NPASS Natural Product

Natural Product: NPC208522

Natural Product ID:	NPC208522
Common Name:	Daurioxoisoporphine A
IUPAC Name:
Synonyms:
Molecular Formula:	C26H22N2O4
Standard InCHIKey:	MFZIOXKFMPCZNK-UHFFFAOYSA-N
Standard InCHI:	InChI=1S/C26H22N2O4/c1-31-18-7-8-19-20(14-18)26(30)23-22-16(10-12-27-24(19)22)13-21(32-2)25(23)28-11-9-15-3-5-17(29)6-4-15/h3-8,10,12-14,28-29H,9,11H2,1-2H3
Canonical SMILES:	COc1cc2ccnc3c2c(c1NCCc1ccc(cc1)O)C(=O)c1c3ccc(c1)OC
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
NPO20526	Menispermum dauricum	Species	Menispermaceae	Eukaryota				PMID[11473438]
NPO20526	Menispermum dauricum	Species	Menispermaceae	Eukaryota				TCMID*

Biological Activity

Activity Type	# Activity
IC50	10

Activity Type	# Activity
Cell Line	7
Others	3

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT81	Cell Line	A549	Homo sapiens	IC50	=	8800	nM	11473438
NPT116	Cell Line	HL-60	Homo sapiens	IC50	>	50000	nM	11473438
NPT83	Cell Line	MCF7	Homo sapiens	IC50	=	3000	nM	11473438
NPT168	Cell Line	P388	Mus musculus	IC50	=	30500	nM	11473438
NPT196	Cell Line	AGS	Homo sapiens	IC50	>	3000	nM	20961068
NPT2	Others	Unspecified		IC50	>	3000	nM	20961068
NPT1506	Cell Line	SK-MES-1	Homo sapiens	IC50	>	3000	nM	20961068
NPT1505	Cell Line	J82	Homo sapiens	IC50	>	3000	nM	20961068

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 NPC208522 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	379
0.1-0.2	1976
0.2-0.3	8961
0.3-0.4	3898
0.4-0.5	10802
0.5-0.6	3174
0.6-0.7	1355
0.7-0.8	332
0.8-0.85	4
0.85-0.9	4
0.9-0.95	3
0.95-1	1

Similarity Score	Similarity Level	Natural Product ID
0.9535	High Similarity	NPC49547
0.9349	High Similarity	NPC74575
0.9348	High Similarity	NPC132385
0.9124	High Similarity	NPC470018
0.8929	High Similarity	NPC470022
0.8826	High Similarity	NPC270515
0.8717	High Similarity	NPC470017
0.8651	High Similarity	NPC470020
0.813	Intermediate Similarity	NPC274640
0.8101	Intermediate Similarity	NPC142385
0.8035	Intermediate Similarity	NPC322482
0.8017	Intermediate Similarity	NPC24019
0.7991	Intermediate Similarity	NPC329631
0.7991	Intermediate Similarity	NPC210434
0.7991	Intermediate Similarity	NPC144452
0.7983	Intermediate Similarity	NPC477112
0.7982	Intermediate Similarity	NPC225279
0.7975	Intermediate Similarity	NPC41501
0.7975	Intermediate Similarity	NPC137353
0.7957	Intermediate Similarity	NPC51388
0.7957	Intermediate Similarity	NPC39370
0.795	Intermediate Similarity	NPC15406
0.7941	Intermediate Similarity	NPC475844
0.7913	Intermediate Similarity	NPC216612
0.7908	Intermediate Similarity	NPC72905
0.7906	Intermediate Similarity	NPC474688
0.7872	Intermediate Similarity	NPC473186
0.7866	Intermediate Similarity	NPC210296
0.7857	Intermediate Similarity	NPC101350
0.7841	Intermediate Similarity	NPC146976
0.7839	Intermediate Similarity	NPC22481
0.783	Intermediate Similarity	NPC474701
0.7817	Intermediate Similarity	NPC184408
0.7815	Intermediate Similarity	NPC235685
0.7815	Intermediate Similarity	NPC472061
0.7806	Intermediate Similarity	NPC90875
0.7797	Intermediate Similarity	NPC236668
0.7788	Intermediate Similarity	NPC208284
0.7773	Intermediate Similarity	NPC293151
0.7768	Intermediate Similarity	NPC179287
0.7755	Intermediate Similarity	NPC183537
0.7746	Intermediate Similarity	NPC63971
0.7746	Intermediate Similarity	NPC91868
0.7741	Intermediate Similarity	NPC189903
0.7741	Intermediate Similarity	NPC182907
0.7722	Intermediate Similarity	NPC233334
0.7712	Intermediate Similarity	NPC278525
0.7702	Intermediate Similarity	NPC53534
0.7699	Intermediate Similarity	NPC473187
0.7699	Intermediate Similarity	NPC108342
0.7683	Intermediate Similarity	NPC77878
0.7672	Intermediate Similarity	NPC276657
0.7665	Intermediate Similarity	NPC199667
0.765	Intermediate Similarity	NPC122436
0.7642	Intermediate Similarity	NPC39500
0.7632	Intermediate Similarity	NPC187501
0.7632	Intermediate Similarity	NPC220337
0.7629	Intermediate Similarity	NPC208084
0.7627	Intermediate Similarity	NPC473185
0.7621	Intermediate Similarity	NPC473181
0.7611	Intermediate Similarity	NPC473188
0.7611	Intermediate Similarity	NPC193238
0.7609	Intermediate Similarity	NPC237740
0.7609	Intermediate Similarity	NPC118228
0.7605	Intermediate Similarity	NPC260434
0.7597	Intermediate Similarity	NPC132642
0.7595	Intermediate Similarity	NPC246381
0.7593	Intermediate Similarity	NPC15801
0.7589	Intermediate Similarity	NPC152620
0.7588	Intermediate Similarity	NPC309845
0.7586	Intermediate Similarity	NPC204446
0.7573	Intermediate Similarity	NPC207686
0.7572	Intermediate Similarity	NPC148889
0.7562	Intermediate Similarity	NPC166722
0.7554	Intermediate Similarity	NPC74360
0.7554	Intermediate Similarity	NPC473179
0.7551	Intermediate Similarity	NPC124313
0.7543	Intermediate Similarity	NPC27041
0.7543	Intermediate Similarity	NPC469727
0.7541	Intermediate Similarity	NPC207283
0.7541	Intermediate Similarity	NPC84164
0.754	Intermediate Similarity	NPC67401
0.7522	Intermediate Similarity	NPC473180
0.7522	Intermediate Similarity	NPC94157
0.7522	Intermediate Similarity	NPC219087
0.75	Intermediate Similarity	NPC477111
0.749	Intermediate Similarity	NPC161801
0.749	Intermediate Similarity	NPC478083
0.7489	Intermediate Similarity	NPC162530
0.7479	Intermediate Similarity	NPC257851
0.7478	Intermediate Similarity	NPC87413
0.7478	Intermediate Similarity	NPC475774
0.7469	Intermediate Similarity	NPC473182
0.7458	Intermediate Similarity	NPC122463
0.7458	Intermediate Similarity	NPC118121
0.7456	Intermediate Similarity	NPC183777
0.745	Intermediate Similarity	NPC478045
0.7449	Intermediate Similarity	NPC6786
0.7447	Intermediate Similarity	NPC150239
0.7444	Intermediate Similarity	NPC90229
0.7438	Intermediate Similarity	NPC253675
0.7437	Intermediate Similarity	NPC202503
0.7435	Intermediate Similarity	NPC188420
0.7425	Intermediate Similarity	NPC477110
0.7424	Intermediate Similarity	NPC171787
0.7415	Intermediate Similarity	NPC280799
0.7414	Intermediate Similarity	NPC266931
0.7414	Intermediate Similarity	NPC271215
0.7414	Intermediate Similarity	NPC149471
0.7412	Intermediate Similarity	NPC477113
0.7412	Intermediate Similarity	NPC317373
0.7406	Intermediate Similarity	NPC478078
0.7403	Intermediate Similarity	NPC9894
0.7402	Intermediate Similarity	NPC89549
0.7391	Intermediate Similarity	NPC258048
0.738	Intermediate Similarity	NPC283117
0.7379	Intermediate Similarity	NPC178858
0.7377	Intermediate Similarity	NPC473183
0.7373	Intermediate Similarity	NPC323969
0.7371	Intermediate Similarity	NPC202605
0.7371	Intermediate Similarity	NPC112206
0.7368	Intermediate Similarity	NPC285558
0.7368	Intermediate Similarity	NPC327592
0.7366	Intermediate Similarity	NPC473184
0.7362	Intermediate Similarity	NPC173080
0.7362	Intermediate Similarity	NPC216369
0.7362	Intermediate Similarity	NPC247803
0.7359	Intermediate Similarity	NPC471304
0.7353	Intermediate Similarity	NPC94842
0.7348	Intermediate Similarity	NPC39679
0.7342	Intermediate Similarity	NPC60621
0.7342	Intermediate Similarity	NPC133140
0.7342	Intermediate Similarity	NPC195268
0.7339	Intermediate Similarity	NPC232225
0.7339	Intermediate Similarity	NPC324361
0.7336	Intermediate Similarity	NPC477549
0.7336	Intermediate Similarity	NPC300156
0.7336	Intermediate Similarity	NPC45190
0.7336	Intermediate Similarity	NPC295228
0.7333	Intermediate Similarity	NPC157931
0.7331	Intermediate Similarity	NPC213530
0.7331	Intermediate Similarity	NPC193267
0.7331	Intermediate Similarity	NPC17565
0.7328	Intermediate Similarity	NPC294375
0.7326	Intermediate Similarity	NPC227824
0.7308	Intermediate Similarity	NPC235076
0.7304	Intermediate Similarity	NPC4687
0.7304	Intermediate Similarity	NPC193777
0.7304	Intermediate Similarity	NPC249583
0.7303	Intermediate Similarity	NPC252251
0.7303	Intermediate Similarity	NPC471762
0.7301	Intermediate Similarity	NPC128823
0.7301	Intermediate Similarity	NPC4071
0.7301	Intermediate Similarity	NPC476582
0.7301	Intermediate Similarity	NPC476578
0.73	Intermediate Similarity	NPC174760
0.7296	Intermediate Similarity	NPC474428
0.7296	Intermediate Similarity	NPC110182
0.7296	Intermediate Similarity	NPC251160
0.7295	Intermediate Similarity	NPC182222
0.7291	Intermediate Similarity	NPC134637
0.7288	Intermediate Similarity	NPC100079
0.7288	Intermediate Similarity	NPC23614
0.7284	Intermediate Similarity	NPC196718
0.7284	Intermediate Similarity	NPC290689
0.7283	Intermediate Similarity	NPC472589
0.728	Intermediate Similarity	NPC65277
0.7277	Intermediate Similarity	NPC146724
0.7276	Intermediate Similarity	NPC11408
0.7273	Intermediate Similarity	NPC472588
0.7273	Intermediate Similarity	NPC244543
0.7269	Intermediate Similarity	NPC78609
0.7265	Intermediate Similarity	NPC280964
0.7265	Intermediate Similarity	NPC114335
0.7265	Intermediate Similarity	NPC141915
0.7265	Intermediate Similarity	NPC317752
0.7254	Intermediate Similarity	NPC172222
0.725	Intermediate Similarity	NPC473449
0.7249	Intermediate Similarity	NPC476138
0.7249	Intermediate Similarity	NPC245816
0.7243	Intermediate Similarity	NPC475253
0.7243	Intermediate Similarity	NPC477531
0.7232	Intermediate Similarity	NPC307963
0.7232	Intermediate Similarity	NPC230403
0.7227	Intermediate Similarity	NPC174049
0.7225	Intermediate Similarity	NPC103361
0.7222	Intermediate Similarity	NPC318299
0.7222	Intermediate Similarity	NPC26543
0.722	Intermediate Similarity	NPC200888
0.722	Intermediate Similarity	NPC319232
0.722	Intermediate Similarity	NPC24370
0.7218	Intermediate Similarity	NPC217554
0.7217	Intermediate Similarity	NPC476581
0.7217	Intermediate Similarity	NPC36229
0.7217	Intermediate Similarity	NPC16452
0.7215	Intermediate Similarity	NPC264285
0.7213	Intermediate Similarity	NPC102593
0.7212	Intermediate Similarity	NPC470021
0.7211	Intermediate Similarity	NPC218388
0.721	Intermediate Similarity	NPC11464

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC208522 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	236
0.1-0.2	689
0.2-0.3	1030
0.3-0.4	1272
0.4-0.5	2447
0.5-0.6	2302
0.6-0.7	1015
0.7-0.8	165
0.8-0.85	5
0.85-0.9	0
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.8333	Intermediate Similarity	NPD8091	Phase 3
0.8296	Intermediate Similarity	NPD4429	Discontinued
0.8214	Intermediate Similarity	NPD7395	Discontinued
0.8095	Intermediate Similarity	NPD5022	Discontinued
0.8017	Intermediate Similarity	NPD5801	Clinical (unspecified phase)
0.7991	Intermediate Similarity	NPD6741	Clinical (unspecified phase)
0.792	Intermediate Similarity	NPD7925	Phase 2
0.792	Intermediate Similarity	NPD7924	Phase 2
0.7915	Intermediate Similarity	NPD5040	Clinical (unspecified phase)
0.7845	Intermediate Similarity	NPD7586	Clinical (unspecified phase)
0.7841	Intermediate Similarity	NPD5417	Clinical (unspecified phase)
0.7826	Intermediate Similarity	NPD6242	Discontinued
0.7788	Intermediate Similarity	NPD4502	Phase 2
0.7718	Intermediate Similarity	NPD6790	Phase 1
0.7709	Intermediate Similarity	NPD5416	Discontinued
0.7702	Intermediate Similarity	NPD7994	Phase 2
0.7689	Intermediate Similarity	NPD5429	Discontinued
0.7686	Intermediate Similarity	NPD6716	Phase 1
0.7664	Intermediate Similarity	NPD5488	Discontinued
0.7642	Intermediate Similarity	NPD6525	Clinical (unspecified phase)
0.7625	Intermediate Similarity	NPD7853	Phase 2
0.7615	Intermediate Similarity	NPD6494	Phase 2
0.7607	Intermediate Similarity	NPD6160	Clinical (unspecified phase)
0.7607	Intermediate Similarity	NPD2285	Clinical (unspecified phase)
0.7598	Intermediate Similarity	NPD7069	Discontinued
0.7552	Intermediate Similarity	NPD3006	Discontinued
0.7551	Intermediate Similarity	NPD5483	Clinical (unspecified phase)
0.7532	Intermediate Similarity	NPD7538	Clinical (unspecified phase)
0.7521	Intermediate Similarity	NPD7858	Clinical (unspecified phase)
0.7489	Intermediate Similarity	NPD7010	Phase 3
0.7488	Intermediate Similarity	NPD7414	Clinical (unspecified phase)
0.747	Intermediate Similarity	NPD6530	Approved
0.747	Intermediate Similarity	NPD6531	Approved
0.7456	Intermediate Similarity	NPD7222	Phase 2
0.7448	Intermediate Similarity	NPD7710	Clinical (unspecified phase)
0.7438	Intermediate Similarity	NPD2951	Discontinued
0.7429	Intermediate Similarity	NPD7417	Discontinued
0.741	Intermediate Similarity	NPD4926	Clinical (unspecified phase)
0.7403	Intermediate Similarity	NPD5939	Approved
0.7403	Intermediate Similarity	NPD5936	Approved
0.7362	Intermediate Similarity	NPD8109	Clinical (unspecified phase)
0.7362	Intermediate Similarity	NPD8405	Clinical (unspecified phase)
0.7355	Intermediate Similarity	NPD5151	Clinical (unspecified phase)
0.735	Intermediate Similarity	NPD5612	Discontinued
0.7348	Intermediate Similarity	NPD7467	Discontinued
0.7348	Intermediate Similarity	NPD8279	Clinical (unspecified phase)
0.7342	Intermediate Similarity	NPD3924	Approved
0.7342	Intermediate Similarity	NPD3923	Approved
0.7342	Intermediate Similarity	NPD3922	Approved
0.7342	Intermediate Similarity	NPD3921	Approved
0.7336	Intermediate Similarity	NPD5530	Phase 1
0.7333	Intermediate Similarity	NPD4845	Discontinued
0.7333	Intermediate Similarity	NPD3259	Approved
0.7331	Intermediate Similarity	NPD7404	Approved
0.7304	Intermediate Similarity	NPD6290	Phase 2
0.7301	Intermediate Similarity	NPD2177	Approved
0.7301	Intermediate Similarity	NPD2175	Phase 3
0.7301	Intermediate Similarity	NPD2176	Approved
0.7293	Intermediate Similarity	NPD5901	Discontinued
0.7292	Intermediate Similarity	NPD7603	Discontinued
0.7292	Intermediate Similarity	NPD7426	Phase 1
0.7291	Intermediate Similarity	NPD5482	Discontinued
0.7291	Intermediate Similarity	NPD3809	Discontinued
0.7289	Intermediate Similarity	NPD7948	Phase 1
0.728	Intermediate Similarity	NPD7547	Clinical (unspecified phase)
0.7277	Intermediate Similarity	NPD8149	Discontinued
0.7265	Intermediate Similarity	NPD5891	Approved
0.7265	Intermediate Similarity	NPD3794	Approved
0.7265	Intermediate Similarity	NPD6569	Phase 2
0.7265	Intermediate Similarity	NPD3795	Approved
0.7261	Intermediate Similarity	NPD7268	Clinical (unspecified phase)
0.7254	Intermediate Similarity	NPD7558	Phase 2
0.7253	Intermediate Similarity	NPD7927	Clinical (unspecified phase)
0.7253	Intermediate Similarity	NPD5475	Discontinued
0.7249	Intermediate Similarity	NPD2121	Clinical (unspecified phase)
0.7247	Intermediate Similarity	NPD8016	Phase 3
0.7247	Intermediate Similarity	NPD8017	Clinical (unspecified phase)
0.7247	Intermediate Similarity	NPD4561	Discontinued
0.7238	Intermediate Similarity	NPD6824	Clinical (unspecified phase)
0.7238	Intermediate Similarity	NPD6995	Phase 1
0.7238	Intermediate Similarity	NPD1856	Discontinued
0.7232	Intermediate Similarity	NPD1038	Approved
0.7229	Intermediate Similarity	NPD7453	Approved
0.7229	Intermediate Similarity	NPD7452	Approved
0.7222	Intermediate Similarity	NPD3986	Discontinued
0.722	Intermediate Similarity	NPD3263	Phase 3
0.7217	Intermediate Similarity	NPD4795	Phase 2
0.7216	Intermediate Similarity	NPD8244	Phase 2
0.7213	Intermediate Similarity	NPD3746	Discontinued
0.721	Intermediate Similarity	NPD6204	Clinical (unspecified phase)
0.7202	Intermediate Similarity	NPD5479	Discontinued
0.7202	Intermediate Similarity	NPD8052	Clinical (unspecified phase)
0.72	Intermediate Similarity	NPD6491	Clinical (unspecified phase)
0.7193	Intermediate Similarity	NPD5497	Clinical (unspecified phase)
0.7185	Intermediate Similarity	NPD3763	Approved
0.7181	Intermediate Similarity	NPD4894	Discontinued
0.7178	Intermediate Similarity	NPD3925	Approved
0.7177	Intermediate Similarity	NPD2921	Clinical (unspecified phase)
0.7168	Intermediate Similarity	NPD5512	Phase 3
0.7166	Intermediate Similarity	NPD4958	Clinical (unspecified phase)
0.7165	Intermediate Similarity	NPD7859	Phase 2
0.7155	Intermediate Similarity	NPD5433	Clinical (unspecified phase)
0.7154	Intermediate Similarity	NPD6963	Approved
0.7154	Intermediate Similarity	NPD8101	Phase 3
0.7154	Intermediate Similarity	NPD6964	Approved
0.7149	Intermediate Similarity	NPD5999	Phase 2
0.7143	Intermediate Similarity	NPD3947	Discontinued
0.7143	Intermediate Similarity	NPD31	Approved
0.7143	Intermediate Similarity	NPD4035	Approved
0.7143	Intermediate Similarity	NPD6987	Phase 1
0.7143	Intermediate Similarity	NPD4037	Approved
0.7143	Intermediate Similarity	NPD4039	Approved
0.7143	Intermediate Similarity	NPD4033	Approved
0.7143	Intermediate Similarity	NPD4034	Approved
0.7143	Intermediate Similarity	NPD32	Approved
0.7143	Intermediate Similarity	NPD4036	Approved
0.7143	Intermediate Similarity	NPD4038	Approved
0.7143	Intermediate Similarity	NPD4122	Approved
0.7124	Intermediate Similarity	NPD5975	Clinical (unspecified phase)
0.7119	Intermediate Similarity	NPD3945	Discontinued
0.7118	Intermediate Similarity	NPD1740	Approved
0.7118	Intermediate Similarity	NPD1739	Approved
0.7118	Intermediate Similarity	NPD8248	Clinical (unspecified phase)
0.7115	Intermediate Similarity	NPD6456	Discontinued
0.7107	Intermediate Similarity	NPD6247	Clinical (unspecified phase)
0.7102	Intermediate Similarity	NPD6962	Phase 2
0.7102	Intermediate Similarity	NPD7688	Phase 1
0.7101	Intermediate Similarity	NPD7823	Clinical (unspecified phase)
0.709	Intermediate Similarity	NPD5559	Phase 2
0.709	Intermediate Similarity	NPD7555	Discontinued
0.708	Intermediate Similarity	NPD1304	Clinical (unspecified phase)
0.7076	Intermediate Similarity	NPD8093	Discontinued
0.7074	Intermediate Similarity	NPD4548	Discontinued
0.7071	Intermediate Similarity	NPD5632	Approved
0.7071	Intermediate Similarity	NPD6568	Discontinued
0.7071	Intermediate Similarity	NPD3354	Phase 2
0.707	Intermediate Similarity	NPD8463	Approved
0.7064	Intermediate Similarity	NPD7998	Clinical (unspecified phase)
0.7061	Intermediate Similarity	NPD6199	Discontinued
0.7059	Intermediate Similarity	NPD2433	Clinical (unspecified phase)
0.7059	Intermediate Similarity	NPD5522	Clinical (unspecified phase)
0.7059	Intermediate Similarity	NPD3394	Approved
0.7059	Intermediate Similarity	NPD6503	Clinical (unspecified phase)
0.7059	Intermediate Similarity	NPD3389	Approved
0.7059	Intermediate Similarity	NPD3393	Approved
0.7056	Intermediate Similarity	NPD7187	Phase 2
0.7056	Intermediate Similarity	NPD5469	Phase 3
0.7052	Intermediate Similarity	NPD1483	Discontinued
0.7051	Intermediate Similarity	NPD2510	Approved
0.7051	Intermediate Similarity	NPD2509	Approved
0.7047	Intermediate Similarity	NPD7658	Phase 2
0.7046	Intermediate Similarity	NPD3243	Approved
0.7045	Intermediate Similarity	NPD4373	Phase 2
0.7043	Intermediate Similarity	NPD484	Approved
0.7036	Intermediate Similarity	NPD8100	Phase 3
0.7034	Intermediate Similarity	NPD7703	Clinical (unspecified phase)
0.7029	Intermediate Similarity	NPD3326	Clinical (unspecified phase)
0.7019	Intermediate Similarity	NPD7689	Approved
0.7017	Intermediate Similarity	NPD5293	Phase 2
0.7013	Intermediate Similarity	NPD4511	Phase 1
0.7012	Intermediate Similarity	NPD5850	Phase 3
0.7008	Intermediate Similarity	NPD8363	Approved
0.7008	Intermediate Similarity	NPD8364	Approved
0.7008	Intermediate Similarity	NPD8289	Discontinued
0.7008	Intermediate Similarity	NPD8358	Approved
0.7004	Intermediate Similarity	NPD5575	Clinical (unspecified phase)
0.7004	Intermediate Similarity	NPD3815	Phase 1
0.7004	Intermediate Similarity	NPD3816	Phase 1
0.7	Intermediate Similarity	NPD5867	Clinical (unspecified phase)
0.7	Intermediate Similarity	NPD7708	Approved
0.6996	Remote Similarity	NPD4889	Approved
0.6996	Remote Similarity	NPD3959	Phase 2
0.6996	Remote Similarity	NPD3962	Phase 2
0.6992	Remote Similarity	NPD4952	Phase 3
0.6992	Remote Similarity	NPD6969	Phase 2
0.6992	Remote Similarity	NPD6968	Phase 2
0.6983	Remote Similarity	NPD6975	Discontinued
0.698	Remote Similarity	NPD4558	Phase 2
0.6979	Remote Similarity	NPD7672	Approved
0.6979	Remote Similarity	NPD2916	Discontinued
0.6979	Remote Similarity	NPD7671	Approved
0.6976	Remote Similarity	NPD4850	Phase 1
0.6976	Remote Similarity	NPD7922	Phase 1
0.6966	Remote Similarity	NPD4862	Clinical (unspecified phase)
0.6962	Remote Similarity	NPD6567	Clinical (unspecified phase)
0.696	Remote Similarity	NPD4368	Phase 2
0.696	Remote Similarity	NPD5937	Approved
0.6958	Remote Similarity	NPD5450	Discontinued
0.6957	Remote Similarity	NPD7889	Clinical (unspecified phase)
0.6955	Remote Similarity	NPD8365	Clinical (unspecified phase)
0.6951	Remote Similarity	NPD5083	Clinical (unspecified phase)
0.6949	Remote Similarity	NPD2125	Clinical (unspecified phase)
0.6947	Remote Similarity	NPD5896	Clinical (unspecified phase)
0.6946	Remote Similarity	NPD6140	Clinical (unspecified phase)
0.6945	Remote Similarity	NPD8349	Phase 1
0.694	Remote Similarity	NPD7566	Clinical (unspecified phase)
0.6929	Remote Similarity	NPD8310	Clinical (unspecified phase)
0.6929	Remote Similarity	NPD6230	Discontinued
0.6926	Remote Similarity	NPD4118	Clinical (unspecified phase)
0.6923	Remote Similarity	NPD6138	Clinical (unspecified phase)

Structure

CID208522 OpenBabel06191716002D 32 36 0 0 0 0 0 0 0 0999 V2000 -1.6494 -4.8960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0767 0.9168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5535 -1.0488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9463 0.5235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4612 -0.6983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8541 0.8740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0236 -2.9344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0172 -1.9652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8882 -0.7885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8574 1.4505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1308 -0.1776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0106 0.9730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5578 1.4319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6552 -2.9453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7960 -0.4379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7052 0.9545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6115 0.2632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8126 -3.4245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8253 -1.4860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6615 -1.9761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3936 0.9360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6945 -0.0185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5364 -0.5258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8360 -0.5072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3829 -0.0370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5256 -1.5046 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 -4.2230 -0.5282 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.5193 0.6137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3609 -2.0066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8062 -4.4018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2407 1.4123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 31 1 0 0 0 0 2 32 1 0 0 0 0 3 5 1 0 0 0 0 3 15 2 0 0 0 0 4 6 2 0 0 0 0 4 15 1 0 0 0 0 5 17 2 0 0 0 0 6 17 1 0 0 0 0 7 8 2 0 0 0 0 7 18 1 0 0 0 0 8 19 1 0 0 0 0 9 11 1 0 0 0 0 9 15 1 0 0 0 0 10 12 2 0 0 0 0 10 16 1 0 0 0 0 11 28 1 0 0 0 0 12 27 1 0 0 0 0 13 16 2 0 0 0 0 13 21 1 0 0 0 0 14 18 2 0 0 0 0 14 20 1 0 0 0 0 16 22 1 0 0 0 0 17 29 1 0 0 0 0 18 31 1 0 0 0 0 19 20 2 0 0 0 0 19 24 1 0 0 0 0 20 26 1 0 0 0 0 21 25 2 0 0 0 0 21 32 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 23 25 1 0 0 0 0 23 26 1 0 0 0 0 24 27 2 0 0 0 0 25 28 1 0 0 0 0 26 30 2 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	10477546
ChEMBL	CHEMBL523250
ZINC

Physicochemical Properties

Molecular Weight:	426.16
ALogP:	-0.9809
MLogP:	3.66
XLogP:	3.742
# Rotatable Bonds:	9
Polar Surface Area:	80.68
# H-Bond Aceptor:	3
# H-Bond Donor:	2
# Rings:	5
# Heavy Atoms:	32

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