NPASS Natural Product

Natural Product: NPC27041

Natural Product ID:	NPC27041
Common Name:	Eudistomin Y1
IUPAC Name:	(4-hydroxyphenyl)-(9H-pyrido[3,4-b]indol-1-yl)methanone
Synonyms:	Eudistomin Y1
Molecular Formula:	C18H12N2O2
Standard InCHIKey:	DISBVDLVVUJENS-UHFFFAOYSA-N
Standard InCHI:	InChI=1S/C18H12N2O2/c21-12-7-5-11(6-8-12)18(22)17-16-14(9-10-19-17)13-3-1-2-4-15(13)20-16/h1-10,20-21H
Canonical SMILES:	Oc1ccc(cc1)C(=O)c1nccc2c1[nH]c1c2cccc1
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
NPO33386	eudistoma sp.	Species	Polycitoridae	Eukaryota		Korea		PMID[18247569]
NPO33080	synoicum sp.	Species	Polyclinidae	Eukaryota				PMID[22652254]

Biological Activity

Activity Type	# Activity
IC50	3
MIC	11
Others	1

Activity Type	# Activity
Cell Line	1
Individual Protein	2
Organism	11
Others	1

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT20	Organism	Candida albicans	Candida albicans	MIC	=	50	ug/ml	PubChem BioAssay data set
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MIC	>	100	ug/ml	8411013
NPT766	Organism	Proteus vulgaris	Proteus vulgaris	MIC	>	100	ug/ml	PubChem BioAssay data set
NPT1087	Individual Protein	Isocitrate lyase	Candida albicans	IC50	=	48200	nM	24099364
NPT330	Organism	Trichophyton mentagrophytes	Trichophyton mentagrophytes	MIC	=	100	ug/ml	12088423
NPT729	Organism	Micrococcus luteus	Micrococcus luteus	MIC	>	100	ug/ml	10.1016/0960-894X(95)00044-T
NPT329	Organism	Trichophyton rubrum	Trichophyton rubrum	MIC	=	50	ug/ml	24175613
NPT2	Others	Unspecified		IC50	>	346900	nM	14741254
NPT566	Organism	Salmonella typhimurium	Salmonella enterica subsp. enterica serovar Typhimurium	MIC	>	100	ug/ml	24273638
NPT1821	Individual Protein	Sortase	Staphylococcus aureus	IC50	>	346900	nM	15620238
NPT17	Organism	Staphylococcus epidermidis	Staphylococcus epidermidis	MIC	=	50	ug/ml	10091706
NPT19	Organism	Escherichia coli	Escherichia coli	MIC	>	100	ug/ml	17027268
NPT87	Organism	Aspergillus fumigatus	Aspergillus fumigatus	MIC	=	50	ug/ml	20570529
NPT79	Organism	Bacillus subtilis	Bacillus subtilis	MIC	>	100	ug/ml	PubChem BioAssay data set
NPT81	Cell Line	A549	Homo sapiens	LC50	=	59000	nM	22037378

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 NPC27041 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	385
0.1-0.2	2454
0.2-0.3	9866
0.3-0.4	5198
0.4-0.5	9740
0.5-0.6	1392
0.6-0.7	1359
0.7-0.8	442
0.8-0.85	36
0.85-0.9	9
0.9-0.95	8
0.95-1	0

Similarity Score	Similarity Level	Natural Product ID
0.9366	High Similarity	NPC279189
0.9366	High Similarity	NPC200553
0.9231	High Similarity	NPC162002
0.9183	High Similarity	NPC174489
0.9179	High Similarity	NPC207686
0.9095	High Similarity	NPC26641
0.9055	High Similarity	NPC322064
0.9009	High Similarity	NPC37152
0.8756	High Similarity	NPC324149
0.8606	High Similarity	NPC276657
0.8571	High Similarity	NPC229893
0.8571	High Similarity	NPC122436
0.8565	High Similarity	NPC235685
0.8558	High Similarity	NPC182222
0.8552	High Similarity	NPC91868
0.8552	High Similarity	NPC63971
0.8525	High Similarity	NPC101350
0.8442	Intermediate Similarity	NPC474916
0.8429	Intermediate Similarity	NPC323969
0.8387	Intermediate Similarity	NPC97902
0.8378	Intermediate Similarity	NPC178858
0.8374	Intermediate Similarity	NPC470500
0.8357	Intermediate Similarity	NPC110182
0.8333	Intermediate Similarity	NPC175602
0.8333	Intermediate Similarity	NPC326422
0.83	Intermediate Similarity	NPC74153
0.829	Intermediate Similarity	NPC191415
0.8269	Intermediate Similarity	NPC219087
0.8252	Intermediate Similarity	NPC171787
0.8249	Intermediate Similarity	NPC260434
0.8241	Intermediate Similarity	NPC473821
0.8213	Intermediate Similarity	NPC61038
0.8204	Intermediate Similarity	NPC183777
0.8195	Intermediate Similarity	NPC472259
0.8182	Intermediate Similarity	NPC477549
0.8178	Intermediate Similarity	NPC220851
0.8164	Intermediate Similarity	NPC266249
0.813	Intermediate Similarity	NPC63109
0.8107	Intermediate Similarity	NPC475070
0.8086	Intermediate Similarity	NPC123839
0.8075	Intermediate Similarity	NPC264285
0.8061	Intermediate Similarity	NPC102755
0.8058	Intermediate Similarity	NPC317701
0.8057	Intermediate Similarity	NPC207866
0.8052	Intermediate Similarity	NPC258048
0.8049	Intermediate Similarity	NPC471944
0.8037	Intermediate Similarity	NPC269270
0.803	Intermediate Similarity	NPC78767
0.803	Intermediate Similarity	NPC473814
0.8029	Intermediate Similarity	NPC270918
0.8017	Intermediate Similarity	NPC74619
0.8	Intermediate Similarity	NPC14686
0.8	Intermediate Similarity	NPC5145
0.799	Intermediate Similarity	NPC278434
0.7971	Intermediate Similarity	NPC53144
0.7953	Intermediate Similarity	NPC74360
0.7934	Intermediate Similarity	NPC237740
0.7931	Intermediate Similarity	NPC93390
0.7923	Intermediate Similarity	NPC57398
0.7921	Intermediate Similarity	NPC99666
0.791	Intermediate Similarity	NPC324091
0.7902	Intermediate Similarity	NPC192315
0.788	Intermediate Similarity	NPC60621
0.7876	Intermediate Similarity	NPC148889
0.787	Intermediate Similarity	NPC213530
0.787	Intermediate Similarity	NPC193267
0.7864	Intermediate Similarity	NPC81535
0.7864	Intermediate Similarity	NPC476167
0.786	Intermediate Similarity	NPC469727
0.7857	Intermediate Similarity	NPC284775
0.7854	Intermediate Similarity	NPC141454
0.7844	Intermediate Similarity	NPC16352
0.784	Intermediate Similarity	NPC118940
0.7837	Intermediate Similarity	NPC211813
0.7826	Intermediate Similarity	NPC45459
0.7826	Intermediate Similarity	NPC315491
0.7799	Intermediate Similarity	NPC200836
0.7793	Intermediate Similarity	NPC82370
0.7778	Intermediate Similarity	NPC53534
0.7778	Intermediate Similarity	NPC237414
0.7767	Intermediate Similarity	NPC90229
0.7763	Intermediate Similarity	NPC470501
0.7746	Intermediate Similarity	NPC309845
0.7746	Intermediate Similarity	NPC85273
0.7743	Intermediate Similarity	NPC15801
0.774	Intermediate Similarity	NPC213308
0.7738	Intermediate Similarity	NPC319232
0.7738	Intermediate Similarity	NPC24370
0.7734	Intermediate Similarity	NPC154339
0.7723	Intermediate Similarity	NPC46580
0.7717	Intermediate Similarity	NPC470502
0.7716	Intermediate Similarity	NPC151635
0.7714	Intermediate Similarity	NPC165599
0.7713	Intermediate Similarity	NPC326363
0.7711	Intermediate Similarity	NPC295158
0.77	Intermediate Similarity	NPC48938
0.7696	Intermediate Similarity	NPC476460
0.7696	Intermediate Similarity	NPC304926
0.7696	Intermediate Similarity	NPC476041
0.7695	Intermediate Similarity	NPC77101
0.7681	Intermediate Similarity	NPC167710
0.7681	Intermediate Similarity	NPC227582
0.7678	Intermediate Similarity	NPC132539
0.7673	Intermediate Similarity	NPC62749
0.767	Intermediate Similarity	NPC202812
0.7664	Intermediate Similarity	NPC123976
0.7664	Intermediate Similarity	NPC167860
0.7655	Intermediate Similarity	NPC325976
0.7647	Intermediate Similarity	NPC470503
0.7644	Intermediate Similarity	NPC131887
0.7633	Intermediate Similarity	NPC102592
0.7633	Intermediate Similarity	NPC79356
0.7632	Intermediate Similarity	NPC41679
0.763	Intermediate Similarity	NPC476098
0.763	Intermediate Similarity	NPC134848
0.7624	Intermediate Similarity	NPC314002
0.7621	Intermediate Similarity	NPC267343
0.7621	Intermediate Similarity	NPC304203
0.7619	Intermediate Similarity	NPC232727
0.7614	Intermediate Similarity	NPC252572
0.7612	Intermediate Similarity	NPC220765
0.761	Intermediate Similarity	NPC138370
0.7606	Intermediate Similarity	NPC244741
0.76	Intermediate Similarity	NPC477112
0.7596	Intermediate Similarity	NPC156704
0.7596	Intermediate Similarity	NPC77555
0.7593	Intermediate Similarity	NPC471603
0.7589	Intermediate Similarity	NPC66777
0.7583	Intermediate Similarity	NPC152620
0.7574	Intermediate Similarity	NPC204717
0.7571	Intermediate Similarity	NPC252338
0.757	Intermediate Similarity	NPC116555
0.7566	Intermediate Similarity	NPC196718
0.7561	Intermediate Similarity	NPC83111
0.7547	Intermediate Similarity	NPC223427
0.7543	Intermediate Similarity	NPC208522
0.7534	Intermediate Similarity	NPC472285
0.7533	Intermediate Similarity	NPC323752
0.7532	Intermediate Similarity	NPC295452
0.7532	Intermediate Similarity	NPC171393
0.7523	Intermediate Similarity	NPC477979
0.7522	Intermediate Similarity	NPC119006
0.7512	Intermediate Similarity	NPC221873
0.7512	Intermediate Similarity	NPC471193
0.7512	Intermediate Similarity	NPC471194
0.7511	Intermediate Similarity	NPC471762
0.7511	Intermediate Similarity	NPC184225
0.75	Intermediate Similarity	NPC171171
0.75	Intermediate Similarity	NPC96890
0.75	Intermediate Similarity	NPC276517
0.749	Intermediate Similarity	NPC216369
0.7489	Intermediate Similarity	NPC102593
0.7489	Intermediate Similarity	NPC132329
0.7489	Intermediate Similarity	NPC330009
0.7489	Intermediate Similarity	NPC165964
0.7488	Intermediate Similarity	NPC47190
0.7488	Intermediate Similarity	NPC19872
0.7488	Intermediate Similarity	NPC176538
0.7488	Intermediate Similarity	NPC86834
0.7488	Intermediate Similarity	NPC39679
0.7488	Intermediate Similarity	NPC210828
0.7488	Intermediate Similarity	NPC477003
0.7477	Intermediate Similarity	NPC473317
0.7476	Intermediate Similarity	NPC306376
0.7466	Intermediate Similarity	NPC48317
0.7465	Intermediate Similarity	NPC23294
0.7463	Intermediate Similarity	NPC206186
0.7457	Intermediate Similarity	NPC473312
0.7455	Intermediate Similarity	NPC476818
0.7451	Intermediate Similarity	NPC133003
0.7442	Intermediate Similarity	NPC88008
0.7442	Intermediate Similarity	NPC193238
0.7431	Intermediate Similarity	NPC12344
0.743	Intermediate Similarity	NPC285558
0.743	Intermediate Similarity	NPC470505
0.7426	Intermediate Similarity	NPC271792
0.7419	Intermediate Similarity	NPC303951
0.7413	Intermediate Similarity	NPC184964
0.7404	Intermediate Similarity	NPC56170
0.7397	Intermediate Similarity	NPC89508
0.7397	Intermediate Similarity	NPC236668
0.7391	Intermediate Similarity	NPC295228
0.7391	Intermediate Similarity	NPC35042
0.7389	Intermediate Similarity	NPC157931
0.7389	Intermediate Similarity	NPC478078
0.7389	Intermediate Similarity	NPC74575
0.7385	Intermediate Similarity	NPC72956
0.7385	Intermediate Similarity	NPC131718
0.7381	Intermediate Similarity	NPC128244
0.7378	Intermediate Similarity	NPC125597
0.7376	Intermediate Similarity	NPC312645
0.7373	Intermediate Similarity	NPC174758
0.7366	Intermediate Similarity	NPC216612
0.7364	Intermediate Similarity	NPC146976
0.7361	Intermediate Similarity	NPC283117
0.7358	Intermediate Similarity	NPC74413
0.7357	Intermediate Similarity	NPC194740
0.7353	Intermediate Similarity	NPC243058
0.7352	Intermediate Similarity	NPC153980
0.7352	Intermediate Similarity	NPC6865

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC27041 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	247
0.1-0.2	666
0.2-0.3	974
0.3-0.4	1144
0.4-0.5	2800
0.5-0.6	1979
0.6-0.7	1214
0.7-0.8	134
0.8-0.85	3
0.85-0.9	0
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.8075	Intermediate Similarity	NPD8405	Clinical (unspecified phase)
0.8028	Intermediate Similarity	NPD4845	Discontinued
0.8009	Intermediate Similarity	NPD5040	Clinical (unspecified phase)
0.7941	Intermediate Similarity	NPD7948	Phase 1
0.79	Intermediate Similarity	NPD7603	Discontinued
0.7826	Intermediate Similarity	NPD484	Approved
0.7773	Intermediate Similarity	NPD5483	Clinical (unspecified phase)
0.7762	Intermediate Similarity	NPD5901	Discontinued
0.7707	Intermediate Similarity	NPD5575	Clinical (unspecified phase)
0.7675	Intermediate Similarity	NPD2921	Clinical (unspecified phase)
0.7671	Intermediate Similarity	NPD6242	Discontinued
0.7665	Intermediate Similarity	NPD5065	Approved
0.7653	Intermediate Similarity	NPD6376	Discontinued
0.765	Intermediate Similarity	NPD3393	Approved
0.765	Intermediate Similarity	NPD3389	Approved
0.765	Intermediate Similarity	NPD3394	Approved
0.7639	Intermediate Similarity	NPD5482	Discontinued
0.763	Intermediate Similarity	NPD2121	Clinical (unspecified phase)
0.7606	Intermediate Similarity	NPD6838	Clinical (unspecified phase)
0.757	Intermediate Similarity	NPD2509	Approved
0.757	Intermediate Similarity	NPD2510	Approved
0.7543	Intermediate Similarity	NPD3962	Phase 2
0.7543	Intermediate Similarity	NPD3959	Phase 2
0.7511	Intermediate Similarity	NPD4958	Clinical (unspecified phase)
0.75	Intermediate Similarity	NPD4429	Discontinued
0.7478	Intermediate Similarity	NPD5801	Clinical (unspecified phase)
0.7458	Intermediate Similarity	NPD6531	Approved
0.7458	Intermediate Similarity	NPD6530	Approved
0.7389	Intermediate Similarity	NPD7994	Phase 2
0.7389	Intermediate Similarity	NPD3178	Discontinued
0.7385	Intermediate Similarity	NPD7927	Clinical (unspecified phase)
0.7379	Intermediate Similarity	NPD4948	Discontinued
0.7373	Intermediate Similarity	NPD4558	Phase 2
0.7353	Intermediate Similarity	NPD5728	Clinical (unspecified phase)
0.7325	Intermediate Similarity	NPD5022	Discontinued
0.7324	Intermediate Similarity	NPD8248	Clinical (unspecified phase)
0.7318	Intermediate Similarity	NPD3795	Approved
0.7318	Intermediate Similarity	NPD3794	Approved
0.7318	Intermediate Similarity	NPD3243	Approved
0.7306	Intermediate Similarity	NPD5475	Discontinued
0.7297	Intermediate Similarity	NPD7823	Clinical (unspecified phase)
0.7277	Intermediate Similarity	NPD6999	Discontinued
0.7277	Intermediate Similarity	NPD5827	Discontinued
0.7277	Intermediate Similarity	NPD7000	Clinical (unspecified phase)
0.7273	Intermediate Similarity	NPD8093	Discontinued
0.7269	Intermediate Similarity	NPD5426	Phase 3
0.7265	Intermediate Similarity	NPD6790	Phase 1
0.7265	Intermediate Similarity	NPD5450	Discontinued
0.7252	Intermediate Similarity	NPD6803	Clinical (unspecified phase)
0.7246	Intermediate Similarity	NPD4426	Clinical (unspecified phase)
0.7241	Intermediate Similarity	NPD7853	Phase 2
0.7237	Intermediate Similarity	NPD6165	Phase 2
0.7237	Intermediate Similarity	NPD6164	Phase 2
0.7233	Intermediate Similarity	NPD6178	Phase 3
0.7231	Intermediate Similarity	NPD8091	Phase 3
0.7228	Intermediate Similarity	NPD482	Approved
0.7227	Intermediate Similarity	NPD5416	Discontinued
0.722	Intermediate Similarity	NPD4989	Phase 2
0.7206	Intermediate Similarity	NPD7393	Clinical (unspecified phase)
0.7204	Intermediate Similarity	NPD460	Discontinued
0.7197	Intermediate Similarity	NPD6525	Clinical (unspecified phase)
0.7196	Intermediate Similarity	NPD6137	Clinical (unspecified phase)
0.7193	Intermediate Similarity	NPD8289	Discontinued
0.7192	Intermediate Similarity	NPD749	Clinical (unspecified phase)
0.719	Intermediate Similarity	NPD5592	Clinical (unspecified phase)
0.7189	Intermediate Similarity	NPD6987	Phase 1
0.7186	Intermediate Similarity	NPD3960	Clinical (unspecified phase)
0.7184	Intermediate Similarity	NPD2092	Phase 2
0.7184	Intermediate Similarity	NPD2095	Phase 2
0.7184	Intermediate Similarity	NPD2094	Phase 2
0.7182	Intermediate Similarity	NPD7998	Clinical (unspecified phase)
0.7176	Intermediate Similarity	NPD6975	Discontinued
0.7175	Intermediate Similarity	NPD5612	Discontinued
0.7174	Intermediate Similarity	NPD5479	Discontinued
0.717	Intermediate Similarity	NPD7619	Phase 3
0.717	Intermediate Similarity	NPD7618	Phase 3
0.7169	Intermediate Similarity	NPD7665	Phase 2
0.7169	Intermediate Similarity	NPD7666	Phase 3
0.7167	Intermediate Similarity	NPD3006	Discontinued
0.7162	Intermediate Similarity	NPD8094	Discontinued
0.7156	Intermediate Similarity	NPD4922	Phase 2
0.7156	Intermediate Similarity	NPD2008	Discontinued
0.7156	Intermediate Similarity	NPD7203	Clinical (unspecified phase)
0.7155	Intermediate Similarity	NPD4850	Phase 1
0.715	Intermediate Similarity	NPD2096	Phase 2
0.715	Intermediate Similarity	NPD425	Approved
0.715	Intermediate Similarity	NPD424	Approved
0.715	Intermediate Similarity	NPD2091	Phase 2
0.715	Intermediate Similarity	NPD3607	Clinical (unspecified phase)
0.7149	Intermediate Similarity	NPD7586	Clinical (unspecified phase)
0.7143	Intermediate Similarity	NPD3326	Clinical (unspecified phase)
0.713	Intermediate Similarity	NPD5417	Clinical (unspecified phase)
0.713	Intermediate Similarity	NPD4511	Phase 1
0.7124	Intermediate Similarity	NPD2951	Discontinued
0.7123	Intermediate Similarity	NPD1038	Approved
0.7117	Intermediate Similarity	NPD2411	Approved
0.7117	Intermediate Similarity	NPD3330	Phase 1
0.7114	Intermediate Similarity	NPD2781	Approved
0.711	Intermediate Similarity	NPD6288	Clinical (unspecified phase)
0.7109	Intermediate Similarity	NPD2336	Approved
0.7104	Intermediate Similarity	NPD4051	Discontinued
0.71	Intermediate Similarity	NPD2782	Approved
0.71	Intermediate Similarity	NPD2780	Approved
0.7097	Intermediate Similarity	NPD7187	Phase 2
0.7089	Intermediate Similarity	NPD5975	Clinical (unspecified phase)
0.7087	Intermediate Similarity	NPD2479	Phase 3
0.7087	Intermediate Similarity	NPD2481	Approved
0.708	Intermediate Similarity	NPD7404	Approved
0.7078	Intermediate Similarity	NPD4862	Clinical (unspecified phase)
0.7072	Intermediate Similarity	NPD4614	Clinical (unspecified phase)
0.7072	Intermediate Similarity	NPD6567	Clinical (unspecified phase)
0.707	Intermediate Similarity	NPD4987	Clinical (unspecified phase)
0.7061	Intermediate Similarity	NPD6824	Clinical (unspecified phase)
0.7061	Intermediate Similarity	NPD8356	Approved
0.7059	Intermediate Similarity	NPD1600	Suspended
0.7059	Intermediate Similarity	NPD4883	Approved
0.7056	Intermediate Similarity	NPD4848	Phase 1
0.7053	Intermediate Similarity	NPD1783	Clinical (unspecified phase)
0.7052	Intermediate Similarity	NPD7689	Approved
0.7051	Intermediate Similarity	NPD5017	Discontinued
0.7048	Intermediate Similarity	NPD6141	Clinical (unspecified phase)
0.7048	Intermediate Similarity	NPD3280	Approved
0.7042	Intermediate Similarity	NPD802	Phase 2
0.7039	Intermediate Similarity	NPD3746	Discontinued
0.7033	Intermediate Similarity	NPD6344	Clinical (unspecified phase)
0.7032	Intermediate Similarity	NPD3947	Discontinued
0.7032	Intermediate Similarity	NPD6138	Clinical (unspecified phase)
0.7031	Intermediate Similarity	NPD7547	Clinical (unspecified phase)
0.7031	Intermediate Similarity	NPD6173	Approved
0.7031	Intermediate Similarity	NPD3222	Phase 2
0.7028	Intermediate Similarity	NPD6180	Clinical (unspecified phase)
0.7022	Intermediate Similarity	NPD2412	Clinical (unspecified phase)
0.7014	Intermediate Similarity	NPD2916	Discontinued
0.7013	Intermediate Similarity	NPD3259	Approved
0.7013	Intermediate Similarity	NPD8430	Approved
0.7009	Intermediate Similarity	NPD7558	Phase 2
0.7005	Intermediate Similarity	NPD5473	Discontinued
0.6996	Remote Similarity	NPD7470	Discontinued
0.6995	Remote Similarity	NPD4376	Phase 3
0.6986	Remote Similarity	NPD1096	Discontinued
0.6978	Remote Similarity	NPD5293	Phase 2
0.6977	Remote Similarity	NPD2307	Discontinued
0.6974	Remote Similarity	NPD1996	Discontinued
0.6971	Remote Similarity	NPD7414	Clinical (unspecified phase)
0.6966	Remote Similarity	NPD5151	Clinical (unspecified phase)
0.6964	Remote Similarity	NPD7594	Clinical (unspecified phase)
0.6963	Remote Similarity	NPD1304	Clinical (unspecified phase)
0.696	Remote Similarity	NPD7878	Phase 2
0.696	Remote Similarity	NPD7395	Discontinued
0.6959	Remote Similarity	NPD3825	Phase 3
0.6959	Remote Similarity	NPD3814	Phase 1
0.6957	Remote Similarity	NPD5398	Clinical (unspecified phase)
0.6957	Remote Similarity	NPD6752	Phase 1
0.6957	Remote Similarity	NPD6753	Phase 1
0.6955	Remote Similarity	NPD2721	Clinical (unspecified phase)
0.6952	Remote Similarity	NPD6610	Clinical (unspecified phase)
0.6947	Remote Similarity	NPD2433	Clinical (unspecified phase)
0.6941	Remote Similarity	NPD3931	Approved
0.6941	Remote Similarity	NPD3928	Approved
0.6937	Remote Similarity	NPD7947	Clinical (unspecified phase)
0.6936	Remote Similarity	NPD7415	Suspended
0.6936	Remote Similarity	NPD6741	Clinical (unspecified phase)
0.6936	Remote Similarity	NPD4373	Phase 2
0.6932	Remote Similarity	NPD7924	Phase 2
0.6932	Remote Similarity	NPD7925	Phase 2
0.6927	Remote Similarity	NPD750	Phase 2
0.6923	Remote Similarity	NPD6595	Phase 3
0.6923	Remote Similarity	NPD1291	Clinical (unspecified phase)
0.6923	Remote Similarity	NPD6732	Clinical (unspecified phase)
0.6923	Remote Similarity	NPD7001	Phase 3
0.6923	Remote Similarity	NPD2715	Clinical (unspecified phase)
0.692	Remote Similarity	NPD5066	Phase 2
0.692	Remote Similarity	NPD5067	Phase 2
0.692	Remote Similarity	NPD3779	Clinical (unspecified phase)
0.6916	Remote Similarity	NPD3404	Approved
0.6909	Remote Similarity	NPD6176	Phase 1
0.6909	Remote Similarity	NPD4886	Phase 2
0.6908	Remote Similarity	NPD8349	Phase 1
0.6908	Remote Similarity	NPD6159	Phase 2
0.6905	Remote Similarity	NPD7564	Discontinued
0.69	Remote Similarity	NPD5850	Phase 3
0.6898	Remote Similarity	NPD4926	Clinical (unspecified phase)
0.6898	Remote Similarity	NPD5512	Phase 3
0.6898	Remote Similarity	NPD2311	Clinical (unspecified phase)
0.6894	Remote Similarity	NPD4885	Approved
0.6892	Remote Similarity	NPD1506	Discontinued
0.6892	Remote Similarity	NPD3905	Phase 3
0.689	Remote Similarity	NPD4011	Clinical (unspecified phase)
0.6889	Remote Similarity	NPD7069	Discontinued
0.6886	Remote Similarity	NPD5632	Approved
0.688	Remote Similarity	NPD4952	Phase 3
0.6878	Remote Similarity	NPD7712	Clinical (unspecified phase)
0.6875	Remote Similarity	NPD3914	Clinical (unspecified phase)
0.6867	Remote Similarity	NPD7268	Clinical (unspecified phase)
0.6863	Remote Similarity	NPD5069	Clinical (unspecified phase)
0.6861	Remote Similarity	NPD2442	Approved
0.6861	Remote Similarity	NPD2443	Approved
0.6861	Remote Similarity	NPD5658	Approved
0.6853	Remote Similarity	NPD7269	Clinical (unspecified phase)
0.6852	Remote Similarity	NPD7944	Discontinued

Structure

NPC27041 OpenBabel07101718332D 22 25 0 0 0 0 0 0 0 0999 V2000 4.0575 2.3736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6508 3.2872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4697 1.5646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6562 3.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 4.0000 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 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4752 1.6691 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 2.0685 2.5827 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 -0.0000 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 -0.0000 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0739 2.4781 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 5.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 1.0000 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 4 1 0 0 0 0 3 13 2 0 0 0 0 4 15 2 0 0 0 0 5 7 1 0 0 0 0 5 11 2 0 0 0 0 6 8 2 0 0 0 0 6 11 1 0 0 0 0 7 12 2 0 0 0 0 8 12 1 0 0 0 0 9 10 2 0 0 0 0 9 14 1 0 0 0 0 10 19 1 0 0 0 0 11 18 1 0 0 0 0 12 21 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 14 16 2 0 0 0 0 15 20 1 0 0 0 0 16 17 1 0 0 0 0 16 20 1 0 0 0 0 17 18 1 0 0 0 0 17 19 2 0 0 0 0 18 22 2 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	24800709
ChEMBL	CHEMBL403176
ZINC

Physicochemical Properties

Molecular Weight:	288.09
ALogP:	-1.1445
MLogP:	3
XLogP:	3.94
# Rotatable Bonds:	3
Polar Surface Area:	65.98
# H-Bond Aceptor:	3
# H-Bond Donor:	2
# Rings:	4
# Heavy Atoms:	22

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