NPASS Natural Product

Natural Product: NPC122463

Natural Product ID:	NPC122463
Common Name:	Melosmine
IUPAC Name:
Synonyms:	Melosmine
Molecular Formula:	C20H19NO4
Standard InCHIKey:	CUEIWVZJOPCMPT-UHFFFAOYSA-N
Standard InCHI:	InChI=1S/C20H19NO4/c1-20(2)13-9-10(22)5-6-11(13)14-15-12(7-8-21-19(15)20)17(24-3)18(25-4)16(14)23/h5-9,22-23H,1-4H3
Canonical SMILES:	COc1c(O)c2c3ccc(cc3C(c3c2c(c1OC)ccn3)(C)C)O
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
NPO10649	Guatteria ouregou	Species	Annonaceae	Eukaryota				PMID[8676127]

Biological Activity

Activity Type	# Activity
IC50	5
Others	2

Activity Type	# Activity
Individual Protein	5
Others	2

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT1857	Individual Protein	Dopamine D1 receptor	Rattus norvegicus	IC50	=	12500	nM	11754602
NPT2	Others	Unspecified		Ratio IC50	=	3.44		19177635
NPT1073	Individual Protein	Dopamine transporter	Rattus norvegicus	IC50	=	24600	nM	25668638
NPT1073	Individual Protein	Dopamine transporter	Rattus norvegicus	IC50	=	23600	nM	26132528
NPT1858	Individual Protein	Dopamine D2 receptor	Rattus norvegicus	IC50	=	80000	nM	23398362
NPT2	Others	Unspecified		Ratio IC50	=	0.53		16378378
NPT26	Individual Protein	Reverse transcriptase	Human immunodeficiency virus 1	IC50	>	200	ug/ml	2163456

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 NPC122463 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	457
0.1-0.2	1870
0.2-0.3	7262
0.3-0.4	5427
0.4-0.5	6177
0.5-0.6	7657
0.6-0.7	1594
0.7-0.8	381
0.8-0.85	45
0.85-0.9	17
0.9-0.95	2
0.95-1	0

Similarity Score	Similarity Level	Natural Product ID
0.9118	High Similarity	NPC473822
0.9029	High Similarity	NPC174049
0.894	High Similarity	NPC15406
0.892	High Similarity	NPC255800
0.892	High Similarity	NPC96584
0.8915	High Similarity	NPC201508
0.8873	High Similarity	NPC251160
0.878	High Similarity	NPC112206
0.878	High Similarity	NPC202605
0.8643	High Similarity	NPC224928
0.8629	High Similarity	NPC195268
0.8629	High Similarity	NPC133140
0.8618	High Similarity	NPC90875
0.8616	High Similarity	NPC77878
0.8611	High Similarity	NPC233334
0.8585	High Similarity	NPC118121
0.8571	High Similarity	NPC204446
0.8533	High Similarity	NPC183537
0.8507	High Similarity	NPC217554
0.8475	Intermediate Similarity	NPC284141
0.8439	Intermediate Similarity	NPC476581
0.8439	Intermediate Similarity	NPC36229
0.8439	Intermediate Similarity	NPC16452
0.8433	Intermediate Similarity	NPC24019
0.8416	Intermediate Similarity	NPC11408
0.8374	Intermediate Similarity	NPC476582
0.8374	Intermediate Similarity	NPC476578
0.8374	Intermediate Similarity	NPC4071
0.835	Intermediate Similarity	NPC164374
0.835	Intermediate Similarity	NPC137929
0.8349	Intermediate Similarity	NPC469792
0.8341	Intermediate Similarity	NPC210296
0.8311	Intermediate Similarity	NPC124313
0.8304	Intermediate Similarity	NPC84164
0.8304	Intermediate Similarity	NPC207283
0.8303	Intermediate Similarity	NPC476997
0.8293	Intermediate Similarity	NPC31930
0.8265	Intermediate Similarity	NPC476998
0.8265	Intermediate Similarity	NPC476996
0.8259	Intermediate Similarity	NPC114335
0.8259	Intermediate Similarity	NPC280964
0.8259	Intermediate Similarity	NPC141915
0.8255	Intermediate Similarity	NPC235076
0.8241	Intermediate Similarity	NPC210434
0.8238	Intermediate Similarity	NPC188420
0.8224	Intermediate Similarity	NPC100079
0.8224	Intermediate Similarity	NPC23614
0.8219	Intermediate Similarity	NPC476994
0.8208	Intermediate Similarity	NPC149471
0.8208	Intermediate Similarity	NPC271215
0.8161	Intermediate Similarity	NPC108342
0.816	Intermediate Similarity	NPC202768
0.816	Intermediate Similarity	NPC53069
0.816	Intermediate Similarity	NPC296482
0.8155	Intermediate Similarity	NPC477019
0.8152	Intermediate Similarity	NPC290689
0.8128	Intermediate Similarity	NPC200888
0.8125	Intermediate Similarity	NPC189903
0.8125	Intermediate Similarity	NPC182907
0.8102	Intermediate Similarity	NPC46451
0.8095	Intermediate Similarity	NPC313189
0.8089	Intermediate Similarity	NPC166722
0.8068	Intermediate Similarity	NPC234197
0.8037	Intermediate Similarity	NPC266931
0.7991	Intermediate Similarity	NPC22481
0.7991	Intermediate Similarity	NPC96405
0.7991	Intermediate Similarity	NPC171409
0.7972	Intermediate Similarity	NPC173080
0.7965	Intermediate Similarity	NPC476995
0.7962	Intermediate Similarity	NPC304183
0.7937	Intermediate Similarity	NPC278525
0.7931	Intermediate Similarity	NPC320088
0.7925	Intermediate Similarity	NPC135549
0.7874	Intermediate Similarity	NPC473053
0.787	Intermediate Similarity	NPC236668
0.7867	Intermediate Similarity	NPC469440
0.7854	Intermediate Similarity	NPC148409
0.7854	Intermediate Similarity	NPC469390
0.7834	Intermediate Similarity	NPC146976
0.7833	Intermediate Similarity	NPC276674
0.7833	Intermediate Similarity	NPC33902
0.7833	Intermediate Similarity	NPC61350
0.7814	Intermediate Similarity	NPC470020
0.7789	Intermediate Similarity	NPC239775
0.7788	Intermediate Similarity	NPC474594
0.7783	Intermediate Similarity	NPC119134
0.7778	Intermediate Similarity	NPC289786
0.7778	Intermediate Similarity	NPC134637
0.7746	Intermediate Similarity	NPC210256
0.7745	Intermediate Similarity	NPC302807
0.7739	Intermediate Similarity	NPC168753
0.7739	Intermediate Similarity	NPC118274
0.7686	Intermediate Similarity	NPC295228
0.7685	Intermediate Similarity	NPC474507
0.767	Intermediate Similarity	NPC22928
0.7665	Intermediate Similarity	NPC476999
0.7661	Intermediate Similarity	NPC316981
0.766	Intermediate Similarity	NPC270515
0.765	Intermediate Similarity	NPC312872
0.7645	Intermediate Similarity	NPC132385
0.7635	Intermediate Similarity	NPC190461
0.7621	Intermediate Similarity	NPC180253
0.7621	Intermediate Similarity	NPC219170
0.7615	Intermediate Similarity	NPC208284
0.7612	Intermediate Similarity	NPC231371
0.7593	Intermediate Similarity	NPC474595
0.7586	Intermediate Similarity	NPC148709
0.7586	Intermediate Similarity	NPC476577
0.7586	Intermediate Similarity	NPC173416
0.7581	Intermediate Similarity	NPC264166
0.7581	Intermediate Similarity	NPC274291
0.7581	Intermediate Similarity	NPC165349
0.7581	Intermediate Similarity	NPC329708
0.7581	Intermediate Similarity	NPC47059
0.7581	Intermediate Similarity	NPC118832
0.7578	Intermediate Similarity	NPC54066
0.7574	Intermediate Similarity	NPC107123
0.757	Intermediate Similarity	NPC66815
0.7566	Intermediate Similarity	NPC214980
0.755	Intermediate Similarity	NPC81218
0.755	Intermediate Similarity	NPC117188
0.755	Intermediate Similarity	NPC306555
0.755	Intermediate Similarity	NPC12053
0.755	Intermediate Similarity	NPC205421
0.755	Intermediate Similarity	NPC158376
0.755	Intermediate Similarity	NPC474931
0.755	Intermediate Similarity	NPC145832
0.7545	Intermediate Similarity	NPC162530
0.7538	Intermediate Similarity	NPC306843
0.7538	Intermediate Similarity	NPC78222
0.7538	Intermediate Similarity	NPC253043
0.7538	Intermediate Similarity	NPC212794
0.7538	Intermediate Similarity	NPC477563
0.7538	Intermediate Similarity	NPC196447
0.7538	Intermediate Similarity	NPC136508
0.7538	Intermediate Similarity	NPC13504
0.7538	Intermediate Similarity	NPC96603
0.7524	Intermediate Similarity	NPC28425
0.7524	Intermediate Similarity	NPC276060
0.7524	Intermediate Similarity	NPC78284
0.7523	Intermediate Similarity	NPC473513
0.7511	Intermediate Similarity	NPC280272
0.75	Intermediate Similarity	NPC473183
0.7488	Intermediate Similarity	NPC285941
0.7488	Intermediate Similarity	NPC85381
0.7487	Intermediate Similarity	NPC324144
0.7479	Intermediate Similarity	NPC129897
0.7477	Intermediate Similarity	NPC470931
0.7476	Intermediate Similarity	NPC119579
0.7476	Intermediate Similarity	NPC62069
0.7476	Intermediate Similarity	NPC318805
0.7476	Intermediate Similarity	NPC41122
0.7465	Intermediate Similarity	NPC127085
0.7458	Intermediate Similarity	NPC208522
0.7446	Intermediate Similarity	NPC473182
0.7441	Intermediate Similarity	NPC478093
0.7431	Intermediate Similarity	NPC193777
0.743	Intermediate Similarity	NPC287437
0.7427	Intermediate Similarity	NPC192939
0.7427	Intermediate Similarity	NPC311936
0.7427	Intermediate Similarity	NPC215747
0.7424	Intermediate Similarity	NPC246381
0.7418	Intermediate Similarity	NPC234318
0.7414	Intermediate Similarity	NPC473184
0.7413	Intermediate Similarity	NPC68328
0.7412	Intermediate Similarity	NPC470018
0.7409	Intermediate Similarity	NPC11464
0.7407	Intermediate Similarity	NPC135887
0.7407	Intermediate Similarity	NPC199277
0.7406	Intermediate Similarity	NPC478092
0.7406	Intermediate Similarity	NPC478091
0.7406	Intermediate Similarity	NPC30182
0.7406	Intermediate Similarity	NPC473589
0.7402	Intermediate Similarity	NPC477020
0.7402	Intermediate Similarity	NPC192135
0.7402	Intermediate Similarity	NPC66341
0.74	Intermediate Similarity	NPC1229
0.7393	Intermediate Similarity	NPC294244
0.7389	Intermediate Similarity	NPC26240
0.7389	Intermediate Similarity	NPC69712
0.7389	Intermediate Similarity	NPC477562
0.7387	Intermediate Similarity	NPC166014
0.7387	Intermediate Similarity	NPC27410
0.7381	Intermediate Similarity	NPC476576
0.7381	Intermediate Similarity	NPC474904
0.7381	Intermediate Similarity	NPC186546
0.7381	Intermediate Similarity	NPC312531
0.738	Intermediate Similarity	NPC74575
0.7379	Intermediate Similarity	NPC260118
0.7355	Intermediate Similarity	NPC478045
0.735	Intermediate Similarity	NPC60186
0.7346	Intermediate Similarity	NPC82763
0.7345	Intermediate Similarity	NPC469439
0.7339	Intermediate Similarity	NPC277351
0.733	Intermediate Similarity	NPC265383
0.7328	Intermediate Similarity	NPC49547
0.7327	Intermediate Similarity	NPC13916
0.7327	Intermediate Similarity	NPC264850
0.7325	Intermediate Similarity	NPC322482
0.7324	Intermediate Similarity	NPC29472

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC122463 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	272
0.1-0.2	690
0.2-0.3	1009
0.3-0.4	1507
0.4-0.5	2529
0.5-0.6	2281
0.6-0.7	740
0.7-0.8	123
0.8-0.85	6
0.85-0.9	4
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.8629	High Similarity	NPD3922	Approved
0.8629	High Similarity	NPD3923	Approved
0.8629	High Similarity	NPD3921	Approved
0.8629	High Similarity	NPD3924	Approved
0.8235	Intermediate Similarity	NPD6494	Phase 2
0.816	Intermediate Similarity	NPD3816	Phase 1
0.816	Intermediate Similarity	NPD3815	Phase 1
0.8112	Intermediate Similarity	NPD7169	Suspended
0.8102	Intermediate Similarity	NPD3763	Approved
0.8071	Intermediate Similarity	NPD3920	Phase 2
0.799	Intermediate Similarity	NPD7414	Clinical (unspecified phase)
0.7951	Intermediate Similarity	NPD6361	Phase 2
0.79	Intermediate Similarity	NPD3386	Phase 2
0.7897	Intermediate Similarity	NPD6503	Clinical (unspecified phase)
0.7833	Intermediate Similarity	NPD4375	Approved
0.7742	Intermediate Similarity	NPD7069	Discontinued
0.7711	Intermediate Similarity	NPD1620	Clinical (unspecified phase)
0.7707	Intermediate Similarity	NPD6257	Clinical (unspecified phase)
0.7662	Intermediate Similarity	NPD5751	Clinical (unspecified phase)
0.7653	Intermediate Similarity	NPD6477	Clinical (unspecified phase)
0.7628	Intermediate Similarity	NPD5530	Phase 1
0.7581	Intermediate Similarity	NPD4036	Approved
0.7581	Intermediate Similarity	NPD4039	Approved
0.7581	Intermediate Similarity	NPD4033	Approved
0.7581	Intermediate Similarity	NPD4035	Approved
0.7581	Intermediate Similarity	NPD4037	Approved
0.7581	Intermediate Similarity	NPD4034	Approved
0.7581	Intermediate Similarity	NPD4122	Approved
0.7581	Intermediate Similarity	NPD32	Approved
0.7581	Intermediate Similarity	NPD31	Approved
0.7581	Intermediate Similarity	NPD4038	Approved
0.756	Intermediate Similarity	NPD6569	Phase 2
0.7524	Intermediate Similarity	NPD4551	Phase 2
0.7522	Intermediate Similarity	NPD7558	Phase 2
0.7512	Intermediate Similarity	NPD7222	Phase 2
0.751	Intermediate Similarity	NPD6773	Clinical (unspecified phase)
0.7489	Intermediate Similarity	NPD6964	Approved
0.7489	Intermediate Similarity	NPD6963	Approved
0.7477	Intermediate Similarity	NPD5612	Discontinued
0.7455	Intermediate Similarity	NPD4502	Phase 2
0.745	Intermediate Similarity	NPD6872	Clinical (unspecified phase)
0.7447	Intermediate Similarity	NPD1483	Discontinued
0.744	Intermediate Similarity	NPD4889	Approved
0.7427	Intermediate Similarity	NPD5522	Clinical (unspecified phase)
0.7407	Intermediate Similarity	NPD6975	Discontinued
0.7389	Intermediate Similarity	NPD1923	Clinical (unspecified phase)
0.7384	Intermediate Similarity	NPD6230	Discontinued
0.738	Intermediate Similarity	NPD6553	Clinical (unspecified phase)
0.7348	Intermediate Similarity	NPD7555	Discontinued
0.7318	Intermediate Similarity	NPD5658	Approved
0.7315	Intermediate Similarity	NPD6219	Discontinued
0.7295	Intermediate Similarity	NPD8091	Phase 3
0.7281	Intermediate Similarity	NPD1856	Discontinued
0.7273	Intermediate Similarity	NPD7452	Approved
0.7273	Intermediate Similarity	NPD7859	Phase 2
0.7273	Intermediate Similarity	NPD7453	Approved
0.7269	Intermediate Similarity	NPD5930	Phase 3
0.7261	Intermediate Similarity	NPD6525	Clinical (unspecified phase)
0.7238	Intermediate Similarity	NPD4350	Approved
0.7238	Intermediate Similarity	NPD4349	Approved
0.7232	Intermediate Similarity	NPD7571	Clinical (unspecified phase)
0.7227	Intermediate Similarity	NPD4305	Clinical (unspecified phase)
0.7227	Intermediate Similarity	NPD4875	Phase 3
0.7227	Intermediate Similarity	NPD4876	Phase 3
0.722	Intermediate Similarity	NPD4131	Phase 3
0.7215	Intermediate Similarity	NPD4044	Discontinued
0.7196	Intermediate Similarity	NPD1038	Approved
0.7186	Intermediate Similarity	NPD7674	Phase 3
0.7186	Intermediate Similarity	NPD7676	Clinical (unspecified phase)
0.7186	Intermediate Similarity	NPD7675	Phase 3
0.7183	Intermediate Similarity	NPD2334	Discontinued
0.7162	Intermediate Similarity	NPD2739	Clinical (unspecified phase)
0.7156	Intermediate Similarity	NPD4396	Clinical (unspecified phase)
0.7136	Intermediate Similarity	NPD5602	Clinical (unspecified phase)
0.713	Intermediate Similarity	NPD1954	Phase 1
0.713	Intermediate Similarity	NPD4437	Phase 3
0.7124	Intermediate Similarity	NPD5903	Approved
0.7124	Intermediate Similarity	NPD5902	Approved
0.7122	Intermediate Similarity	NPD1078	Clinical (unspecified phase)
0.7118	Intermediate Similarity	NPD6856	Discontinued
0.7118	Intermediate Similarity	NPD5070	Clinical (unspecified phase)
0.7117	Intermediate Similarity	NPD5429	Discontinued
0.7113	Intermediate Similarity	NPD7417	Discontinued
0.7109	Intermediate Similarity	NPD8053	Approved
0.7109	Intermediate Similarity	NPD8054	Approved
0.7108	Intermediate Similarity	NPD2781	Approved
0.7104	Intermediate Similarity	NPD4795	Phase 2
0.7098	Intermediate Similarity	NPD6262	Clinical (unspecified phase)
0.7094	Intermediate Similarity	NPD2782	Approved
0.7094	Intermediate Similarity	NPD2780	Approved
0.7094	Intermediate Similarity	NPD7567	Approved
0.7092	Intermediate Similarity	NPD7673	Phase 3
0.7091	Intermediate Similarity	NPD7123	Suspended
0.7085	Intermediate Similarity	NPD7672	Approved
0.7085	Intermediate Similarity	NPD7671	Approved
0.7083	Intermediate Similarity	NPD4418	Discontinued
0.7083	Intermediate Similarity	NPD6491	Clinical (unspecified phase)
0.7074	Intermediate Similarity	NPD6500	Approved
0.7074	Intermediate Similarity	NPD6501	Approved
0.7073	Intermediate Similarity	NPD4724	Clinical (unspecified phase)
0.7071	Intermediate Similarity	NPD8016	Phase 3
0.7071	Intermediate Similarity	NPD7885	Phase 2
0.7071	Intermediate Similarity	NPD8017	Clinical (unspecified phase)
0.7071	Intermediate Similarity	NPD7886	Phase 2
0.7067	Intermediate Similarity	NPD5936	Approved
0.7067	Intermediate Similarity	NPD5939	Approved
0.7066	Intermediate Similarity	NPD5488	Discontinued
0.7062	Intermediate Similarity	NPD5083	Clinical (unspecified phase)
0.7056	Intermediate Similarity	NPD6281	Approved
0.7056	Intermediate Similarity	NPD7955	Approved
0.7056	Intermediate Similarity	NPD7956	Approved
0.7048	Intermediate Similarity	NPD4203	Approved
0.7048	Intermediate Similarity	NPD4204	Approved
0.7039	Intermediate Similarity	NPD7426	Phase 1
0.7037	Intermediate Similarity	NPD1304	Clinical (unspecified phase)
0.7031	Intermediate Similarity	NPD6568	Discontinued
0.7031	Intermediate Similarity	NPD7395	Discontinued
0.7029	Intermediate Similarity	NPD7729	Clinical (unspecified phase)
0.7028	Intermediate Similarity	NPD7708	Approved
0.7028	Intermediate Similarity	NPD6344	Clinical (unspecified phase)
0.7021	Intermediate Similarity	NPD8052	Clinical (unspecified phase)
0.7019	Intermediate Similarity	NPD5100	Phase 3
0.7018	Intermediate Similarity	NPD2952	Discontinued
0.7018	Intermediate Similarity	NPD7948	Phase 1
0.7013	Intermediate Similarity	NPD5147	Discontinued
0.7009	Intermediate Similarity	NPD4021	Phase 2
0.7009	Intermediate Similarity	NPD5863	Clinical (unspecified phase)
0.7008	Intermediate Similarity	NPD8350	Clinical (unspecified phase)
0.7005	Intermediate Similarity	NPD3395	Approved
0.7005	Intermediate Similarity	NPD3396	Approved
0.7004	Intermediate Similarity	NPD8442	Discontinued
0.7	Intermediate Similarity	NPD1740	Approved
0.7	Intermediate Similarity	NPD1739	Approved
0.6991	Remote Similarity	NPD6220	Phase 3
0.6987	Remote Similarity	NPD5805	Approved
0.6986	Remote Similarity	NPD6159	Phase 2
0.6986	Remote Similarity	NPD7889	Clinical (unspecified phase)
0.6979	Remote Similarity	NPD7710	Clinical (unspecified phase)
0.6972	Remote Similarity	NPD3477	Phase 2
0.6972	Remote Similarity	NPD3478	Clinical (unspecified phase)
0.6964	Remote Similarity	NPD6290	Phase 2
0.6959	Remote Similarity	NPD5575	Clinical (unspecified phase)
0.6957	Remote Similarity	NPD3354	Phase 2
0.6957	Remote Similarity	NPD4083	Discontinued
0.6955	Remote Similarity	NPD2177	Approved
0.6955	Remote Similarity	NPD4118	Clinical (unspecified phase)
0.6955	Remote Similarity	NPD2175	Phase 3
0.6955	Remote Similarity	NPD2176	Approved
0.6949	Remote Similarity	NPD5801	Clinical (unspecified phase)
0.693	Remote Similarity	NPD7906	Approved
0.6917	Remote Similarity	NPD7803	Approved
0.6916	Remote Similarity	NPD5067	Phase 2
0.6916	Remote Similarity	NPD5066	Phase 2
0.6906	Remote Similarity	NPD6991	Approved
0.69	Remote Similarity	NPD6140	Clinical (unspecified phase)
0.6895	Remote Similarity	NPD6550	Discontinued
0.6892	Remote Similarity	NPD7134	Clinical (unspecified phase)
0.6889	Remote Similarity	NPD1392	Approved
0.6887	Remote Similarity	NPD7684	Approved
0.6887	Remote Similarity	NPD7682	Approved
0.6883	Remote Similarity	NPD8109	Clinical (unspecified phase)
0.6878	Remote Similarity	NPD4052	Clinical (unspecified phase)
0.6866	Remote Similarity	NPD6656	Clinical (unspecified phase)
0.6865	Remote Similarity	NPD7862	Clinical (unspecified phase)
0.6862	Remote Similarity	NPD4080	Discontinued
0.686	Remote Similarity	NPD5905	Phase 1
0.6856	Remote Similarity	NPD5945	Phase 1
0.6856	Remote Similarity	NPD5944	Phase 1
0.6849	Remote Similarity	NPD6590	Discontinued
0.6849	Remote Similarity	NPD6861	Clinical (unspecified phase)
0.6844	Remote Similarity	NPD3003	Approved
0.6842	Remote Similarity	NPD27	Approved
0.6842	Remote Similarity	NPD2489	Approved
0.6842	Remote Similarity	NPD6607	Clinical (unspecified phase)
0.6842	Remote Similarity	NPD7927	Clinical (unspecified phase)
0.684	Remote Similarity	NPD7823	Clinical (unspecified phase)
0.684	Remote Similarity	NPD5164	Discontinued
0.6827	Remote Similarity	NPD4926	Clinical (unspecified phase)
0.6827	Remote Similarity	NPD3051	Approved
0.6822	Remote Similarity	NPD4578	Approved
0.6822	Remote Similarity	NPD4577	Approved
0.682	Remote Similarity	NPD4885	Approved
0.6814	Remote Similarity	NPD7263	Phase 2
0.6812	Remote Similarity	NPD7201	Clinical (unspecified phase)
0.6806	Remote Similarity	NPD4663	Approved
0.6803	Remote Similarity	NPD5833	Phase 1
0.6802	Remote Similarity	NPD3837	Clinical (unspecified phase)
0.6802	Remote Similarity	NPD3825	Phase 3
0.6802	Remote Similarity	NPD5999	Phase 2
0.68	Remote Similarity	NPD3397	Phase 2
0.6797	Remote Similarity	NPD7112	Discontinued
0.6795	Remote Similarity	NPD4881	Clinical (unspecified phase)
0.6794	Remote Similarity	NPD2970	Approved
0.6794	Remote Similarity	NPD2969	Approved
0.6792	Remote Similarity	NPD5040	Clinical (unspecified phase)
0.6787	Remote Similarity	NPD1229	Phase 2
0.6784	Remote Similarity	NPD2421	Approved
0.6784	Remote Similarity	NPD2420	Approved
0.678	Remote Similarity	NPD7719	Discontinued
0.6778	Remote Similarity	NPD4995	Approved

Structure

NPC122463 OpenBabel07101719242D 25 28 0 0 0 0 0 0 0 0999 V2000 -2.4392 0.7071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8082 0.3827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4613 -4.3638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 -4.5860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3301 -1.5000 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 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 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 -4.3301 -0.5000 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 0.0000 -2.0000 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 -2.0000 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 -1.5605 -2.7515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1715 -2.7515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 -3.0860 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 -1.7321 -0.0000 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 -5.1962 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3424 -3.3750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6103 -3.3750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 -4.0860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 2 20 1 0 0 0 0 3 24 1 0 0 0 0 4 25 1 0 0 0 0 5 6 2 0 0 0 0 5 10 1 0 0 0 0 6 11 1 0 0 0 0 7 8 2 0 0 0 0 7 12 1 0 0 0 0 8 21 1 0 0 0 0 9 10 2 0 0 0 0 9 13 1 0 0 0 0 10 22 1 0 0 0 0 11 13 2 0 0 0 0 11 14 1 0 0 0 0 12 15 2 0 0 0 0 12 17 1 0 0 0 0 13 20 1 0 0 0 0 14 15 1 0 0 0 0 14 16 2 0 0 0 0 15 19 1 0 0 0 0 16 18 1 0 0 0 0 16 23 1 0 0 0 0 17 18 2 0 0 0 0 17 24 1 0 0 0 0 18 25 1 0 0 0 0 19 20 1 0 0 0 0 19 21 2 0 0 0 0 M END $$$$

External Identifiers

PubChem CID
ChEMBL	CHEMBL257958
ZINC

Physicochemical Properties

Molecular Weight:	337.13
ALogP:	-0.11
MLogP:	3.11
XLogP:	2.185
# Rotatable Bonds:	8
Polar Surface Area:	71.81
# H-Bond Aceptor:	1
# H-Bond Donor:	2
# Rings:	4
# Heavy Atoms:	25

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