	Remote Similarity	NPD592	Approved
0.6953	Remote Similarity	NPD5304	Approved
0.6953	Remote Similarity	NPD5303	Approved
0.6953	Remote Similarity	NPD1894	Discontinued
0.695	Remote Similarity	NPD1044	Clinical (unspecified phase)
0.695	Remote Similarity	NPD7037	Approved
0.695	Remote Similarity	NPD3655	Clinical (unspecified phase)
0.6949	Remote Similarity	NPD2558	Approved
0.6949	Remote Similarity	NPD2549	Approved
0.6949	Remote Similarity	NPD3028	Approved
0.6949	Remote Similarity	NPD2555	Approved
0.6949	Remote Similarity	NPD2550	Approved
0.6949	Remote Similarity	NPD2553	Approved
0.6949	Remote Similarity	NPD2552	Approved
0.6947	Remote Similarity	NPD1840	Phase 2
0.6947	Remote Similarity	NPD2561	Approved
0.6947	Remote Similarity	NPD2562	Approved
0.6944	Remote Similarity	NPD6087	Phase 1
0.6944	Remote Similarity	NPD2752	Clinical (unspecified phase)
0.694	Remote Similarity	NPD5266	Clinical (unspecified phase)
0.6929	Remote Similarity	NPD3175	Clinical (unspecified phase)
0.6928	Remote Similarity	NPD6872	Clinical (unspecified phase)
0.6923	Remote Similarity	NPD3692	Discontinued
0.6923	Remote Similarity	NPD2219	Phase 1

Structure

NPC303370 OpenBabel07101718182D 21 22 0 0 0 0 0 0 0 0999 V2000 -0.8660 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5263 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6603 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5263 -1.5000 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 8.6603 -1.0000 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 1.7321 -0.0000 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 0.0000 -1.0000 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 6.0622 -1.5000 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 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 1.7321 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1962 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 -1.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1962 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 4 6 2 0 0 0 0 5 15 2 0 0 0 0 6 15 1 0 0 0 0 7 10 1 0 0 0 0 7 16 2 0 0 0 0 8 11 2 0 0 0 0 8 16 1 0 0 0 0 9 12 2 0 0 0 0 9 15 1 0 0 0 0 10 17 2 0 0 0 0 11 17 1 0 0 0 0 12 18 1 0 0 0 0 13 14 2 0 0 0 0 13 16 1 0 0 0 0 14 19 1 0 0 0 0 17 21 1 0 0 0 0 18 19 2 3 0 0 0 18 20 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	13821181
ChEMBL	CHEMBL510582
ZINC

Physicochemical Properties

Molecular Weight:	279.13
ALogP:	-0.3806
MLogP:	3.11
XLogP:	6.12
# Rotatable Bonds:	7
Polar Surface Area:	41.82
# H-Bond Aceptor:	2
# H-Bond Donor:	1
# Rings:	2
# Heavy Atoms:	21

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