NPASS Natural Product

Natural Product: NPC296742

Natural Product ID:	NPC296742
Common Name:	Aristolactam I
IUPAC Name:
Synonyms:	Aristolactam I
Molecular Formula:	C17H11NO4
Standard InCHIKey:	MXOKGWUJNGEKBH-UHFFFAOYSA-N
Standard InCHI:	InChI=1S/C17H11NO4/c1-20-12-4-2-3-8-9(12)5-11-14-10(17(19)18-11)6-13-16(15(8)14)22-7-21-13/h2-6H,7H2,1H3,(H,18,19)
Canonical SMILES:	COc1cccc2c1cc1N=C(c3c1c2c1OCOc1c3)O
First Find Year:
Max Developmental Stage:
Synthetic Gene Cluster:	;

Species Source

Organism ID	Organism Name	Taxonomy Level	Family	SuperKingdom	Reference
NPO23020	Aristolochia fangchi	Species	Aristolochiaceae	Eukaryota	TCM_Taiwan*
NPO23020	Aristolochia fangchi	Species	Aristolochiaceae	Eukaryota	HerDing*
NPO27817	Stephania hernandifolia	Species	Menispermaceae	Eukaryota	TCM_Taiwan*
NPO27817	Stephania hernandifolia	Species	Menispermaceae	Eukaryota	HerDing*
NPO7557	Aristolochia mollissima	Species	Aristolochiaceae	Eukaryota	TCM_Taiwan*
NPO7557	Aristolochia mollissima	Species	Aristolochiaceae	Eukaryota	HerDing*
NPO4533	Spatoglossum schmittii	Species	Dictyotaceae	Eukaryota	UNPD*
NPO10846	Aristolochia rotunda	Species	Aristolochiaceae	Eukaryota	UNPD*
NPO23841	Dysophylla verticillata	NA	NA	NA	UNPD*
NPO18236	Rhizoma seu herba aristolochiae mollissimae	NA	NA	NA	TCMSP*
NPO1736	Stephaniae tetrandrae radix	NA	NA	NA	TCMSP*
NPO29610	Aristolochiae fructus	NA	NA	NA	TCMSP*
NPO14814	Aristolochia contorta	Species	Aristolochiaceae	Eukaryota	TM-MC*
NPO24916	Aristolochia debilis	Species	Aristolochiaceae	Eukaryota	TM-MC*
NPO12468	Asarum heterotropoides	Species	Aristolochiaceae	Eukaryota	TM-MC*
NPO6336	Asarum sieboldii	Species	Aristolochiaceae	Eukaryota	TM-MC*
NPO4659	Asiasarum heterotropoides	NA	NA	NA	TM-MC*
NPO29078	Asiasarum sieboldii	NA	NA	NA	TM-MC*
NPO23020	Aristolochia fangchi	Species	Aristolochiaceae	Eukaryota	TCMID*
NPO7557	Aristolochia mollissima	Species	Aristolochiaceae	Eukaryota	TCMID*
NPO10021	Nerium oleander	Species	Apocynaceae	Eukaryota	TCMID*
NPO18443	Aristolochia manshuriensis	Species	Aristolochiaceae	Eukaryota	TCMID*
NPO27817	Stephania hernandifolia	Species	Menispermaceae	Eukaryota	TCMID*
NPO267	Couepia polyandra	Species	Chrysobalanaceae	Eukaryota	UNPD*
NPO3961	Lavandula hybrida	Species	Lamiaceae	Eukaryota	UNPD*
NPO18443	Aristolochia manshuriensis	Species	Aristolochiaceae	Eukaryota	TCM_Taiwan*
NPO18443	Aristolochia manshuriensis	Species	Aristolochiaceae	Eukaryota	HerDing*

Biological Activity

Activity Type	# Activity
IC50	1

Activity Type	# Activity
Individual Protein	1

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT1371	Individual Protein	Cyclin-dependent kinase 2	Homo sapiens	IC50	=	1200	nM	20097066

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 NPC296742 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	317
0.1-0.2	1426
0.2-0.3	4567
0.3-0.4	7955
0.4-0.5	4275
0.5-0.6	9498
0.6-0.7	2597
0.7-0.8	225
0.8-0.85	12
0.85-0.9	1
0.9-0.95	8
0.95-1	8

Similarity Score	Similarity Level	Natural Product ID
0.994	High Similarity	NPC224293
0.9882	High Similarity	NPC112676
0.9881	High Similarity	NPC69213
0.9653	High Similarity	NPC29472
0.9583	High Similarity	NPC260118
0.9527	High Similarity	NPC192939
0.9527	High Similarity	NPC215747
0.9524	High Similarity	NPC265383
0.9415	High Similarity	NPC28425
0.9357	High Similarity	NPC119579
0.9298	High Similarity	NPC311936
0.9227	High Similarity	NPC159101
0.9195	High Similarity	NPC180253
0.9195	High Similarity	NPC219170
0.9191	High Similarity	NPC276060
0.9034	High Similarity	NPC22928
0.8883	High Similarity	NPC294244
0.8361	Intermediate Similarity	NPC312531
0.8261	Intermediate Similarity	NPC474904
0.8242	Intermediate Similarity	NPC249405
0.8138	Intermediate Similarity	NPC162653
0.8118	Intermediate Similarity	NPC77359
0.8103	Intermediate Similarity	NPC85661
0.8051	Intermediate Similarity	NPC46679
0.8011	Intermediate Similarity	NPC320088
0.8011	Intermediate Similarity	NPC228040
0.801	Intermediate Similarity	NPC171882
0.801	Intermediate Similarity	NPC121510
0.8	Intermediate Similarity	NPC16436
0.7989	Intermediate Similarity	NPC179704
0.7978	Intermediate Similarity	NPC190461
0.7923	Intermediate Similarity	NPC287588
0.7903	Intermediate Similarity	NPC276674
0.7903	Intermediate Similarity	NPC33902
0.7898	Intermediate Similarity	NPC235628
0.7897	Intermediate Similarity	NPC38961
0.7889	Intermediate Similarity	NPC91234
0.788	Intermediate Similarity	NPC114364
0.788	Intermediate Similarity	NPC320223
0.7874	Intermediate Similarity	NPC18614
0.7842	Intermediate Similarity	NPC302001
0.7842	Intermediate Similarity	NPC78284
0.7816	Intermediate Similarity	NPC52475
0.7814	Intermediate Similarity	NPC285941
0.7814	Intermediate Similarity	NPC474051
0.7811	Intermediate Similarity	NPC290227
0.7806	Intermediate Similarity	NPC244606
0.7806	Intermediate Similarity	NPC156728
0.779	Intermediate Similarity	NPC247389
0.7772	Intermediate Similarity	NPC240684
0.7772	Intermediate Similarity	NPC128560
0.7772	Intermediate Similarity	NPC199465
0.7772	Intermediate Similarity	NPC229166
0.7754	Intermediate Similarity	NPC248642
0.7735	Intermediate Similarity	NPC24264
0.7735	Intermediate Similarity	NPC68328
0.7735	Intermediate Similarity	NPC219341
0.7735	Intermediate Similarity	NPC476432
0.7713	Intermediate Similarity	NPC156576
0.7713	Intermediate Similarity	NPC135772
0.7692	Intermediate Similarity	NPC210918
0.7692	Intermediate Similarity	NPC298979
0.768	Intermediate Similarity	NPC302527
0.768	Intermediate Similarity	NPC16805
0.768	Intermediate Similarity	NPC225774
0.768	Intermediate Similarity	NPC167546
0.7676	Intermediate Similarity	NPC477558
0.7663	Intermediate Similarity	NPC168153
0.7663	Intermediate Similarity	NPC231371
0.7662	Intermediate Similarity	NPC61731
0.7662	Intermediate Similarity	NPC186569
0.7653	Intermediate Similarity	NPC295676
0.7647	Intermediate Similarity	NPC126284
0.7641	Intermediate Similarity	NPC212163
0.7606	Intermediate Similarity	NPC155442
0.7606	Intermediate Similarity	NPC477561
0.7606	Intermediate Similarity	NPC312918
0.7606	Intermediate Similarity	NPC476574
0.76	Intermediate Similarity	NPC211296
0.7586	Intermediate Similarity	NPC124658
0.7586	Intermediate Similarity	NPC227361
0.7569	Intermediate Similarity	NPC24954
0.7566	Intermediate Similarity	NPC116284
0.7548	Intermediate Similarity	NPC118121
0.7539	Intermediate Similarity	NPC57036
0.7524	Intermediate Similarity	NPC204446
0.7514	Intermediate Similarity	NPC477559
0.7514	Intermediate Similarity	NPC160298
0.7514	Intermediate Similarity	NPC266753
0.7514	Intermediate Similarity	NPC6152
0.7514	Intermediate Similarity	NPC232924
0.7514	Intermediate Similarity	NPC306902
0.7514	Intermediate Similarity	NPC152212
0.75	Intermediate Similarity	NPC474931
0.75	Intermediate Similarity	NPC23080
0.75	Intermediate Similarity	NPC193906
0.75	Intermediate Similarity	NPC294790
0.75	Intermediate Similarity	NPC205421
0.75	Intermediate Similarity	NPC158376
0.75	Intermediate Similarity	NPC12053
0.75	Intermediate Similarity	NPC118633
0.75	Intermediate Similarity	NPC306555
0.75	Intermediate Similarity	NPC117188
0.75	Intermediate Similarity	NPC81218
0.75	Intermediate Similarity	NPC148693
0.75	Intermediate Similarity	NPC145832
0.7474	Intermediate Similarity	NPC476575
0.7473	Intermediate Similarity	NPC19520
0.7473	Intermediate Similarity	NPC149090
0.7471	Intermediate Similarity	NPC254610
0.7463	Intermediate Similarity	NPC235076
0.7459	Intermediate Similarity	NPC69360
0.7448	Intermediate Similarity	NPC214116
0.7438	Intermediate Similarity	NPC188420
0.743	Intermediate Similarity	NPC10730
0.743	Intermediate Similarity	NPC10875
0.7426	Intermediate Similarity	NPC90185
0.7421	Intermediate Similarity	NPC32413
0.7421	Intermediate Similarity	NPC474506
0.7409	Intermediate Similarity	NPC186546
0.7409	Intermediate Similarity	NPC476576
0.7404	Intermediate Similarity	NPC256422
0.7404	Intermediate Similarity	NPC46451
0.7403	Intermediate Similarity	NPC476572
0.7391	Intermediate Similarity	NPC136508
0.7391	Intermediate Similarity	NPC78222
0.7391	Intermediate Similarity	NPC13504
0.7391	Intermediate Similarity	NPC253043
0.7391	Intermediate Similarity	NPC477563
0.7391	Intermediate Similarity	NPC306843
0.7391	Intermediate Similarity	NPC212794
0.7391	Intermediate Similarity	NPC196447
0.7391	Intermediate Similarity	NPC96603
0.7384	Intermediate Similarity	NPC77572
0.7374	Intermediate Similarity	NPC275027
0.7371	Intermediate Similarity	NPC82763
0.7371	Intermediate Similarity	NPC145304
0.7368	Intermediate Similarity	NPC258695
0.7368	Intermediate Similarity	NPC470879
0.7366	Intermediate Similarity	NPC251160
0.7358	Intermediate Similarity	NPC200888
0.7356	Intermediate Similarity	NPC23614
0.7356	Intermediate Similarity	NPC100079
0.7351	Intermediate Similarity	NPC304659
0.7351	Intermediate Similarity	NPC86144
0.734	Intermediate Similarity	NPC66341
0.734	Intermediate Similarity	NPC100573
0.734	Intermediate Similarity	NPC207873
0.734	Intermediate Similarity	NPC477020
0.734	Intermediate Similarity	NPC192135
0.7337	Intermediate Similarity	NPC324144
0.7337	Intermediate Similarity	NPC1229
0.7337	Intermediate Similarity	NPC189470
0.733	Intermediate Similarity	NPC271215
0.733	Intermediate Similarity	NPC149471
0.7327	Intermediate Similarity	NPC261388
0.7326	Intermediate Similarity	NPC474953
0.7316	Intermediate Similarity	NPC23219
0.7312	Intermediate Similarity	NPC304846
0.7304	Intermediate Similarity	NPC168250
0.7297	Intermediate Similarity	NPC168409
0.7297	Intermediate Similarity	NPC54125
0.7297	Intermediate Similarity	NPC89199
0.7296	Intermediate Similarity	NPC117717
0.7295	Intermediate Similarity	NPC55470
0.7293	Intermediate Similarity	NPC325871
0.7293	Intermediate Similarity	NPC99659
0.7292	Intermediate Similarity	NPC275132
0.7283	Intermediate Similarity	NPC60186
0.7277	Intermediate Similarity	NPC267408
0.7273	Intermediate Similarity	NPC182257
0.7273	Intermediate Similarity	NPC241055
0.7263	Intermediate Similarity	NPC112575
0.725	Intermediate Similarity	NPC25897
0.7249	Intermediate Similarity	NPC2314
0.7245	Intermediate Similarity	NPC475754
0.7243	Intermediate Similarity	NPC19555
0.7238	Intermediate Similarity	NPC148409
0.7236	Intermediate Similarity	NPC17677
0.7234	Intermediate Similarity	NPC26240
0.7234	Intermediate Similarity	NPC69712
0.7234	Intermediate Similarity	NPC477562
0.7228	Intermediate Similarity	NPC27410
0.7228	Intermediate Similarity	NPC166014
0.7225	Intermediate Similarity	NPC206201
0.7219	Intermediate Similarity	NPC150879
0.7219	Intermediate Similarity	NPC310894
0.7213	Intermediate Similarity	NPC206736
0.7213	Intermediate Similarity	NPC195766
0.7211	Intermediate Similarity	NPC187678
0.7198	Intermediate Similarity	NPC244112
0.7198	Intermediate Similarity	NPC76079
0.7196	Intermediate Similarity	NPC239775
0.7188	Intermediate Similarity	NPC475794
0.7174	Intermediate Similarity	NPC329837
0.7173	Intermediate Similarity	NPC283999
0.7165	Intermediate Similarity	NPC204385
0.7158	Intermediate Similarity	NPC289743
0.7158	Intermediate Similarity	NPC110374
0.7157	Intermediate Similarity	NPC79213

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC296742 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	245
0.1-0.2	779
0.2-0.3	906
0.3-0.4	1917
0.4-0.5	2708
0.5-0.6	2097
0.6-0.7	491
0.7-0.8	18
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
0.7697	Intermediate Similarity	NPD2358	Clinical (unspecified phase)
0.7409	Intermediate Similarity	NPD3408	Clinical (unspecified phase)
0.7404	Intermediate Similarity	NPD3763	Approved
0.7374	Intermediate Similarity	NPD5617	Suspended
0.7326	Intermediate Similarity	NPD5602	Clinical (unspecified phase)
0.7318	Intermediate Similarity	NPD5811	Approved
0.7263	Intermediate Similarity	NPD2883	Discontinued
0.7219	Intermediate Similarity	NPD4083	Discontinued
0.7179	Intermediate Similarity	NPD3349	Phase 2
0.7151	Intermediate Similarity	NPD1850	Phase 3
0.7056	Intermediate Similarity	NPD2843	Phase 2
0.7056	Intermediate Similarity	NPD2845	Phase 2
0.705	Intermediate Similarity	NPD5582	Discontinued
0.7049	Intermediate Similarity	NPD3778	Approved
0.7043	Intermediate Similarity	NPD3453	Discontinued
0.7031	Intermediate Similarity	NPD3920	Phase 2
0.7011	Intermediate Similarity	NPD3812	Clinical (unspecified phase)
0.7005	Intermediate Similarity	NPD7243	Clinical (unspecified phase)
0.6995	Remote Similarity	NPD3296	Phase 1
0.6995	Remote Similarity	NPD6996	Clinical (unspecified phase)
0.6995	Remote Similarity	NPD6184	Discontinued
0.6978	Remote Similarity	NPD950	Clinical (unspecified phase)
0.6952	Remote Similarity	NPD3816	Phase 1
0.6952	Remote Similarity	NPD3815	Phase 1
0.6952	Remote Similarity	NPD5604	Discontinued
0.6952	Remote Similarity	NPD4055	Discovery
0.694	Remote Similarity	NPD4005	Discontinued
0.6935	Remote Similarity	NPD5641	Discontinued
0.6931	Remote Similarity	NPD2821	Approved
0.6927	Remote Similarity	NPD5084	Clinical (unspecified phase)
0.6923	Remote Similarity	NPD4859	Phase 1
0.6919	Remote Similarity	NPD7571	Clinical (unspecified phase)
0.6911	Remote Similarity	NPD6607	Clinical (unspecified phase)
0.6909	Remote Similarity	NPD8067	Phase 3
0.6906	Remote Similarity	NPD4123	Phase 3
0.6895	Remote Similarity	NPD3051	Approved
0.6895	Remote Similarity	NPD4606	Clinical (unspecified phase)
0.6888	Remote Similarity	NPD5917	Clinical (unspecified phase)
0.6885	Remote Similarity	NPD4003	Phase 3
0.6878	Remote Similarity	NPD7201	Clinical (unspecified phase)
0.6865	Remote Similarity	NPD2789	Approved
0.6859	Remote Similarity	NPD2970	Approved
0.6859	Remote Similarity	NPD2969	Approved
0.6845	Remote Similarity	NPD5848	Clinical (unspecified phase)
0.6821	Remote Similarity	NPD6496	Clinical (unspecified phase)
0.6804	Remote Similarity	NPD5810	Discontinued
0.6798	Remote Similarity	NPD1375	Discontinued
0.6788	Remote Similarity	NPD5966	Clinical (unspecified phase)
0.6784	Remote Similarity	NPD4951	Discontinued
0.6776	Remote Similarity	NPD5261	Clinical (unspecified phase)
0.6774	Remote Similarity	NPD3236	Phase 3
0.6774	Remote Similarity	NPD3237	Clinical (unspecified phase)
0.6772	Remote Similarity	NPD7975	Clinical (unspecified phase)
0.6771	Remote Similarity	NPD6723	Discontinued
0.6769	Remote Similarity	NPD7479	Phase 2
0.6765	Remote Similarity	NPD7238	Clinical (unspecified phase)
0.6765	Remote Similarity	NPD7034	Discontinued
0.6755	Remote Similarity	NPD5599	Discontinued
0.6754	Remote Similarity	NPD4986	Clinical (unspecified phase)
0.675	Remote Similarity	NPD3398	Discontinued
0.675	Remote Similarity	NPD7906	Approved
0.6736	Remote Similarity	NPD27	Approved
0.6736	Remote Similarity	NPD677	Clinical (unspecified phase)
0.6736	Remote Similarity	NPD2489	Approved
0.6733	Remote Similarity	NPD3922	Approved
0.6733	Remote Similarity	NPD3923	Approved
0.6733	Remote Similarity	NPD3921	Approved
0.6733	Remote Similarity	NPD3924	Approved
0.672	Remote Similarity	NPD4675	Approved
0.672	Remote Similarity	NPD4678	Approved
0.6714	Remote Similarity	NPD7827	Phase 1
0.67	Remote Similarity	NPD7125	Discontinued
0.67	Remote Similarity	NPD7262	Phase 1
0.6696	Remote Similarity	NPD6494	Phase 2
0.6686	Remote Similarity	NPD2674	Phase 3
0.6685	Remote Similarity	NPD6331	Phase 2
0.6685	Remote Similarity	NPD4108	Discontinued
0.6685	Remote Similarity	NPD6658	Clinical (unspecified phase)
0.6683	Remote Similarity	NPD6656	Clinical (unspecified phase)
0.6667	Remote Similarity	NPD5530	Phase 1
0.6667	Remote Similarity	NPD4097	Suspended
0.6667	Remote Similarity	NPD6612	Phase 2
0.6667	Remote Similarity	NPD7493	Clinical (unspecified phase)
0.6667	Remote Similarity	NPD4664	Clinical (unspecified phase)
0.6652	Remote Similarity	NPD6503	Clinical (unspecified phase)
0.665	Remote Similarity	NPD3963	Phase 1
0.6649	Remote Similarity	NPD4481	Phase 3
0.6648	Remote Similarity	NPD2161	Phase 2
0.6648	Remote Similarity	NPD5241	Discontinued
0.6648	Remote Similarity	NPD3301	Approved
0.6634	Remote Similarity	NPD8249	Clinical (unspecified phase)
0.6633	Remote Similarity	NPD7546	Discontinued
0.6633	Remote Similarity	NPD7310	Approved
0.6633	Remote Similarity	NPD4578	Approved
0.6633	Remote Similarity	NPD7311	Approved
0.6633	Remote Similarity	NPD4577	Approved
0.6633	Remote Similarity	NPD7313	Approved
0.6633	Remote Similarity	NPD7312	Approved
0.663	Remote Similarity	NPD4584	Approved
0.6617	Remote Similarity	NPD4663	Approved
0.6615	Remote Similarity	NPD6037	Discontinued
0.6614	Remote Similarity	NPD2977	Approved
0.6614	Remote Similarity	NPD2978	Approved
0.6602	Remote Similarity	NPD6527	Approved
0.66	Remote Similarity	NPD7309	Approved
0.6596	Remote Similarity	NPD980	Clinical (unspecified phase)
0.659	Remote Similarity	NPD5164	Discontinued
0.6585	Remote Similarity	NPD7686	Clinical (unspecified phase)
0.6584	Remote Similarity	NPD5800	Discontinued
0.658	Remote Similarity	NPD3983	Phase 3
0.658	Remote Similarity	NPD3984	Clinical (unspecified phase)
0.6579	Remote Similarity	NPD2563	Approved
0.6579	Remote Similarity	NPD2560	Approved
0.6576	Remote Similarity	NPD6143	Clinical (unspecified phase)
0.6576	Remote Similarity	NPD2420	Approved
0.6576	Remote Similarity	NPD4357	Discontinued
0.6576	Remote Similarity	NPD2421	Approved
0.6567	Remote Similarity	NPD6339	Approved
0.6567	Remote Similarity	NPD6340	Approved
0.6566	Remote Similarity	NPD7007	Discovery
0.6561	Remote Similarity	NPD37	Approved
0.6557	Remote Similarity	NPD7263	Phase 2
0.6545	Remote Similarity	NPD4965	Approved
0.6545	Remote Similarity	NPD4966	Approved
0.6545	Remote Similarity	NPD4967	Phase 2
0.6545	Remote Similarity	NPD4581	Clinical (unspecified phase)
0.6538	Remote Similarity	NPD6674	Discontinued
0.6534	Remote Similarity	NPD3145	Approved
0.6534	Remote Similarity	NPD3144	Approved
0.6526	Remote Similarity	NPD5929	Approved
0.6526	Remote Similarity	NPD6818	Clinical (unspecified phase)
0.6524	Remote Similarity	NPD3516	Approved
0.6524	Remote Similarity	NPD3515	Approved
0.6517	Remote Similarity	NPD8053	Approved
0.6517	Remote Similarity	NPD8054	Approved
0.6512	Remote Similarity	NPD4502	Phase 2
0.6512	Remote Similarity	NPD1669	Approved
0.651	Remote Similarity	NPD7833	Phase 2
0.651	Remote Similarity	NPD7831	Phase 2
0.651	Remote Similarity	NPD7832	Clinical (unspecified phase)
0.6491	Remote Similarity	NPD3705	Approved
0.6489	Remote Similarity	NPD6523	Clinical (unspecified phase)
0.6486	Remote Similarity	NPD2752	Clinical (unspecified phase)
0.6479	Remote Similarity	NPD5429	Discontinued
0.6477	Remote Similarity	NPD6234	Discontinued
0.6471	Remote Similarity	NPD6030	Approved
0.6471	Remote Similarity	NPD3342	Phase 2
0.6471	Remote Similarity	NPD6031	Approved
0.6468	Remote Similarity	NPD8149	Discontinued
0.6464	Remote Similarity	NPD6522	Clinical (unspecified phase)
0.6463	Remote Similarity	NPD5805	Approved
0.6462	Remote Similarity	NPD6071	Discontinued
0.6458	Remote Similarity	NPD7773	Phase 2
0.6456	Remote Similarity	NPD6526	Approved
0.6455	Remote Similarity	NPD6502	Phase 2
0.6449	Remote Similarity	NPD5658	Approved
0.6443	Remote Similarity	NPD6746	Phase 2
0.6442	Remote Similarity	NPD4604	Approved
0.6442	Remote Similarity	NPD4605	Approved
0.6441	Remote Similarity	NPD5110	Phase 2
0.6441	Remote Similarity	NPD5111	Phase 2
0.6441	Remote Similarity	NPD5109	Approved
0.644	Remote Similarity	NPD5772	Approved
0.644	Remote Similarity	NPD5773	Approved
0.6436	Remote Similarity	NPD7090	Clinical (unspecified phase)
0.6432	Remote Similarity	NPD7174	Clinical (unspecified phase)
0.6432	Remote Similarity	NPD5557	Phase 1
0.6432	Remote Similarity	NPD6783	Clinical (unspecified phase)
0.6425	Remote Similarity	NPD6491	Clinical (unspecified phase)
0.6422	Remote Similarity	NPD1898	Discontinued
0.6421	Remote Similarity	NPD3796	Clinical (unspecified phase)
0.6416	Remote Similarity	NPD7567	Approved
0.6414	Remote Similarity	NPD3909	Discontinued
0.6414	Remote Similarity	NPD8099	Discontinued
0.6414	Remote Similarity	NPD8251	Approved
0.6414	Remote Similarity	NPD8252	Approved
0.6413	Remote Similarity	NPD5819	Phase 2
0.6411	Remote Similarity	NPD6877	Discontinued
0.6411	Remote Similarity	NPD4420	Approved
0.6408	Remote Similarity	NPD3633	Approved
0.6408	Remote Similarity	NPD3634	Approved
0.6406	Remote Similarity	NPD3556	Approved
0.6406	Remote Similarity	NPD6063	Approved
0.6406	Remote Similarity	NPD3557	Approved
0.6406	Remote Similarity	NPD3558	Approved
0.6406	Remote Similarity	NPD3560	Approved
0.6406	Remote Similarity	NPD3559	Clinical (unspecified phase)
0.6404	Remote Similarity	NPD7477	Discontinued
0.6402	Remote Similarity	NPD7453	Approved
0.6402	Remote Similarity	NPD7222	Phase 2
0.6402	Remote Similarity	NPD7452	Approved
0.6396	Remote Similarity	NPD2898	Approved
0.6393	Remote Similarity	NPD6773	Clinical (unspecified phase)
0.6392	Remote Similarity	NPD4796	Discontinued
0.6389	Remote Similarity	NPD2157	Approved
0.6387	Remote Similarity	NPD7945	Clinical (unspecified phase)
0.6386	Remote Similarity	NPD5083	Clinical (unspecified phase)
0.6382	Remote Similarity	NPD8156	Discontinued
0.6381	Remote Similarity	NPD3837	Clinical (unspecified phase)
0.6381	Remote Similarity	NPD7237	Clinical (unspecified phase)

Structure

CID296742 OpenBabel06191716102D 22 26 0 0 0 0 0 0 0 0999 V2000 3.2176 -2.7148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7844 -4.0726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0006 -3.6201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5682 -3.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7841 -1.3575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3510 -1.3581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6549 -3.6955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0005 -2.7150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7843 -2.2624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5673 -0.9052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0002 -0.9049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5681 -2.7149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3509 -2.2630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7833 -1.3578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7831 -2.2627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5669 -2.7153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5674 -0.0003 0.0000 C 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 -2.2289 0.6610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3928 -2.2387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0233 -2.8688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7548 -3.6006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 3 8 1 0 0 0 0 4 12 2 0 0 0 0 5 9 2 0 0 0 0 5 11 1 0 0 0 0 6 10 2 0 0 0 0 6 13 1 0 0 0 0 7 21 1 0 0 0 0 7 22 1 0 0 0 0 8 9 1 0 0 0 0 8 15 2 0 0 0 0 9 12 1 0 0 0 0 10 14 1 0 0 0 0 10 17 1 0 0 0 0 11 14 2 0 0 0 0 11 18 1 0 0 0 0 12 20 1 0 0 0 0 13 16 2 0 0 0 0 13 21 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 22 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	96710
ChEMBL	CHEMBL479127
ZINC

Physicochemical Properties

Molecular Weight:	293.07
ALogP:	-0.4361
MLogP:	2.78
XLogP:	2.816
# Rotatable Bonds:	3
Polar Surface Area:	60.28
# H-Bond Aceptor:	2
# H-Bond Donor:	1
# Rings:	5
# Heavy Atoms:	22

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