NPASS Natural Product

Natural Product: NPC471192

Natural Product ID:	NPC471192
Common Name:	3-Hydroxyglyantrypine
IUPAC Name:	(1S,4R)-1-hydroxy-4-(1H-indol-3-ylmethyl)-2,4-dihydro-1H-pyrazino[2,1-b]quinazoline-3,6-dione
Synonyms:
Molecular Formula:	C20H16N4O3
Standard InCHIKey:	YMSZGOBWCXGQOE-APWZRJJASA-N
Standard InCHI:	InChI=1S/C20H16N4O3/c25-18-16(9-11-10-21-14-7-3-1-5-12(11)14)24-17(19(26)23-18)22-15-8-4-2-6-13(15)20(24)27/h1-8,10,16,19,21,26H,9H2,(H,23,25)/t16-,19+/m1/s1
Canonical SMILES:	OC1=N[C@@H](O)c2n([C@@H]1Cc1c[nH]c3c1cccc3)c(=O)c1c(n2)cccc1
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
NPO33176	cladosporium sp.	Species	Cladosporiaceae	Eukaryota				PMID[23758051]

Biological Activity

Activity Type	# Activity
IC50	1

Activity Type	# Activity
Organism	1

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT742	Organism	Influenza A virus	Influenza A virus	IC50	=	100000	nM	22548480

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 NPC471192 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	329
0.1-0.2	2175
0.2-0.3	10927
0.3-0.4	12813
0.4-0.5	1675
0.5-0.6	1464
0.6-0.7	1108
0.7-0.8	382
0.8-0.85	10
0.85-0.9	0
0.9-0.95	1
0.95-1	5

Similarity Score	Similarity Level	Natural Product ID
0.9791	High Similarity	NPC72956
0.974	High Similarity	NPC153980
0.974	High Similarity	NPC6865
0.9637	High Similarity	NPC471194
0.9637	High Similarity	NPC471193
0.9128	High Similarity	NPC471191
0.8342	Intermediate Similarity	NPC21429
0.8214	Intermediate Similarity	NPC17059
0.8163	Intermediate Similarity	NPC94752
0.8154	Intermediate Similarity	NPC228835
0.8152	Intermediate Similarity	NPC477715
0.8113	Intermediate Similarity	NPC477714
0.8093	Intermediate Similarity	NPC88110
0.8068	Intermediate Similarity	NPC54420
0.8058	Intermediate Similarity	NPC473376
0.8041	Intermediate Similarity	NPC11126
0.799	Intermediate Similarity	NPC478158
0.799	Intermediate Similarity	NPC213629
0.799	Intermediate Similarity	NPC162860
0.7962	Intermediate Similarity	NPC75634
0.7958	Intermediate Similarity	NPC63751
0.795	Intermediate Similarity	NPC154339
0.7925	Intermediate Similarity	NPC54744
0.7915	Intermediate Similarity	NPC320968
0.7887	Intermediate Similarity	NPC478157
0.7879	Intermediate Similarity	NPC477003
0.7879	Intermediate Similarity	NPC165495
0.786	Intermediate Similarity	NPC281049
0.7854	Intermediate Similarity	NPC473640
0.7839	Intermediate Similarity	NPC99939
0.7839	Intermediate Similarity	NPC308931
0.7833	Intermediate Similarity	NPC267343
0.7826	Intermediate Similarity	NPC471944
0.7826	Intermediate Similarity	NPC475506
0.7816	Intermediate Similarity	NPC100321
0.7812	Intermediate Similarity	NPC54988
0.7812	Intermediate Similarity	NPC477549
0.7811	Intermediate Similarity	NPC321708
0.7806	Intermediate Similarity	NPC59269
0.7798	Intermediate Similarity	NPC220851
0.7794	Intermediate Similarity	NPC294693
0.7788	Intermediate Similarity	NPC155143
0.7778	Intermediate Similarity	NPC470497
0.7767	Intermediate Similarity	NPC171317
0.7767	Intermediate Similarity	NPC470499
0.7758	Intermediate Similarity	NPC89987
0.775	Intermediate Similarity	NPC15102
0.775	Intermediate Similarity	NPC133003
0.7734	Intermediate Similarity	NPC476460
0.7729	Intermediate Similarity	NPC293917
0.7727	Intermediate Similarity	NPC91179
0.772	Intermediate Similarity	NPC49954
0.772	Intermediate Similarity	NPC474561
0.7711	Intermediate Similarity	NPC17273
0.7711	Intermediate Similarity	NPC135601
0.7711	Intermediate Similarity	NPC141612
0.7707	Intermediate Similarity	NPC202812
0.7704	Intermediate Similarity	NPC149155
0.7704	Intermediate Similarity	NPC203468
0.7704	Intermediate Similarity	NPC110500
0.7696	Intermediate Similarity	NPC279918
0.7682	Intermediate Similarity	NPC64216
0.7677	Intermediate Similarity	NPC248041
0.7677	Intermediate Similarity	NPC283219
0.7677	Intermediate Similarity	NPC126709
0.7667	Intermediate Similarity	NPC317701
0.7665	Intermediate Similarity	NPC267885
0.7658	Intermediate Similarity	NPC157931
0.7656	Intermediate Similarity	NPC300183
0.7656	Intermediate Similarity	NPC282231
0.7653	Intermediate Similarity	NPC223791
0.7653	Intermediate Similarity	NPC107077
0.7647	Intermediate Similarity	NPC117244
0.7647	Intermediate Similarity	NPC473763
0.7633	Intermediate Similarity	NPC227582
0.7626	Intermediate Similarity	NPC284775
0.7626	Intermediate Similarity	NPC145885
0.7626	Intermediate Similarity	NPC14113
0.7626	Intermediate Similarity	NPC84827
0.7623	Intermediate Similarity	NPC471762
0.7619	Intermediate Similarity	NPC476874
0.7602	Intermediate Similarity	NPC229893
0.76	Intermediate Similarity	NPC233936
0.759	Intermediate Similarity	NPC78020
0.7581	Intermediate Similarity	NPC54981
0.7577	Intermediate Similarity	NPC42372
0.7562	Intermediate Similarity	NPC470205
0.756	Intermediate Similarity	NPC106118
0.7546	Intermediate Similarity	NPC31385
0.7546	Intermediate Similarity	NPC75726
0.7546	Intermediate Similarity	NPC110602
0.7538	Intermediate Similarity	NPC160105
0.7537	Intermediate Similarity	NPC235684
0.7534	Intermediate Similarity	NPC24370
0.7534	Intermediate Similarity	NPC319232
0.7526	Intermediate Similarity	NPC194640
0.7524	Intermediate Similarity	NPC252338
0.7512	Intermediate Similarity	NPC131887
0.7511	Intermediate Similarity	NPC477175
0.7511	Intermediate Similarity	NPC470730
0.75	Intermediate Similarity	NPC257851
0.75	Intermediate Similarity	NPC278434
0.75	Intermediate Similarity	NPC469762
0.75	Intermediate Similarity	NPC213468
0.75	Intermediate Similarity	NPC476491
0.7489	Intermediate Similarity	NPC472285
0.7478	Intermediate Similarity	NPC475969
0.7478	Intermediate Similarity	NPC475859
0.7477	Intermediate Similarity	NPC470786
0.7477	Intermediate Similarity	NPC471155
0.7475	Intermediate Similarity	NPC163055
0.7475	Intermediate Similarity	NPC102755
0.7467	Intermediate Similarity	NPC66777
0.7465	Intermediate Similarity	NPC470702
0.7465	Intermediate Similarity	NPC473218
0.7464	Intermediate Similarity	NPC167710
0.7463	Intermediate Similarity	NPC16659
0.7449	Intermediate Similarity	NPC114637
0.7448	Intermediate Similarity	NPC469785
0.7445	Intermediate Similarity	NPC165743
0.7443	Intermediate Similarity	NPC470731
0.7442	Intermediate Similarity	NPC270241
0.7442	Intermediate Similarity	NPC71238
0.744	Intermediate Similarity	NPC477167
0.744	Intermediate Similarity	NPC473342
0.7437	Intermediate Similarity	NPC293216
0.7434	Intermediate Similarity	NPC470729
0.7434	Intermediate Similarity	NPC477176
0.7431	Intermediate Similarity	NPC470703
0.743	Intermediate Similarity	NPC225400
0.7427	Intermediate Similarity	NPC324091
0.7426	Intermediate Similarity	NPC314882
0.7419	Intermediate Similarity	NPC82370
0.7413	Intermediate Similarity	NPC55772
0.7413	Intermediate Similarity	NPC265710
0.7404	Intermediate Similarity	NPC304203
0.7404	Intermediate Similarity	NPC326422
0.7401	Intermediate Similarity	NPC477177
0.7401	Intermediate Similarity	NPC474877
0.7395	Intermediate Similarity	NPC472538
0.7393	Intermediate Similarity	NPC477004
0.7393	Intermediate Similarity	NPC74413
0.7391	Intermediate Similarity	NPC243716
0.7387	Intermediate Similarity	NPC314603
0.7375	Intermediate Similarity	NPC478006
0.7374	Intermediate Similarity	NPC471943
0.7373	Intermediate Similarity	NPC123839
0.7371	Intermediate Similarity	NPC193761
0.7368	Intermediate Similarity	NPC19692
0.7368	Intermediate Similarity	NPC220151
0.7366	Intermediate Similarity	NPC474707
0.7366	Intermediate Similarity	NPC315555
0.7366	Intermediate Similarity	NPC62749
0.7366	Intermediate Similarity	NPC476817
0.7364	Intermediate Similarity	NPC470732
0.7363	Intermediate Similarity	NPC111275
0.7363	Intermediate Similarity	NPC68354
0.7363	Intermediate Similarity	NPC183662
0.7363	Intermediate Similarity	NPC15573
0.7363	Intermediate Similarity	NPC217372
0.7363	Intermediate Similarity	NPC248454
0.7361	Intermediate Similarity	NPC266249
0.7357	Intermediate Similarity	NPC69843
0.7357	Intermediate Similarity	NPC326363
0.7352	Intermediate Similarity	NPC282247
0.7346	Intermediate Similarity	NPC474916
0.7343	Intermediate Similarity	NPC472112
0.734	Intermediate Similarity	NPC191415
0.734	Intermediate Similarity	NPC71037
0.7336	Intermediate Similarity	NPC63279
0.7336	Intermediate Similarity	NPC323752
0.7333	Intermediate Similarity	NPC11445
0.733	Intermediate Similarity	NPC317030
0.733	Intermediate Similarity	NPC204565
0.7327	Intermediate Similarity	NPC219336
0.7323	Intermediate Similarity	NPC201700
0.7315	Intermediate Similarity	NPC323927
0.7313	Intermediate Similarity	NPC56109
0.7313	Intermediate Similarity	NPC191382
0.7311	Intermediate Similarity	NPC201266
0.7311	Intermediate Similarity	NPC220797
0.7311	Intermediate Similarity	NPC268744
0.7311	Intermediate Similarity	NPC474318
0.7311	Intermediate Similarity	NPC153123
0.7311	Intermediate Similarity	NPC475914
0.7308	Intermediate Similarity	NPC138370
0.7306	Intermediate Similarity	NPC118940
0.7306	Intermediate Similarity	NPC219087
0.7304	Intermediate Similarity	NPC297642
0.7299	Intermediate Similarity	NPC471199
0.7299	Intermediate Similarity	NPC262898
0.7295	Intermediate Similarity	NPC175474
0.7295	Intermediate Similarity	NPC65215
0.7295	Intermediate Similarity	NPC221873
0.7295	Intermediate Similarity	NPC173028
0.729	Intermediate Similarity	NPC476073
0.729	Intermediate Similarity	NPC260900
0.7286	Intermediate Similarity	NPC157828
0.7286	Intermediate Similarity	NPC195239
0.7282	Intermediate Similarity	NPC230869

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC471192 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	202
0.1-0.2	551
0.2-0.3	993
0.3-0.4	1843
0.4-0.5	2188
0.5-0.6	2046
0.6-0.7	1113
0.7-0.8	221
0.8-0.85	4
0.85-0.9	0
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.8213	Intermediate Similarity	NPD7998	Clinical (unspecified phase)
0.8155	Intermediate Similarity	NPD8493	Clinical (unspecified phase)
0.8048	Intermediate Similarity	NPD7594	Clinical (unspecified phase)
0.8038	Intermediate Similarity	NPD6204	Clinical (unspecified phase)
0.7952	Intermediate Similarity	NPD7809	Clinical (unspecified phase)
0.7915	Intermediate Similarity	NPD8013	Clinical (unspecified phase)
0.7913	Intermediate Similarity	NPD7817	Phase 1
0.7897	Intermediate Similarity	NPD8000	Clinical (unspecified phase)
0.7897	Intermediate Similarity	NPD8406	Clinical (unspecified phase)
0.7885	Intermediate Similarity	NPD5901	Discontinued
0.7882	Intermediate Similarity	NPD7944	Discontinued
0.7882	Intermediate Similarity	NPD7619	Phase 3
0.7882	Intermediate Similarity	NPD7618	Phase 3
0.7822	Intermediate Similarity	NPD6180	Clinical (unspecified phase)
0.781	Intermediate Similarity	NPD6838	Clinical (unspecified phase)
0.7805	Intermediate Similarity	NPD6664	Approved
0.7804	Intermediate Similarity	NPD8112	Clinical (unspecified phase)
0.7783	Intermediate Similarity	NPD4922	Phase 2
0.7761	Intermediate Similarity	NPD3961	Discontinued
0.774	Intermediate Similarity	NPD7903	Clinical (unspecified phase)
0.7738	Intermediate Similarity	NPD6164	Phase 2
0.7738	Intermediate Similarity	NPD6165	Phase 2
0.7729	Intermediate Similarity	NPD7621	Clinical (unspecified phase)
0.7727	Intermediate Similarity	NPD6595	Phase 3
0.7714	Intermediate Similarity	NPD8272	Phase 2
0.7704	Intermediate Similarity	NPD482	Approved
0.7664	Intermediate Similarity	NPD7470	Discontinued
0.765	Intermediate Similarity	NPD2094	Phase 2
0.765	Intermediate Similarity	NPD5728	Clinical (unspecified phase)
0.765	Intermediate Similarity	NPD2095	Phase 2
0.765	Intermediate Similarity	NPD2092	Phase 2
0.7639	Intermediate Similarity	NPD7971	Clinical (unspecified phase)
0.7639	Intermediate Similarity	NPD7970	Approved
0.763	Intermediate Similarity	NPD8115	Approved
0.763	Intermediate Similarity	NPD8114	Approved
0.7628	Intermediate Similarity	NPD8093	Discontinued
0.7624	Intermediate Similarity	NPD4426	Clinical (unspecified phase)
0.7615	Intermediate Similarity	NPD8405	Clinical (unspecified phase)
0.7612	Intermediate Similarity	NPD2091	Phase 2
0.7612	Intermediate Similarity	NPD2096	Phase 2
0.7583	Intermediate Similarity	NPD2121	Clinical (unspecified phase)
0.7576	Intermediate Similarity	NPD749	Clinical (unspecified phase)
0.7547	Intermediate Similarity	NPD7712	Clinical (unspecified phase)
0.7525	Intermediate Similarity	NPD7564	Discontinued
0.7525	Intermediate Similarity	NPD4128	Approved
0.7524	Intermediate Similarity	NPD8248	Clinical (unspecified phase)
0.7523	Intermediate Similarity	NPD2442	Approved
0.7523	Intermediate Similarity	NPD6752	Phase 1
0.7523	Intermediate Similarity	NPD2443	Approved
0.7523	Intermediate Similarity	NPD6753	Phase 1
0.75	Intermediate Similarity	NPD4614	Clinical (unspecified phase)
0.7488	Intermediate Similarity	NPD6610	Clinical (unspecified phase)
0.7487	Intermediate Similarity	NPD4075	Phase 2
0.7475	Intermediate Similarity	NPD750	Phase 2
0.7465	Intermediate Similarity	NPD5426	Phase 3
0.7462	Intermediate Similarity	NPD4184	Clinical (unspecified phase)
0.7454	Intermediate Similarity	NPD4051	Discontinued
0.745	Intermediate Similarity	NPD6203	Clinical (unspecified phase)
0.7442	Intermediate Similarity	NPD7947	Clinical (unspecified phase)
0.7431	Intermediate Similarity	NPD8094	Discontinued
0.743	Intermediate Similarity	NPD7957	Phase 1
0.743	Intermediate Similarity	NPD7958	Clinical (unspecified phase)
0.7419	Intermediate Similarity	NPD4863	Approved
0.7416	Intermediate Similarity	NPD7818	Clinical (unspecified phase)
0.7416	Intermediate Similarity	NPD4848	Phase 1
0.7415	Intermediate Similarity	NPD8431	Approved
0.7415	Intermediate Similarity	NPD4988	Discontinued
0.7413	Intermediate Similarity	NPD4076	Approved
0.7413	Intermediate Similarity	NPD4079	Approved
0.7406	Intermediate Similarity	NPD7727	Phase 2
0.7378	Intermediate Similarity	NPD8289	Discontinued
0.7364	Intermediate Similarity	NPD3393	Approved
0.7364	Intermediate Similarity	NPD3389	Approved
0.7364	Intermediate Similarity	NPD3394	Approved
0.7363	Intermediate Similarity	NPD3506	Approved
0.7363	Intermediate Similarity	NPD3505	Approved
0.7361	Intermediate Similarity	NPD2509	Approved
0.7361	Intermediate Similarity	NPD2510	Approved
0.7353	Intermediate Similarity	NPD3607	Clinical (unspecified phase)
0.735	Intermediate Similarity	NPD5065	Approved
0.7349	Intermediate Similarity	NPD5489	Phase 1
0.7349	Intermediate Similarity	NPD2008	Discontinued
0.7349	Intermediate Similarity	NPD5491	Phase 3
0.7342	Intermediate Similarity	NPD5199	Approved
0.7342	Intermediate Similarity	NPD5198	Approved
0.7336	Intermediate Similarity	NPD8072	Approved
0.7336	Intermediate Similarity	NPD6176	Phase 1
0.733	Intermediate Similarity	NPD6141	Clinical (unspecified phase)
0.7327	Intermediate Similarity	NPD2408	Discontinued
0.7327	Intermediate Similarity	NPD3968	Approved
0.7324	Intermediate Similarity	NPD5017	Discontinued
0.7323	Intermediate Similarity	NPD5069	Clinical (unspecified phase)
0.7315	Intermediate Similarity	NPD3411	Phase 2
0.7315	Intermediate Similarity	NPD3410	Approved
0.7313	Intermediate Similarity	NPD7780	Approved
0.7313	Intermediate Similarity	NPD7781	Approved
0.7308	Intermediate Similarity	NPD5592	Clinical (unspecified phase)
0.7306	Intermediate Similarity	NPD2411	Approved
0.7301	Intermediate Similarity	NPD7603	Discontinued
0.7295	Intermediate Similarity	NPD7175	Phase 1
0.7295	Intermediate Similarity	NPD8110	Clinical (unspecified phase)
0.7289	Intermediate Similarity	NPD6173	Approved
0.7281	Intermediate Similarity	NPD7665	Phase 2
0.7281	Intermediate Similarity	NPD7666	Phase 3
0.7277	Intermediate Similarity	NPD4181	Approved
0.7269	Intermediate Similarity	NPD4862	Clinical (unspecified phase)
0.7264	Intermediate Similarity	NPD1982	Phase 1
0.7261	Intermediate Similarity	NPD7790	Approved
0.7261	Intermediate Similarity	NPD7951	Approved
0.7261	Intermediate Similarity	NPD7791	Approved
0.7261	Intermediate Similarity	NPD7950	Approved
0.7261	Intermediate Similarity	NPD7789	Approved
0.7261	Intermediate Similarity	NPD7953	Approved
0.7261	Intermediate Similarity	NPD7952	Approved
0.726	Intermediate Similarity	NPD3915	Approved
0.726	Intermediate Similarity	NPD5475	Discontinued
0.7251	Intermediate Similarity	NPD6226	Phase 3
0.7248	Intermediate Similarity	NPD5510	Approved
0.7246	Intermediate Similarity	NPD4948	Discontinued
0.7246	Intermediate Similarity	NPD3486	Clinical (unspecified phase)
0.7235	Intermediate Similarity	NPD1506	Discontinued
0.7232	Intermediate Similarity	NPD6242	Discontinued
0.7227	Intermediate Similarity	NPD3917	Approved
0.7227	Intermediate Similarity	NPD8458	Clinical (unspecified phase)
0.7227	Intermediate Similarity	NPD3918	Approved
0.7227	Intermediate Similarity	NPD3916	Clinical (unspecified phase)
0.7222	Intermediate Similarity	NPD3947	Discontinued
0.7212	Intermediate Similarity	NPD6850	Phase 2
0.7212	Intermediate Similarity	NPD6849	Phase 2
0.7209	Intermediate Similarity	NPD8073	Approved
0.7204	Intermediate Similarity	NPD7024	Clinical (unspecified phase)
0.7202	Intermediate Similarity	NPD7232	Discontinued
0.7198	Intermediate Similarity	NPD5820	Clinical (unspecified phase)
0.7196	Intermediate Similarity	NPD4601	Approved
0.7196	Intermediate Similarity	NPD4600	Approved
0.7195	Intermediate Similarity	NPD8488	Clinical (unspecified phase)
0.7193	Intermediate Similarity	NPD7730	Approved
0.7193	Intermediate Similarity	NPD7731	Approved
0.7193	Intermediate Similarity	NPD4845	Discontinued
0.719	Intermediate Similarity	NPD5505	Discontinued
0.7189	Intermediate Similarity	NPD3967	Approved
0.7189	Intermediate Similarity	NPD7001	Phase 3
0.7181	Intermediate Similarity	NPD7271	Approved
0.7178	Intermediate Similarity	NPD2928	Phase 2
0.7177	Intermediate Similarity	NPD4499	Approved
0.7175	Intermediate Similarity	NPD7823	Clinical (unspecified phase)
0.7156	Intermediate Similarity	NPD8322	Phase 2
0.715	Intermediate Similarity	NPD6999	Discontinued
0.715	Intermediate Similarity	NPD7000	Clinical (unspecified phase)
0.715	Intermediate Similarity	NPD5555	Phase 1
0.7149	Intermediate Similarity	NPD7657	Approved
0.7149	Intermediate Similarity	NPD7656	Approved
0.7149	Intermediate Similarity	NPD7195	Clinical (unspecified phase)
0.7143	Intermediate Similarity	NPD6987	Phase 1
0.7143	Intermediate Similarity	NPD3960	Clinical (unspecified phase)
0.7143	Intermediate Similarity	NPD6288	Clinical (unspecified phase)
0.7136	Intermediate Similarity	NPD7825	Clinical (unspecified phase)
0.7136	Intermediate Similarity	NPD5446	Phase 2
0.713	Intermediate Similarity	NPD3353	Approved
0.713	Intermediate Similarity	NPD6268	Phase 1
0.713	Intermediate Similarity	NPD6269	Clinical (unspecified phase)
0.713	Intermediate Similarity	NPD7824	Approved
0.713	Intermediate Similarity	NPD7187	Phase 2
0.7122	Intermediate Similarity	NPD5473	Discontinued
0.7117	Intermediate Similarity	NPD2823	Clinical (unspecified phase)
0.7115	Intermediate Similarity	NPD5809	Phase 3
0.7115	Intermediate Similarity	NPD7026	Phase 2
0.7113	Intermediate Similarity	NPD4558	Phase 2
0.7112	Intermediate Similarity	NPD5040	Clinical (unspecified phase)
0.7111	Intermediate Similarity	NPD7404	Approved
0.7108	Intermediate Similarity	NPD2144	Approved
0.7098	Intermediate Similarity	NPD4374	Clinical (unspecified phase)
0.7098	Intermediate Similarity	NPD2787	Clinical (unspecified phase)
0.7098	Intermediate Similarity	NPD2813	Phase 3
0.7098	Intermediate Similarity	NPD2812	Clinical (unspecified phase)
0.7089	Intermediate Similarity	NPD7027	Phase 3
0.7089	Intermediate Similarity	NPD7061	Clinical (unspecified phase)
0.7089	Intermediate Similarity	NPD6449	Clinical (unspecified phase)
0.7087	Intermediate Similarity	NPD3178	Discontinued
0.7085	Intermediate Similarity	NPD8242	Clinical (unspecified phase)
0.708	Intermediate Similarity	NPD6210	Phase 3
0.7078	Intermediate Similarity	NPD8410	Clinical (unspecified phase)
0.7075	Intermediate Similarity	NPD5575	Clinical (unspecified phase)
0.7073	Intermediate Similarity	NPD8386	Phase 2
0.707	Intermediate Similarity	NPD7308	Discontinued
0.7069	Intermediate Similarity	NPD8119	Discontinued
0.7067	Intermediate Similarity	NPD6470	Phase 3
0.7067	Intermediate Similarity	NPD6578	Clinical (unspecified phase)
0.7064	Intermediate Similarity	NPD7207	Approved
0.7064	Intermediate Similarity	NPD7209	Approved
0.7064	Intermediate Similarity	NPD7208	Approved
0.7062	Intermediate Similarity	NPD5042	Phase 1
0.7062	Intermediate Similarity	NPD2336	Approved
0.7056	Intermediate Similarity	NPD7948	Phase 1
0.7053	Intermediate Similarity	NPD3319	Phase 1
0.7053	Intermediate Similarity	NPD3320	Approved
0.7053	Intermediate Similarity	NPD3318	Approved
0.7046	Intermediate Similarity	NPD3914	Clinical (unspecified phase)
0.7045	Intermediate Similarity	NPD6486	Approved
0.7045	Intermediate Similarity	NPD6487	Approved

Structure

NPC471192 OpenBabel07101719242D 27 31 0 0 1 0 0 0 0 0999 V2000 -4.7988 -1.0657 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 -5.4679 -0.3226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8206 -0.8578 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 -5.1589 0.6285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7026 1.4945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5981 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5116 0.0933 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 -4.1808 0.8364 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 -0.8660 0.5000 0.0000 C 0 0 2 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 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 1.5000 0.0000 C 0 0 1 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 -3.6808 1.7024 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 2.0000 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 -1.7321 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 5 1 0 0 0 0 2 4 2 0 0 0 0 2 6 1 0 0 0 0 3 7 1 0 0 0 0 4 8 1 0 0 0 0 5 12 2 0 0 0 0 6 13 2 0 0 0 0 7 14 2 0 0 0 0 8 15 2 0 0 0 0 9 11 1 0 0 0 0 10 11 2 0 0 0 0 10 21 1 0 0 0 0 11 12 1 0 0 0 0 12 14 1 0 0 0 0 13 15 1 0 0 0 0 13 20 1 0 0 0 0 14 21 1 0 0 0 0 15 22 1 0 0 0 0 16 9 1 6 0 0 0 16 18 1 0 0 0 0 16 24 1 0 0 0 0 17 19 1 0 0 0 0 17 22 2 0 0 0 0 17 24 1 0 0 0 0 18 23 2 0 0 0 0 18 25 1 0 0 0 0 19 23 1 0 0 0 0 19 26 1 1 0 0 0 20 24 1 0 0 0 0 20 27 2 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	71725293
ChEMBL	CHEMBL2386528
ZINC

Physicochemical Properties

Molecular Weight:	360.12
ALogP:	-1.5195
MLogP:	2.89
XLogP:	2.694
# Rotatable Bonds:	4
Polar Surface Area:	101.28
# H-Bond Aceptor:	7
# H-Bond Donor:	3
# Rings:	5
# Heavy Atoms:	27

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