NPASS Natural Product

Natural Product: NPC63152

Natural Product ID:	NPC63152
Common Name:	Distichamine
IUPAC Name:
Synonyms:	Distichamine
Molecular Formula:	C18H19NO5
Standard InCHIKey:	FNYADSSSNOZMIA-KDOFPFPSSA-N
Standard InCHI:	InChI=1S/C18H19NO5/c1-21-10-5-14-18(15(20)6-10)3-4-19(14)8-11-12(18)7-13-17(16(11)22-2)24-9-23-13/h6-7,14H,3-5,8-9H2,1-2H3/t14-,18+/m1/s1
Canonical SMILES:	COC1=CC(=O)[C@@]23[C@@H](C1)N(CC2)Cc1c3cc2OCOc2c1OC
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
NPO33437	amaryllidaceae	Family	Amaryllidaceae	Eukaryota				PMID[22921081]

Biological Activity

Activity Type	# Activity
IC50	6
Others	2

Activity Type	# Activity
Cell Line	8

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT83	Cell Line	MCF7	Homo sapiens	IC50	=	2300	nM	17190448
NPT111	Cell Line	K562	Homo sapiens	IC50	=	4100	nM	PubChem BioAssay data set
NPT1160	Cell Line	BJ	Homo sapiens	IC50	=	10500	nM	26836364
NPT404	Cell Line	CCRF-CEM	Homo sapiens	Activity	=	23.7	%	25819096
NPT165	Cell Line	HeLa	Homo sapiens	IC50	=	2200	nM	18056275
NPT404	Cell Line	CCRF-CEM	Homo sapiens	IC50	=	4500	nM	8133298
NPT2468	Cell Line	G-361	Homo sapiens	IC50	=	14700	nM	22182501
NPT404	Cell Line	CCRF-CEM	Homo sapiens	FC	=	12.5		PubChem BioAssay data set

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 NPC63152 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	273
0.1-0.2	1238
0.2-0.3	3213
0.3-0.4	8294
0.4-0.5	4699
0.5-0.6	7019
0.6-0.7	5543
0.7-0.8	547
0.8-0.85	61
0.85-0.9	2
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Natural Product ID
0.8844	High Similarity	NPC75958
0.8547	High Similarity	NPC244554
0.8466	Intermediate Similarity	NPC328700
0.8466	Intermediate Similarity	NPC2173
0.8466	Intermediate Similarity	NPC119818
0.8466	Intermediate Similarity	NPC202771
0.8371	Intermediate Similarity	NPC65403
0.8333	Intermediate Similarity	NPC80472
0.8315	Intermediate Similarity	NPC474708
0.8294	Intermediate Similarity	NPC223125
0.8278	Intermediate Similarity	NPC308267
0.827	Intermediate Similarity	NPC141440
0.8261	Intermediate Similarity	NPC9867
0.8258	Intermediate Similarity	NPC475845
0.8254	Intermediate Similarity	NPC73020
0.8254	Intermediate Similarity	NPC14622
0.8254	Intermediate Similarity	NPC215098
0.8254	Intermediate Similarity	NPC46744
0.8254	Intermediate Similarity	NPC124302
0.8254	Intermediate Similarity	NPC70290
0.8251	Intermediate Similarity	NPC102760
0.8208	Intermediate Similarity	NPC78733
0.8202	Intermediate Similarity	NPC57812
0.8202	Intermediate Similarity	NPC474324
0.8198	Intermediate Similarity	NPC223124
0.8182	Intermediate Similarity	NPC226708
0.8176	Intermediate Similarity	NPC59907
0.8176	Intermediate Similarity	NPC37144
0.8168	Intermediate Similarity	NPC226652
0.8168	Intermediate Similarity	NPC120671
0.8168	Intermediate Similarity	NPC72788
0.8168	Intermediate Similarity	NPC314100
0.8167	Intermediate Similarity	NPC303581
0.8167	Intermediate Similarity	NPC67978
0.8156	Intermediate Similarity	NPC266176
0.8156	Intermediate Similarity	NPC82533
0.8156	Intermediate Similarity	NPC290759
0.8156	Intermediate Similarity	NPC86469
0.8156	Intermediate Similarity	NPC158148
0.8142	Intermediate Similarity	NPC27887
0.8132	Intermediate Similarity	NPC474470
0.8118	Intermediate Similarity	NPC230098
0.8111	Intermediate Similarity	NPC311991
0.809	Intermediate Similarity	NPC180306
0.8087	Intermediate Similarity	NPC15919
0.8075	Intermediate Similarity	NPC208890
0.8075	Intermediate Similarity	NPC166979
0.8066	Intermediate Similarity	NPC470739
0.8066	Intermediate Similarity	NPC19520
0.8066	Intermediate Similarity	NPC477640
0.8066	Intermediate Similarity	NPC225597
0.8066	Intermediate Similarity	NPC149090
0.8056	Intermediate Similarity	NPC58766
0.8056	Intermediate Similarity	NPC475686
0.8053	Intermediate Similarity	NPC33256
0.8043	Intermediate Similarity	NPC149285
0.8043	Intermediate Similarity	NPC474745
0.8021	Intermediate Similarity	NPC477259
0.8021	Intermediate Similarity	NPC169387
0.8011	Intermediate Similarity	NPC475981
0.8011	Intermediate Similarity	NPC474746
0.8011	Intermediate Similarity	NPC474475
0.8	Intermediate Similarity	NPC100566
0.7989	Intermediate Similarity	NPC247972
0.7989	Intermediate Similarity	NPC474325
0.7978	Intermediate Similarity	NPC304675
0.7955	Intermediate Similarity	NPC234392
0.7955	Intermediate Similarity	NPC31311
0.7935	Intermediate Similarity	NPC237044
0.7935	Intermediate Similarity	NPC35680
0.7933	Intermediate Similarity	NPC320104
0.7929	Intermediate Similarity	NPC46990
0.7921	Intermediate Similarity	NPC97072
0.7921	Intermediate Similarity	NPC215829
0.7901	Intermediate Similarity	NPC181653
0.7901	Intermediate Similarity	NPC190332
0.7901	Intermediate Similarity	NPC210918
0.7898	Intermediate Similarity	NPC216459
0.7898	Intermediate Similarity	NPC41178
0.7898	Intermediate Similarity	NPC138487
0.7897	Intermediate Similarity	NPC286135
0.7892	Intermediate Similarity	NPC121400
0.7889	Intermediate Similarity	NPC231198
0.7887	Intermediate Similarity	NPC474427
0.7886	Intermediate Similarity	NPC210148
0.7886	Intermediate Similarity	NPC233029
0.788	Intermediate Similarity	NPC187678
0.7865	Intermediate Similarity	NPC125924
0.7865	Intermediate Similarity	NPC106786
0.7865	Intermediate Similarity	NPC470646
0.7861	Intermediate Similarity	NPC73492
0.7861	Intermediate Similarity	NPC475959
0.7861	Intermediate Similarity	NPC299990
0.7853	Intermediate Similarity	NPC146288
0.7835	Intermediate Similarity	NPC207239
0.7833	Intermediate Similarity	NPC59567
0.7833	Intermediate Similarity	NPC476569
0.7824	Intermediate Similarity	NPC475713
0.7824	Intermediate Similarity	NPC474432
0.7812	Intermediate Similarity	NPC469815
0.7812	Intermediate Similarity	NPC469816
0.7802	Intermediate Similarity	NPC284842
0.7801	Intermediate Similarity	NPC475597
0.7801	Intermediate Similarity	NPC473716
0.7796	Intermediate Similarity	NPC118633
0.7796	Intermediate Similarity	NPC294790
0.7796	Intermediate Similarity	NPC148693
0.779	Intermediate Similarity	NPC167546
0.779	Intermediate Similarity	NPC302527
0.779	Intermediate Similarity	NPC16805
0.7784	Intermediate Similarity	NPC148898
0.7778	Intermediate Similarity	NPC18306
0.7778	Intermediate Similarity	NPC153631
0.7778	Intermediate Similarity	NPC214629
0.7772	Intermediate Similarity	NPC477258
0.7765	Intermediate Similarity	NPC118804
0.7754	Intermediate Similarity	NPC258695
0.7754	Intermediate Similarity	NPC470879
0.7747	Intermediate Similarity	NPC476432
0.7747	Intermediate Similarity	NPC24264
0.7735	Intermediate Similarity	NPC218614
0.7732	Intermediate Similarity	NPC24228
0.7725	Intermediate Similarity	NPC83511
0.7725	Intermediate Similarity	NPC116007
0.7722	Intermediate Similarity	NPC26353
0.7713	Intermediate Similarity	NPC32413
0.7713	Intermediate Similarity	NPC474506
0.7708	Intermediate Similarity	NPC196231
0.7705	Intermediate Similarity	NPC247389
0.7701	Intermediate Similarity	NPC23219
0.7692	Intermediate Similarity	NPC225774
0.7692	Intermediate Similarity	NPC306669
0.7692	Intermediate Similarity	NPC193906
0.7692	Intermediate Similarity	NPC24465
0.7692	Intermediate Similarity	NPC23080
0.7668	Intermediate Similarity	NPC94499
0.7656	Intermediate Similarity	NPC82763
0.7656	Intermediate Similarity	NPC281581
0.765	Intermediate Similarity	NPC264850
0.765	Intermediate Similarity	NPC219341
0.765	Intermediate Similarity	NPC476002
0.765	Intermediate Similarity	NPC13916
0.7647	Intermediate Similarity	NPC222524
0.7647	Intermediate Similarity	NPC112575
0.7644	Intermediate Similarity	NPC162694
0.7634	Intermediate Similarity	NPC2314
0.7619	Intermediate Similarity	NPC115906
0.7609	Intermediate Similarity	NPC252960
0.76	Intermediate Similarity	NPC87295
0.7598	Intermediate Similarity	NPC169742
0.7598	Intermediate Similarity	NPC93593
0.7596	Intermediate Similarity	NPC276944
0.7596	Intermediate Similarity	NPC238530
0.7596	Intermediate Similarity	NPC232514
0.7577	Intermediate Similarity	NPC24260
0.7569	Intermediate Similarity	NPC477080
0.7568	Intermediate Similarity	NPC204908
0.7568	Intermediate Similarity	NPC83198
0.7554	Intermediate Similarity	NPC474858
0.7552	Intermediate Similarity	NPC57036
0.7552	Intermediate Similarity	NPC214116
0.7552	Intermediate Similarity	NPC474009
0.754	Intermediate Similarity	NPC4669
0.7538	Intermediate Similarity	NPC475747
0.7536	Intermediate Similarity	NPC195120
0.7536	Intermediate Similarity	NPC87560
0.7529	Intermediate Similarity	NPC7018
0.7528	Intermediate Similarity	NPC476579
0.7528	Intermediate Similarity	NPC218575
0.7528	Intermediate Similarity	NPC119669
0.7527	Intermediate Similarity	NPC6152
0.7527	Intermediate Similarity	NPC232924
0.7527	Intermediate Similarity	NPC266753
0.7527	Intermediate Similarity	NPC306902
0.7527	Intermediate Similarity	NPC477559
0.7527	Intermediate Similarity	NPC160298
0.7525	Intermediate Similarity	NPC475654
0.7514	Intermediate Similarity	NPC470088
0.7513	Intermediate Similarity	NPC186546
0.7513	Intermediate Similarity	NPC476576
0.75	Intermediate Similarity	NPC476144
0.75	Intermediate Similarity	NPC16107
0.75	Intermediate Similarity	NPC39103
0.75	Intermediate Similarity	NPC128560
0.75	Intermediate Similarity	NPC2770
0.75	Intermediate Similarity	NPC199465
0.75	Intermediate Similarity	NPC106295
0.75	Intermediate Similarity	NPC174783
0.75	Intermediate Similarity	NPC51957
0.75	Intermediate Similarity	NPC210437
0.75	Intermediate Similarity	NPC229166
0.7487	Intermediate Similarity	NPC317145
0.7487	Intermediate Similarity	NPC198498
0.7487	Intermediate Similarity	NPC276890
0.7487	Intermediate Similarity	NPC311781
0.7487	Intermediate Similarity	NPC227060
0.7487	Intermediate Similarity	NPC63646
0.7487	Intermediate Similarity	NPC76682
0.7487	Intermediate Similarity	NPC275132
0.7487	Intermediate Similarity	NPC317439

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC63152 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	206
0.1-0.2	692
0.2-0.3	971
0.3-0.4	2252
0.4-0.5	2766
0.5-0.6	1700
0.6-0.7	477
0.7-0.8	94
0.8-0.85	3
0.85-0.9	0
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.8466	Intermediate Similarity	NPD5006	Approved
0.8466	Intermediate Similarity	NPD5005	Approved
0.8254	Intermediate Similarity	NPD4420	Approved
0.7919	Intermediate Similarity	NPD3640	Phase 3
0.7919	Intermediate Similarity	NPD3639	Approved
0.7919	Intermediate Similarity	NPD3641	Approved
0.7736	Intermediate Similarity	NPD6625	Approved
0.7619	Intermediate Similarity	NPD7280	Phase 3
0.7619	Intermediate Similarity	NPD2968	Approved
0.7619	Intermediate Similarity	NPD7281	Phase 3
0.7619	Intermediate Similarity	NPD2971	Approved
0.7614	Intermediate Similarity	NPD4107	Approved
0.7514	Intermediate Similarity	NPD5977	Approved
0.7514	Intermediate Similarity	NPD5978	Approved
0.75	Intermediate Similarity	NPD4584	Approved
0.7487	Intermediate Similarity	NPD8252	Approved
0.7487	Intermediate Similarity	NPD8251	Approved
0.7487	Intermediate Similarity	NPD4482	Phase 3
0.7487	Intermediate Similarity	NPD8099	Discontinued
0.7473	Intermediate Similarity	NPD2898	Approved
0.7462	Intermediate Similarity	NPD2974	Approved
0.7462	Intermediate Similarity	NPD2973	Approved
0.7462	Intermediate Similarity	NPD2975	Approved
0.7457	Intermediate Similarity	NPD4664	Clinical (unspecified phase)
0.7447	Intermediate Similarity	NPD5312	Approved
0.7447	Intermediate Similarity	NPD8156	Discontinued
0.7447	Intermediate Similarity	NPD5313	Approved
0.7435	Intermediate Similarity	NPD3534	Clinical (unspecified phase)
0.7419	Intermediate Similarity	NPD5242	Approved
0.7396	Intermediate Similarity	NPD7090	Clinical (unspecified phase)
0.738	Intermediate Similarity	NPD4481	Phase 3
0.7377	Intermediate Similarity	NPD6788	Approved
0.7363	Intermediate Similarity	NPD3057	Approved
0.735	Intermediate Similarity	NPD4580	Approved
0.733	Intermediate Similarity	NPD5084	Clinical (unspecified phase)
0.7323	Intermediate Similarity	NPD7667	Clinical (unspecified phase)
0.7314	Intermediate Similarity	NPD2654	Approved
0.7313	Intermediate Similarity	NPD2494	Approved
0.7313	Intermediate Similarity	NPD2493	Approved
0.7313	Intermediate Similarity	NPD3452	Approved
0.7313	Intermediate Similarity	NPD3450	Approved
0.7296	Intermediate Similarity	NPD2488	Approved
0.7296	Intermediate Similarity	NPD2490	Approved
0.7277	Intermediate Similarity	NPD2972	Approved
0.7277	Intermediate Similarity	NPD3533	Approved
0.7273	Intermediate Similarity	NPD6071	Discontinued
0.7273	Intermediate Similarity	NPD4166	Phase 2
0.7268	Intermediate Similarity	NPD4585	Approved
0.7259	Intermediate Similarity	NPD7296	Approved
0.7255	Intermediate Similarity	NPD7607	Clinical (unspecified phase)
0.7228	Intermediate Similarity	NPD2563	Approved
0.7228	Intermediate Similarity	NPD2560	Approved
0.7227	Intermediate Similarity	NPD4846	Phase 2
0.7219	Intermediate Similarity	NPD6107	Approved
0.7216	Intermediate Similarity	NPD8053	Approved
0.7216	Intermediate Similarity	NPD8054	Approved
0.7212	Intermediate Similarity	NPD7827	Phase 1
0.7207	Intermediate Similarity	NPD1424	Approved
0.7206	Intermediate Similarity	NPD4582	Approved
0.7206	Intermediate Similarity	NPD4583	Approved
0.7196	Intermediate Similarity	NPD5619	Clinical (unspecified phase)
0.7192	Intermediate Similarity	NPD2491	Approved
0.7192	Intermediate Similarity	NPD3448	Approved
0.7184	Intermediate Similarity	NPD4859	Phase 1
0.7183	Intermediate Similarity	NPD7907	Approved
0.7158	Intermediate Similarity	NPD6385	Approved
0.7158	Intermediate Similarity	NPD6386	Approved
0.7157	Intermediate Similarity	NPD7235	Clinical (unspecified phase)
0.7157	Intermediate Similarity	NPD4004	Approved
0.7157	Intermediate Similarity	NPD4002	Approved
0.715	Intermediate Similarity	NPD6997	Phase 2
0.7135	Intermediate Similarity	NPD5353	Approved
0.7127	Intermediate Similarity	NPD6980	Clinical (unspecified phase)
0.7121	Intermediate Similarity	NPD5525	Clinical (unspecified phase)
0.7113	Intermediate Similarity	NPD4419	Clinical (unspecified phase)
0.7094	Intermediate Similarity	NPD7501	Clinical (unspecified phase)
0.7089	Intermediate Similarity	NPD4665	Approved
0.7089	Intermediate Similarity	NPD4111	Phase 1
0.7083	Intermediate Similarity	NPD3050	Clinical (unspecified phase)
0.7081	Intermediate Similarity	NPD5676	Approved
0.7075	Intermediate Similarity	NPD5980	Discovery
0.7072	Intermediate Similarity	NPD7048	Phase 3
0.7065	Intermediate Similarity	NPD7110	Phase 1
0.7065	Intermediate Similarity	NPD5090	Approved
0.7065	Intermediate Similarity	NPD5089	Approved
0.7065	Intermediate Similarity	NPD7109	Clinical (unspecified phase)
0.7053	Intermediate Similarity	NPD2970	Approved
0.7053	Intermediate Similarity	NPD2969	Approved
0.7044	Intermediate Similarity	NPD7237	Clinical (unspecified phase)
0.7039	Intermediate Similarity	NPD4040	Phase 1
0.703	Intermediate Similarity	NPD5564	Approved
0.7011	Intermediate Similarity	NPD1337	Clinical (unspecified phase)
0.701	Intermediate Similarity	NPD6297	Approved
0.701	Intermediate Similarity	NPD5457	Discontinued
0.7005	Intermediate Similarity	NPD5019	Clinical (unspecified phase)
0.7	Intermediate Similarity	NPD7124	Phase 2
0.7	Intermediate Similarity	NPD3051	Approved
0.6973	Remote Similarity	NPD4772	Phase 2
0.6973	Remote Similarity	NPD4773	Phase 2
0.6961	Remote Similarity	NPD5297	Approved
0.6957	Remote Similarity	NPD7261	Clinical (unspecified phase)
0.6957	Remote Similarity	NPD4017	Approved
0.6954	Remote Similarity	NPD6618	Phase 2
0.695	Remote Similarity	NPD3808	Clinical (unspecified phase)
0.6944	Remote Similarity	NPD5307	Clinical (unspecified phase)
0.694	Remote Similarity	NPD6662	Clinical (unspecified phase)
0.6935	Remote Similarity	NPD7298	Approved
0.693	Remote Similarity	NPD2899	Discontinued
0.6927	Remote Similarity	NPD2489	Approved
0.6927	Remote Similarity	NPD27	Approved
0.6919	Remote Similarity	NPD6876	Approved
0.6919	Remote Similarity	NPD6875	Approved
0.6908	Remote Similarity	NPD7497	Discontinued
0.6895	Remote Similarity	NPD5677	Discontinued
0.6879	Remote Similarity	NPD2669	Clinical (unspecified phase)
0.6878	Remote Similarity	NPD4055	Discovery
0.6875	Remote Similarity	NPD2492	Phase 1
0.6869	Remote Similarity	NPD6851	Approved
0.6869	Remote Similarity	NPD6853	Approved
0.686	Remote Similarity	NPD956	Clinical (unspecified phase)
0.6859	Remote Similarity	NPD7199	Phase 2
0.685	Remote Similarity	NPD7291	Discontinued
0.685	Remote Similarity	NPD6842	Approved
0.685	Remote Similarity	NPD6841	Approved
0.685	Remote Similarity	NPD6843	Phase 3
0.685	Remote Similarity	NPD7906	Approved
0.6848	Remote Similarity	NPD1670	Discontinued
0.6836	Remote Similarity	NPD6111	Discontinued
0.6825	Remote Similarity	NPD4966	Approved
0.6825	Remote Similarity	NPD4965	Approved
0.6825	Remote Similarity	NPD4967	Phase 2
0.6818	Remote Similarity	NPD7312	Approved
0.6818	Remote Similarity	NPD7311	Approved
0.6818	Remote Similarity	NPD7313	Approved
0.6818	Remote Similarity	NPD7310	Approved
0.6813	Remote Similarity	NPD6783	Clinical (unspecified phase)
0.6809	Remote Similarity	NPD6668	Clinical (unspecified phase)
0.6796	Remote Similarity	NPD8095	Phase 1
0.6791	Remote Similarity	NPD6873	Phase 2
0.6791	Remote Similarity	NPD7047	Phase 3
0.6788	Remote Similarity	NPD7184	Clinical (unspecified phase)
0.6786	Remote Similarity	NPD6723	Discontinued
0.6784	Remote Similarity	NPD7309	Approved
0.6776	Remote Similarity	NPD7837	Clinical (unspecified phase)
0.6776	Remote Similarity	NPD6143	Clinical (unspecified phase)
0.6774	Remote Similarity	NPD824	Approved
0.6767	Remote Similarity	NPD8153	Approved
0.6767	Remote Similarity	NPD8152	Approved
0.6757	Remote Similarity	NPD6031	Approved
0.6757	Remote Similarity	NPD6030	Approved
0.6755	Remote Similarity	NPD37	Approved
0.6755	Remote Similarity	NPD7248	Discontinued
0.6754	Remote Similarity	NPD6234	Discontinued
0.6742	Remote Similarity	NPD7224	Discontinued
0.6742	Remote Similarity	NPD7223	Discontinued
0.6736	Remote Similarity	NPD5710	Approved
0.6736	Remote Similarity	NPD5711	Approved
0.6735	Remote Similarity	NPD6020	Phase 2
0.6734	Remote Similarity	NPD4577	Approved
0.6734	Remote Similarity	NPD4578	Approved
0.6732	Remote Similarity	NPD5582	Discontinued
0.6732	Remote Similarity	NPD4361	Phase 2
0.6732	Remote Similarity	NPD4362	Clinical (unspecified phase)
0.6727	Remote Similarity	NPD7278	Phase 2
0.6727	Remote Similarity	NPD7279	Phase 2
0.672	Remote Similarity	NPD4210	Discontinued
0.6716	Remote Similarity	NPD4663	Approved
0.6705	Remote Similarity	NPD554	Clinical (unspecified phase)
0.6684	Remote Similarity	NPD4005	Discontinued
0.6683	Remote Similarity	NPD3473	Clinical (unspecified phase)
0.6683	Remote Similarity	NPD6040	Clinical (unspecified phase)
0.6683	Remote Similarity	NPD7549	Discontinued
0.6667	Remote Similarity	NPD3384	Approved
0.6667	Remote Similarity	NPD3382	Approved
0.6667	Remote Similarity	NPD3383	Approved
0.6651	Remote Similarity	NPD7584	Approved
0.6649	Remote Similarity	NPD4010	Discontinued
0.6648	Remote Similarity	NPD743	Approved
0.6633	Remote Similarity	NPD3446	Phase 1
0.6632	Remote Similarity	NPD5494	Approved
0.6632	Remote Similarity	NPD6818	Clinical (unspecified phase)
0.6632	Remote Similarity	NPD7201	Clinical (unspecified phase)
0.662	Remote Similarity	NPD7701	Phase 2
0.6618	Remote Similarity	NPD6621	Clinical (unspecified phase)
0.6615	Remote Similarity	NPD8051	Clinical (unspecified phase)
0.6613	Remote Similarity	NPD3647	Clinical (unspecified phase)
0.6611	Remote Similarity	NPD6028	Clinical (unspecified phase)
0.6611	Remote Similarity	NPD6029	Clinical (unspecified phase)
0.6599	Remote Similarity	NPD7228	Approved
0.6599	Remote Similarity	NPD3818	Discontinued
0.6597	Remote Similarity	NPD5616	Clinical (unspecified phase)
0.6573	Remote Similarity	NPD3140	Approved
0.6573	Remote Similarity	NPD3142	Approved
0.6564	Remote Similarity	NPD7942	Clinical (unspecified phase)
0.6564	Remote Similarity	NPD7315	Approved
0.6561	Remote Similarity	NPD8155	Clinical (unspecified phase)
0.6561	Remote Similarity	NPD7028	Phase 2
0.6557	Remote Similarity	NPD4236	Phase 3
0.6557	Remote Similarity	NPD4237	Approved
0.6556	Remote Similarity	NPD6895	Approved

Structure

NPC63152 OpenBabel07101718242D 24 28 0 0 1 0 0 0 0 0999 V2000 5.1337 -3.8163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3933 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7924 -0.6472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1992 0.2664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2676 -1.3163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4016 -2.8163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3469 -1.2629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4872 0.3010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4056 -0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2676 -2.3163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9379 -0.1646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9594 -0.8844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7127 -0.9217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4016 -0.8163 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5356 -2.3163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3038 0.1766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6912 -0.2019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5356 -1.3163 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1937 0.1618 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.6696 -2.8163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1337 -2.8163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2739 1.1762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0349 -1.1646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 2 22 1 0 0 0 0 3 4 1 0 0 0 0 4 19 1 0 0 0 0 5 10 1 0 0 0 0 5 14 1 0 0 0 0 6 10 2 0 0 0 0 6 15 1 0 0 0 0 7 12 2 0 0 0 0 7 13 1 0 0 0 0 8 11 1 0 0 0 0 8 19 1 0 0 0 0 9 23 1 0 0 0 0 9 24 1 0 0 0 0 10 21 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 18 1 0 0 0 0 13 17 2 0 0 0 0 13 23 1 0 0 0 0 14 18 1 6 0 0 0 14 19 1 0 0 0 0 15 18 1 0 0 0 0 15 20 2 0 0 0 0 16 17 1 0 0 0 0 16 22 1 0 0 0 0 17 24 1 0 0 0 0 18 3 1 6 0 0 0 M END $$$$

External Identifiers

PubChem CID	71461758
ChEMBL	CHEMBL2146602
ZINC

Physicochemical Properties

Molecular Weight:	329.13
ALogP:	-0.6284
MLogP:	2.78
XLogP:	0.179
# Rotatable Bonds:	4
Polar Surface Area:	57.23
# H-Bond Aceptor:	3
# H-Bond Donor:	0
# Rings:	5
# Heavy Atoms:	24

Download Data

Data Type	Select
General Info & Identifiers & Properties
Structure MOL file
Source Organisms
Biological Activities
Similar NPs/Drugs