NPASS Natural Product

Natural Product: NPC150879

Natural Product ID:	NPC150879
Common Name:	(13Ar,14R)-2,3,6-Trimethoxy-9,11,12,13,13A,14-Hexahydrophenanthro[9,10-F]Indolizin-14-Ol
IUPAC Name:	(13aR,14R)-2,3,6-trimethoxy-9,11,12,13,13a,14-hexahydrophenanthro[9,10-f]indolizin-14-ol
Synonyms:
Molecular Formula:	C23H25NO4
Standard InCHIKey:	VEPWWLXWVFFRLY-XXBNENTESA-N
Standard InCHI:	InChI=1S/C23H25NO4/c1-26-13-6-7-14-15(9-13)16-10-20(27-2)21(28-3)11-17(16)22-18(14)12-24-8-4-5-19(24)23(22)25/h6-7,9-11,19,23,25H,4-5,8,12H2,1-3H3/t19-,23+/m1/s1
Canonical SMILES:	COc1ccc2c(c1)c1cc(OC)c(cc1c1c2CN2CCC[C@@H]2[C@@H]1O)OC
First Find Year:
Max Developmental Stage:
Synthetic Gene Cluster:	;

Species Source

Organism ID	Organism Name	Taxonomy Level	Family	SuperKingdom	Reference
NPO17803	Parmelia omphalodes	Species	Parmeliaceae	Eukaryota	UNPD*
NPO24981	Dimetia capitellata	Species	Rubiaceae	Eukaryota	UNPD*
NPO14290	Bryonia cretica	Species	Cucurbitaceae	Eukaryota	UNPD*
NPO28410	Nandina domestica	Species	Berberidaceae	Eukaryota	UNPD*
NPO18515	Uncaria pilosa	Species	Rubiaceae	Eukaryota	UNPD*
NPO18788	Isertia hypoleuca	Species	Rubiaceae	Eukaryota	UNPD*
NPO18056	Silene rubicunda	Species	Caryophyllaceae	Eukaryota	UNPD*

Biological Activity

Activity Type	# Activity
GI50	2
Others	8

Activity Type	# Activity
Cell Line	2
Organism	8

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT81	Cell Line	A549	Homo sapiens	GI50	>	10000	nM	22417638
NPT116	Cell Line	HL-60	Homo sapiens	GI50	>	10000	nM	22417638
NPT786	Organism	Tobacco mosaic virus	Tobacco mosaic virus	Activity	=	7.3	%	23035814
NPT786	Organism	Tobacco mosaic virus	Tobacco mosaic virus	Activity	=	39.6	%	23035814
NPT786	Organism	Tobacco mosaic virus	Tobacco mosaic virus	Activity	=	10.2	%	23035814
NPT786	Organism	Tobacco mosaic virus	Tobacco mosaic virus	Activity	=	34.9	%	23035814
NPT786	Organism	Tobacco mosaic virus	Tobacco mosaic virus	Activity	=	14.2	%	23035814
NPT786	Organism	Tobacco mosaic virus	Tobacco mosaic virus	Activity	=	38.5	%	23035814
NPT786	Organism	Tobacco mosaic virus	Tobacco mosaic virus	Inhibition	=	21.6	%	23035814
NPT786	Organism	Tobacco mosaic virus	Tobacco mosaic virus	Inhibition	=	43.5	%	23035814

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 NPC150879 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	210
0.1-0.2	1075
0.2-0.3	2883
0.3-0.4	8725
0.4-0.5	4100
0.5-0.6	8630
0.6-0.7	4365
0.7-0.8	597
0.8-0.85	213
0.85-0.9	79
0.9-0.95	9
0.95-1	3

Similarity Score	Similarity Level	Natural Product ID
0.9805	High Similarity	NPC233650
0.9742	High Similarity	NPC134858
0.9618	High Similarity	NPC210140
0.949	High Similarity	NPC169743
0.9167	High Similarity	NPC244112
0.9161	High Similarity	NPC26601
0.9108	High Similarity	NPC186063
0.9091	High Similarity	NPC219162
0.9042	High Similarity	NPC248642
0.9036	High Similarity	NPC126284
0.9026	High Similarity	NPC130941
0.9	High Similarity	NPC60186
0.8988	High Similarity	NPC156576
0.8961	High Similarity	NPC90844
0.8961	High Similarity	NPC95075
0.8961	High Similarity	NPC253883
0.8957	High Similarity	NPC160570
0.8795	High Similarity	NPC2314
0.8788	High Similarity	NPC329911
0.878	High Similarity	NPC474931
0.878	High Similarity	NPC117188
0.878	High Similarity	NPC81218
0.878	High Similarity	NPC205421
0.878	High Similarity	NPC158376
0.878	High Similarity	NPC12053
0.878	High Similarity	NPC145832
0.878	High Similarity	NPC306555
0.8773	High Similarity	NPC78222
0.8773	High Similarity	NPC136508
0.8773	High Similarity	NPC96603
0.8773	High Similarity	NPC196447
0.8773	High Similarity	NPC212794
0.8773	High Similarity	NPC306843
0.8773	High Similarity	NPC13504
0.8773	High Similarity	NPC477563
0.8773	High Similarity	NPC76116
0.8773	High Similarity	NPC253043
0.8772	High Similarity	NPC214116
0.8758	High Similarity	NPC59028
0.8758	High Similarity	NPC92191
0.8726	High Similarity	NPC92541
0.8712	High Similarity	NPC324144
0.8704	High Similarity	NPC205167
0.8704	High Similarity	NPC249274
0.8696	High Similarity	NPC476572
0.8688	High Similarity	NPC99659
0.8688	High Similarity	NPC325871
0.8639	High Similarity	NPC320223
0.8639	High Similarity	NPC148693
0.8639	High Similarity	NPC118633
0.8639	High Similarity	NPC294790
0.8639	High Similarity	NPC114364
0.8631	High Similarity	NPC199465
0.8631	High Similarity	NPC229166
0.8631	High Similarity	NPC128560
0.8623	High Similarity	NPC477640
0.8623	High Similarity	NPC225597
0.8623	High Similarity	NPC470739
0.8614	High Similarity	NPC475686
0.8614	High Similarity	NPC158148
0.8614	High Similarity	NPC266176
0.8614	High Similarity	NPC164429
0.8614	High Similarity	NPC82533
0.8614	High Similarity	NPC58766
0.8614	High Similarity	NPC290759
0.8606	High Similarity	NPC476432
0.8606	High Similarity	NPC24264
0.8599	High Similarity	NPC144863
0.8598	High Similarity	NPC1229
0.8596	High Similarity	NPC476575
0.859	High Similarity	NPC185838
0.8589	High Similarity	NPC27410
0.8589	High Similarity	NPC166014
0.8571	High Similarity	NPC76079
0.8563	High Similarity	NPC474475
0.8554	High Similarity	NPC298979
0.8554	High Similarity	NPC247389
0.8545	High Similarity	NPC225774
0.8545	High Similarity	NPC16805
0.8545	High Similarity	NPC167546
0.8545	High Similarity	NPC302527
0.8544	High Similarity	NPC147390
0.8544	High Similarity	NPC246587
0.8544	High Similarity	NPC135538
0.8544	High Similarity	NPC476571
0.8544	High Similarity	NPC428
0.8544	High Similarity	NPC24233
0.8519	High Similarity	NPC147091
0.8512	High Similarity	NPC239775
0.85	High Similarity	NPC81733
0.85	High Similarity	NPC326316
0.8494	Intermediate Similarity	NPC219341
0.8481	Intermediate Similarity	NPC321505
0.8481	Intermediate Similarity	NPC191376
0.8481	Intermediate Similarity	NPC179825
0.8481	Intermediate Similarity	NPC476151
0.8476	Intermediate Similarity	NPC119649
0.8476	Intermediate Similarity	NPC230956
0.8476	Intermediate Similarity	NPC205255
0.8476	Intermediate Similarity	NPC271388
0.8476	Intermediate Similarity	NPC235143
0.8471	Intermediate Similarity	NPC241704
0.8466	Intermediate Similarity	NPC117717
0.8462	Intermediate Similarity	NPC192135
0.8462	Intermediate Similarity	NPC477020
0.8462	Intermediate Similarity	NPC66341
0.8452	Intermediate Similarity	NPC477562
0.8452	Intermediate Similarity	NPC168753
0.8452	Intermediate Similarity	NPC474915
0.8452	Intermediate Similarity	NPC213206
0.8452	Intermediate Similarity	NPC328750
0.8452	Intermediate Similarity	NPC188163
0.8452	Intermediate Similarity	NPC118274
0.8452	Intermediate Similarity	NPC69712
0.8452	Intermediate Similarity	NPC26240
0.8443	Intermediate Similarity	NPC100566
0.8443	Intermediate Similarity	NPC190332
0.8443	Intermediate Similarity	NPC210918
0.8443	Intermediate Similarity	NPC181653
0.8438	Intermediate Similarity	NPC220858
0.8438	Intermediate Similarity	NPC151895
0.8438	Intermediate Similarity	NPC192768
0.8438	Intermediate Similarity	NPC274026
0.8438	Intermediate Similarity	NPC97221
0.8438	Intermediate Similarity	NPC88249
0.8424	Intermediate Similarity	NPC80759
0.8424	Intermediate Similarity	NPC79402
0.8415	Intermediate Similarity	NPC221864
0.8387	Intermediate Similarity	NPC314682
0.8382	Intermediate Similarity	NPC116284
0.8375	Intermediate Similarity	NPC103379
0.8375	Intermediate Similarity	NPC477565
0.8373	Intermediate Similarity	NPC320104
0.8372	Intermediate Similarity	NPC32154
0.8372	Intermediate Similarity	NPC220961
0.8372	Intermediate Similarity	NPC267408
0.8364	Intermediate Similarity	NPC266753
0.8364	Intermediate Similarity	NPC160298
0.8364	Intermediate Similarity	NPC232924
0.8364	Intermediate Similarity	NPC477559
0.8364	Intermediate Similarity	NPC306902
0.8363	Intermediate Similarity	NPC474470
0.8344	Intermediate Similarity	NPC207757
0.8344	Intermediate Similarity	NPC278799
0.8344	Intermediate Similarity	NPC193949
0.8344	Intermediate Similarity	NPC476567
0.8344	Intermediate Similarity	NPC469817
0.8344	Intermediate Similarity	NPC110416
0.8344	Intermediate Similarity	NPC5238
0.8344	Intermediate Similarity	NPC39701
0.8344	Intermediate Similarity	NPC172765
0.8344	Intermediate Similarity	NPC54379
0.8344	Intermediate Similarity	NPC128019
0.8344	Intermediate Similarity	NPC276588
0.8344	Intermediate Similarity	NPC189266
0.8344	Intermediate Similarity	NPC127674
0.8344	Intermediate Similarity	NPC2413
0.8344	Intermediate Similarity	NPC249797
0.8344	Intermediate Similarity	NPC184026
0.8344	Intermediate Similarity	NPC295691
0.8344	Intermediate Similarity	NPC204828
0.8344	Intermediate Similarity	NPC136860
0.8333	Intermediate Similarity	NPC135772
0.8324	Intermediate Similarity	NPC477561
0.8324	Intermediate Similarity	NPC476574
0.8324	Intermediate Similarity	NPC155442
0.8324	Intermediate Similarity	NPC312918
0.8313	Intermediate Similarity	NPC475959
0.8304	Intermediate Similarity	NPC477558
0.8303	Intermediate Similarity	NPC477080
0.8303	Intermediate Similarity	NPC111485
0.8295	Intermediate Similarity	NPC237579
0.8294	Intermediate Similarity	NPC149090
0.8294	Intermediate Similarity	NPC19520
0.8276	Intermediate Similarity	NPC275132
0.8276	Intermediate Similarity	NPC233718
0.8274	Intermediate Similarity	NPC264850
0.8274	Intermediate Similarity	NPC81247
0.8274	Intermediate Similarity	NPC124657
0.8274	Intermediate Similarity	NPC476573
0.8274	Intermediate Similarity	NPC35627
0.8274	Intermediate Similarity	NPC13916
0.8274	Intermediate Similarity	NPC195392
0.8266	Intermediate Similarity	NPC474507
0.8266	Intermediate Similarity	NPC244554
0.8261	Intermediate Similarity	NPC207824
0.8261	Intermediate Similarity	NPC60538
0.8261	Intermediate Similarity	NPC211296
0.8256	Intermediate Similarity	NPC237044
0.8253	Intermediate Similarity	NPC4304
0.8253	Intermediate Similarity	NPC97072
0.8253	Intermediate Similarity	NPC215829
0.825	Intermediate Similarity	NPC51957
0.825	Intermediate Similarity	NPC16107
0.825	Intermediate Similarity	NPC210437
0.825	Intermediate Similarity	NPC106295
0.825	Intermediate Similarity	NPC476144
0.8235	Intermediate Similarity	NPC6152
0.8235	Intermediate Similarity	NPC311991
0.8232	Intermediate Similarity	NPC123323

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC150879 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	158
0.1-0.2	635
0.2-0.3	822
0.3-0.4	1743
0.4-0.5	2610
0.5-0.6	1991
0.6-0.7	963
0.7-0.8	213
0.8-0.85	25
0.85-0.9	1
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.8868	High Similarity	NPD6818	Clinical (unspecified phase)
0.8485	Intermediate Similarity	NPD7201	Clinical (unspecified phase)
0.8452	Intermediate Similarity	NPD4664	Clinical (unspecified phase)
0.8408	Intermediate Similarity	NPD5241	Discontinued
0.8383	Intermediate Similarity	NPD3051	Approved
0.8333	Intermediate Similarity	NPD2970	Approved
0.8333	Intermediate Similarity	NPD2969	Approved
0.825	Intermediate Similarity	NPD4584	Approved
0.8176	Intermediate Similarity	NPD2489	Approved
0.8176	Intermediate Similarity	NPD27	Approved
0.8166	Intermediate Similarity	NPD6071	Discontinued
0.8165	Intermediate Similarity	NPD4237	Approved
0.8165	Intermediate Similarity	NPD4236	Phase 3
0.8144	Intermediate Similarity	NPD7833	Phase 2
0.8144	Intermediate Similarity	NPD7831	Phase 2
0.8144	Intermediate Similarity	NPD7832	Clinical (unspecified phase)
0.8136	Intermediate Similarity	NPD7906	Approved
0.8133	Intermediate Similarity	NPD2560	Approved
0.8133	Intermediate Similarity	NPD2563	Approved
0.8084	Intermediate Similarity	NPD4581	Clinical (unspecified phase)
0.8079	Intermediate Similarity	NPD4663	Approved
0.8061	Intermediate Similarity	NPD4773	Phase 2
0.8061	Intermediate Similarity	NPD4772	Phase 2
0.8012	Intermediate Similarity	NPD6783	Clinical (unspecified phase)
0.8011	Intermediate Similarity	NPD4577	Approved
0.8011	Intermediate Similarity	NPD4578	Approved
0.7966	Intermediate Similarity	NPD8053	Approved
0.7966	Intermediate Similarity	NPD8054	Approved
0.7937	Intermediate Similarity	NPD3060	Approved
0.7931	Intermediate Similarity	NPD8156	Discontinued
0.7874	Intermediate Similarity	NPD8252	Approved
0.7874	Intermediate Similarity	NPD8251	Approved
0.7874	Intermediate Similarity	NPD8099	Discontinued
0.787	Intermediate Similarity	NPD6788	Approved
0.7861	Intermediate Similarity	NPD4481	Phase 3
0.7853	Intermediate Similarity	NPD2420	Approved
0.7853	Intermediate Similarity	NPD2421	Approved
0.7831	Intermediate Similarity	NPD4017	Approved
0.7818	Intermediate Similarity	NPD6030	Approved
0.7818	Intermediate Similarity	NPD6031	Approved
0.7809	Intermediate Similarity	NPD7311	Approved
0.7809	Intermediate Similarity	NPD7312	Approved
0.7809	Intermediate Similarity	NPD7313	Approved
0.7809	Intermediate Similarity	NPD7310	Approved
0.7798	Intermediate Similarity	NPD7298	Approved
0.7791	Intermediate Similarity	NPD3845	Phase 1
0.7778	Intermediate Similarity	NPD7400	Phase 3
0.7772	Intermediate Similarity	NPD7667	Clinical (unspecified phase)
0.7765	Intermediate Similarity	NPD7309	Approved
0.7764	Intermediate Similarity	NPD7037	Approved
0.7759	Intermediate Similarity	NPD2898	Approved
0.7751	Intermediate Similarity	NPD5773	Approved
0.7751	Intermediate Similarity	NPD2977	Approved
0.7751	Intermediate Similarity	NPD2978	Approved
0.7751	Intermediate Similarity	NPD5772	Approved
0.7746	Intermediate Similarity	NPD4010	Discontinued
0.773	Intermediate Similarity	NPD5307	Clinical (unspecified phase)
0.7634	Intermediate Similarity	NPD2973	Approved
0.7634	Intermediate Similarity	NPD2975	Approved
0.7634	Intermediate Similarity	NPD2974	Approved
0.7622	Intermediate Similarity	NPD5084	Clinical (unspecified phase)
0.7619	Intermediate Similarity	NPD7261	Clinical (unspecified phase)
0.7619	Intermediate Similarity	NPD6523	Clinical (unspecified phase)
0.7607	Intermediate Similarity	NPD5177	Phase 3
0.7605	Intermediate Similarity	NPD3641	Approved
0.7605	Intermediate Similarity	NPD3640	Phase 3
0.7605	Intermediate Similarity	NPD3639	Approved
0.759	Intermediate Similarity	NPD4123	Phase 3
0.759	Intermediate Similarity	NPD1754	Clinical (unspecified phase)
0.7586	Intermediate Similarity	NPD7802	Discontinued
0.7578	Intermediate Similarity	NPD6028	Clinical (unspecified phase)
0.7578	Intermediate Similarity	NPD6029	Clinical (unspecified phase)
0.7572	Intermediate Similarity	NPD5709	Phase 3
0.7566	Intermediate Similarity	NPD3450	Approved
0.7566	Intermediate Similarity	NPD2493	Approved
0.7566	Intermediate Similarity	NPD2494	Approved
0.7566	Intermediate Similarity	NPD3452	Approved
0.7556	Intermediate Similarity	NPD8453	Clinical (unspecified phase)
0.7554	Intermediate Similarity	NPD2488	Approved
0.7554	Intermediate Similarity	NPD2490	Approved
0.7545	Intermediate Similarity	NPD6090	Discontinued
0.7542	Intermediate Similarity	NPD6297	Approved
0.7532	Intermediate Similarity	NPD5718	Phase 2
0.7529	Intermediate Similarity	NPD4666	Phase 3
0.7515	Intermediate Similarity	NPD4005	Discontinued
0.7514	Intermediate Similarity	NPD2971	Approved
0.7514	Intermediate Similarity	NPD2968	Approved
0.7513	Intermediate Similarity	NPD4580	Approved
0.75	Intermediate Similarity	NPD4162	Approved
0.75	Intermediate Similarity	NPD5976	Discontinued
0.7487	Intermediate Similarity	NPD5582	Discontinued
0.7486	Intermediate Similarity	NPD6107	Approved
0.7473	Intermediate Similarity	NPD6853	Approved
0.7473	Intermediate Similarity	NPD6851	Approved
0.7468	Intermediate Similarity	NPD2669	Clinical (unspecified phase)
0.7456	Intermediate Similarity	NPD4210	Discontinued
0.7448	Intermediate Similarity	NPD4583	Approved
0.7448	Intermediate Similarity	NPD4582	Approved
0.7446	Intermediate Similarity	NPD7243	Clinical (unspecified phase)
0.744	Intermediate Similarity	NPD5261	Clinical (unspecified phase)
0.7438	Intermediate Similarity	NPD3110	Approved
0.7438	Intermediate Similarity	NPD3109	Approved
0.7421	Intermediate Similarity	NPD6812	Clinical (unspecified phase)
0.7407	Intermediate Similarity	NPD4420	Approved
0.7405	Intermediate Similarity	NPD5752	Clinical (unspecified phase)
0.7403	Intermediate Similarity	NPD7039	Approved
0.7403	Intermediate Similarity	NPD7038	Approved
0.7401	Intermediate Similarity	NPD6687	Approved
0.7401	Intermediate Similarity	NPD6688	Approved
0.7396	Intermediate Similarity	NPD4004	Approved
0.7396	Intermediate Similarity	NPD4002	Approved
0.7375	Intermediate Similarity	NPD4475	Approved
0.7375	Intermediate Similarity	NPD4474	Approved
0.7368	Intermediate Similarity	NPD4678	Approved
0.7368	Intermediate Similarity	NPD4675	Approved
0.7365	Intermediate Similarity	NPD2422	Clinical (unspecified phase)
0.7362	Intermediate Similarity	NPD1753	Discontinued
0.7349	Intermediate Similarity	NPD6331	Phase 2
0.7348	Intermediate Similarity	NPD6996	Clinical (unspecified phase)
0.7346	Intermediate Similarity	NPD4579	Clinical (unspecified phase)
0.7345	Intermediate Similarity	NPD4166	Phase 2
0.7333	Intermediate Similarity	NPD42	Phase 2
0.7333	Intermediate Similarity	NPD6042	Phase 2
0.7329	Intermediate Similarity	NPD2238	Phase 2
0.7325	Intermediate Similarity	NPD4104	Clinical (unspecified phase)
0.7325	Intermediate Similarity	NPD4103	Phase 2
0.7321	Intermediate Similarity	NPD7213	Phase 3
0.7321	Intermediate Similarity	NPD7212	Phase 2
0.7318	Intermediate Similarity	NPD5602	Clinical (unspecified phase)
0.7314	Intermediate Similarity	NPD4055	Discovery
0.7314	Intermediate Similarity	NPD5604	Discontinued
0.7308	Intermediate Similarity	NPD4659	Approved
0.7301	Intermediate Similarity	NPD6895	Approved
0.7301	Intermediate Similarity	NPD6896	Approved
0.7291	Intermediate Similarity	NPD6997	Phase 2
0.7283	Intermediate Similarity	NPD7945	Clinical (unspecified phase)
0.7278	Intermediate Similarity	NPD7447	Phase 1
0.7273	Intermediate Similarity	NPD3808	Clinical (unspecified phase)
0.7263	Intermediate Similarity	NPD6607	Clinical (unspecified phase)
0.7262	Intermediate Similarity	NPD7124	Phase 2
0.7262	Intermediate Similarity	NPD6666	Approved
0.7262	Intermediate Similarity	NPD6667	Approved
0.7261	Intermediate Similarity	NPD7258	Clinical (unspecified phase)
0.7254	Intermediate Similarity	NPD5006	Approved
0.7254	Intermediate Similarity	NPD5005	Approved
0.7251	Intermediate Similarity	NPD3687	Approved
0.7251	Intermediate Similarity	NPD3686	Approved
0.725	Intermediate Similarity	NPD7047	Phase 3
0.7232	Intermediate Similarity	NPD5677	Discontinued
0.7225	Intermediate Similarity	NPD7438	Suspended
0.7225	Intermediate Similarity	NPD6072	Discontinued
0.7222	Intermediate Similarity	NPD5938	Phase 3
0.7219	Intermediate Similarity	NPD3124	Discontinued
0.7205	Intermediate Similarity	NPD7294	Phase 1
0.7202	Intermediate Similarity	NPD2677	Approved
0.7202	Intermediate Similarity	NPD5160	Discontinued
0.72	Intermediate Similarity	NPD5978	Approved
0.72	Intermediate Similarity	NPD5977	Approved
0.7193	Intermediate Similarity	NPD2122	Discontinued
0.7189	Intermediate Similarity	NPD7090	Clinical (unspecified phase)
0.7181	Intermediate Similarity	NPD5525	Clinical (unspecified phase)
0.7176	Intermediate Similarity	NPD7019	Approved
0.7176	Intermediate Similarity	NPD1424	Approved
0.7176	Intermediate Similarity	NPD7020	Approved
0.7174	Intermediate Similarity	NPD7132	Clinical (unspecified phase)
0.717	Intermediate Similarity	NPD6584	Phase 3
0.7169	Intermediate Similarity	NPD2029	Clinical (unspecified phase)
0.7169	Intermediate Similarity	NPD4726	Approved
0.7169	Intermediate Similarity	NPD7030	Discontinued
0.7169	Intermediate Similarity	NPD4725	Approved
0.7169	Intermediate Similarity	NPD4721	Approved
0.7165	Intermediate Similarity	NPD3057	Approved
0.716	Intermediate Similarity	NPD2674	Phase 3
0.7151	Intermediate Similarity	NPD6747	Phase 1
0.7143	Intermediate Similarity	NPD6658	Clinical (unspecified phase)
0.7143	Intermediate Similarity	NPD5312	Approved
0.7143	Intermediate Similarity	NPD7466	Approved
0.7143	Intermediate Similarity	NPD5155	Approved
0.7143	Intermediate Similarity	NPD5156	Approved
0.7143	Intermediate Similarity	NPD6748	Discontinued
0.7143	Intermediate Similarity	NPD5313	Approved
0.7135	Intermediate Similarity	NPD3534	Clinical (unspecified phase)
0.7135	Intermediate Similarity	NPD7280	Phase 3
0.7135	Intermediate Similarity	NPD2041	Clinical (unspecified phase)
0.7135	Intermediate Similarity	NPD2042	Clinical (unspecified phase)
0.7135	Intermediate Similarity	NPD7281	Phase 3
0.7134	Intermediate Similarity	NPD823	Approved
0.7134	Intermediate Similarity	NPD3052	Approved
0.7134	Intermediate Similarity	NPD817	Approved
0.7134	Intermediate Similarity	NPD3054	Approved
0.7118	Intermediate Similarity	NPD7598	Phase 2
0.7117	Intermediate Similarity	NPD3062	Approved
0.7117	Intermediate Similarity	NPD3059	Approved
0.7117	Intermediate Similarity	NPD3061	Approved
0.7108	Intermediate Similarity	NPD1632	Clinical (unspecified phase)
0.7105	Intermediate Similarity	NPD7262	Phase 1
0.7104	Intermediate Similarity	NPD7479	Phase 2
0.7102	Intermediate Similarity	NPD6063	Approved
0.7101	Intermediate Similarity	NPD3692	Discontinued
0.7098	Intermediate Similarity	NPD8095	Phase 1

Structure

CID150879 OpenBabel06191715522D 28 32 0 0 1 0 0 0 0 0999 V2000 4.3301 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 2.5000 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 -2.4049 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8171 -0.1910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 -3.5000 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 -1.8171 -1.8090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 -2.0000 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 2.5981 -0.5000 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 0.8660 -1.5000 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 3.4641 1.0000 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 0.8660 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8660 -1.5000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.0000 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 -3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 26 1 0 0 0 0 2 27 1 0 0 0 0 3 28 1 0 0 0 0 4 5 1 0 0 0 0 4 8 1 0 0 0 0 5 19 1 0 0 0 0 6 7 2 0 0 0 0 6 13 1 0 0 0 0 7 14 1 0 0 0 0 8 24 1 0 0 0 0 9 13 2 0 0 0 0 9 15 1 0 0 0 0 10 16 2 0 0 0 0 10 20 1 0 0 0 0 11 17 2 0 0 0 0 11 21 1 0 0 0 0 12 18 1 0 0 0 0 12 24 1 0 0 0 0 13 26 1 0 0 0 0 14 15 2 0 0 0 0 14 18 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 22 1 0 0 0 0 18 22 2 0 0 0 0 19 23 1 0 0 0 0 19 24 1 6 0 0 0 20 21 2 0 0 0 0 20 27 1 0 0 0 0 21 28 1 0 0 0 0 22 23 1 0 0 0 0 23 25 1 6 0 0 0 M END $$$$

External Identifiers

PubChem CID	46183346
ChEMBL	CHEMBL1958058
ZINC

Physicochemical Properties

Molecular Weight:	379.18
ALogP:	-1.2561
MLogP:	3.44
XLogP:	2.42
# Rotatable Bonds:	7
Polar Surface Area:	51.16
# H-Bond Aceptor:	2
# H-Bond Donor:	1
# Rings:	5
# Heavy Atoms:	28

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