NPASS Natural Product

Natural Product: NPC471936

Natural Product ID:	NPC471936
Common Name:	n.a.
IUPAC Name:
Synonyms:
Molecular Formula:	C23H26O3
Standard InCHIKey:	ZCRUGKKXGAGXFI-JYGHKZJLSA-N
Standard InCHI:	InChI=1S/C23H26O3/c24-14-6-4-13(5-7-14)2-1-3-16-20-12-19-15(10-11-21(25)26)17-8-9-18(19)23(20)22(16)17/h4-11,15-20,22-24H,1-3,12H2,(H,25,26)/b11-10+/t15-,16-,17+,18-,19+,20-,22-,23-/m0/s1
Canonical SMILES:	OC(=O)/C=C/[C@H]1[C@H]2C=C[C@H]3[C@@H]1C[C@H]1[C@@H]([C@@H]2[C@@H]31)CCCc1ccc(cc1)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
NPO33120	beilschmiedia ferruginea	Species	Lauraceae	Eukaryota				PMID[24901800]

Biological Activity

Activity Type	# Activity
Ki	1
Others	2

Activity Type	# Activity
Individual Protein	3

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT57	Individual Protein	Induced myeloid leukemia cell differentiation protein Mcl-1	Homo sapiens	Inhibition	=	0	%	20524638
NPT2796	Individual Protein	Apoptosis regulator Bcl-X	Homo sapiens	Inhibition	=	22	%	18411316
NPT2796	Individual Protein	Apoptosis regulator Bcl-X	Homo sapiens	Ki	>	100000	nM	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 NPC471936 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	184
0.1-0.2	1183
0.2-0.3	1669
0.3-0.4	5497
0.4-0.5	8353
0.5-0.6	8452
0.6-0.7	4869
0.7-0.8	658
0.8-0.85	16
0.85-0.9	5
0.9-0.95	3
0.95-1	0

Similarity Score	Similarity Level	Natural Product ID
0.9076	High Similarity	NPC471929
0.9076	High Similarity	NPC471930
0.9076	High Similarity	NPC471935
0.8947	High Similarity	NPC471928
0.8947	High Similarity	NPC471925
0.8947	High Similarity	NPC471924
0.887	High Similarity	NPC471926
0.8504	High Similarity	NPC471913
0.8304	Intermediate Similarity	NPC243677
0.8304	Intermediate Similarity	NPC303141
0.8293	Intermediate Similarity	NPC471927
0.8288	Intermediate Similarity	NPC135784
0.8288	Intermediate Similarity	NPC470202
0.8246	Intermediate Similarity	NPC470039
0.8148	Intermediate Similarity	NPC81010
0.8148	Intermediate Similarity	NPC32977
0.8145	Intermediate Similarity	NPC474532
0.811	Intermediate Similarity	NPC288290
0.8034	Intermediate Similarity	NPC322753
0.8033	Intermediate Similarity	NPC470585
0.8017	Intermediate Similarity	NPC471954
0.8017	Intermediate Similarity	NPC75272
0.8	Intermediate Similarity	NPC10154
0.8	Intermediate Similarity	NPC265413
0.797	Intermediate Similarity	NPC318575
0.7966	Intermediate Similarity	NPC287055
0.7966	Intermediate Similarity	NPC206414
0.7966	Intermediate Similarity	NPC242957
0.7966	Intermediate Similarity	NPC306977
0.7951	Intermediate Similarity	NPC42657
0.7949	Intermediate Similarity	NPC183700
0.7939	Intermediate Similarity	NPC477594
0.7939	Intermediate Similarity	NPC11266
0.7931	Intermediate Similarity	NPC11554
0.7928	Intermediate Similarity	NPC201967
0.7909	Intermediate Similarity	NPC246679
0.7891	Intermediate Similarity	NPC193203
0.7886	Intermediate Similarity	NPC318552
0.7886	Intermediate Similarity	NPC190501
0.7879	Intermediate Similarity	NPC477596
0.7863	Intermediate Similarity	NPC79543
0.7857	Intermediate Similarity	NPC130193
0.7845	Intermediate Similarity	NPC260952
0.7838	Intermediate Similarity	NPC473388
0.7838	Intermediate Similarity	NPC132271
0.7838	Intermediate Similarity	NPC216520
0.7838	Intermediate Similarity	NPC292730
0.7838	Intermediate Similarity	NPC82664
0.7829	Intermediate Similarity	NPC117899
0.7829	Intermediate Similarity	NPC30174
0.7829	Intermediate Similarity	NPC86257
0.7818	Intermediate Similarity	NPC151715
0.7815	Intermediate Similarity	NPC228988
0.7805	Intermediate Similarity	NPC31296
0.7805	Intermediate Similarity	NPC79933
0.7805	Intermediate Similarity	NPC258366
0.7805	Intermediate Similarity	NPC473974
0.7797	Intermediate Similarity	NPC296683
0.7795	Intermediate Similarity	NPC137416
0.7788	Intermediate Similarity	NPC253746
0.7778	Intermediate Similarity	NPC206341
0.7761	Intermediate Similarity	NPC477592
0.7759	Intermediate Similarity	NPC69332
0.7759	Intermediate Similarity	NPC29989
0.7759	Intermediate Similarity	NPC95178
0.7748	Intermediate Similarity	NPC26244
0.7748	Intermediate Similarity	NPC257182
0.7742	Intermediate Similarity	NPC99734
0.7739	Intermediate Similarity	NPC254965
0.7739	Intermediate Similarity	NPC327811
0.7731	Intermediate Similarity	NPC139946
0.7731	Intermediate Similarity	NPC470355
0.7727	Intermediate Similarity	NPC181709
0.7724	Intermediate Similarity	NPC164649
0.7724	Intermediate Similarity	NPC48342
0.7712	Intermediate Similarity	NPC88141
0.771	Intermediate Similarity	NPC18798
0.7705	Intermediate Similarity	NPC474358
0.7705	Intermediate Similarity	NPC257540
0.7705	Intermediate Similarity	NPC154511
0.7705	Intermediate Similarity	NPC474387
0.7705	Intermediate Similarity	NPC137496
0.7705	Intermediate Similarity	NPC247858
0.7704	Intermediate Similarity	NPC248287
0.7704	Intermediate Similarity	NPC234548
0.7704	Intermediate Similarity	NPC139243
0.7704	Intermediate Similarity	NPC477593
0.7704	Intermediate Similarity	NPC116742
0.7699	Intermediate Similarity	NPC245561
0.7698	Intermediate Similarity	NPC189054
0.7698	Intermediate Similarity	NPC478058
0.7687	Intermediate Similarity	NPC476699
0.768	Intermediate Similarity	NPC241001
0.768	Intermediate Similarity	NPC71870
0.7679	Intermediate Similarity	NPC202986
0.7667	Intermediate Similarity	NPC250323
0.7652	Intermediate Similarity	NPC304638
0.7652	Intermediate Similarity	NPC68269
0.7652	Intermediate Similarity	NPC168829
0.7647	Intermediate Similarity	NPC470617
0.7647	Intermediate Similarity	NPC470616
0.7647	Intermediate Similarity	NPC63345
0.7647	Intermediate Similarity	NPC13482
0.7647	Intermediate Similarity	NPC222905
0.7642	Intermediate Similarity	NPC278652
0.7638	Intermediate Similarity	NPC174991
0.7638	Intermediate Similarity	NPC12824
0.7636	Intermediate Similarity	NPC45040
0.7636	Intermediate Similarity	NPC304541
0.7632	Intermediate Similarity	NPC52472
0.7623	Intermediate Similarity	NPC469719
0.7623	Intermediate Similarity	NPC322197
0.7619	Intermediate Similarity	NPC154696
0.7619	Intermediate Similarity	NPC249340
0.7619	Intermediate Similarity	NPC162935
0.7615	Intermediate Similarity	NPC280347
0.7615	Intermediate Similarity	NPC258219
0.7615	Intermediate Similarity	NPC229894
0.7615	Intermediate Similarity	NPC242240
0.7615	Intermediate Similarity	NPC318325
0.7615	Intermediate Similarity	NPC123273
0.7615	Intermediate Similarity	NPC177420
0.7611	Intermediate Similarity	NPC140619
0.7611	Intermediate Similarity	NPC77492
0.7607	Intermediate Similarity	NPC21594
0.7607	Intermediate Similarity	NPC271274
0.7607	Intermediate Similarity	NPC70843
0.76	Intermediate Similarity	NPC478121
0.7594	Intermediate Similarity	NPC475627
0.7594	Intermediate Similarity	NPC475457
0.7594	Intermediate Similarity	NPC475346
0.7594	Intermediate Similarity	NPC18982
0.7591	Intermediate Similarity	NPC473612
0.7589	Intermediate Similarity	NPC286006
0.7589	Intermediate Similarity	NPC8392
0.7586	Intermediate Similarity	NPC472222
0.7586	Intermediate Similarity	NPC261573
0.7586	Intermediate Similarity	NPC8931
0.7586	Intermediate Similarity	NPC472221
0.7586	Intermediate Similarity	NPC120693
0.7586	Intermediate Similarity	NPC288411
0.7583	Intermediate Similarity	NPC95716
0.7583	Intermediate Similarity	NPC266937
0.7583	Intermediate Similarity	NPC470770
0.7581	Intermediate Similarity	NPC474890
0.7581	Intermediate Similarity	NPC273282
0.7581	Intermediate Similarity	NPC161943
0.7581	Intermediate Similarity	NPC328694
0.7578	Intermediate Similarity	NPC474766
0.7565	Intermediate Similarity	NPC472585
0.7561	Intermediate Similarity	NPC325646
0.7561	Intermediate Similarity	NPC28951
0.7559	Intermediate Similarity	NPC164947
0.7559	Intermediate Similarity	NPC121168
0.7545	Intermediate Similarity	NPC55561
0.7544	Intermediate Similarity	NPC92730
0.7544	Intermediate Similarity	NPC78119
0.7544	Intermediate Similarity	NPC51333
0.7544	Intermediate Similarity	NPC132078
0.7544	Intermediate Similarity	NPC216468
0.7542	Intermediate Similarity	NPC151477
0.7542	Intermediate Similarity	NPC228737
0.754	Intermediate Similarity	NPC259703
0.754	Intermediate Similarity	NPC32322
0.754	Intermediate Similarity	NPC328504
0.754	Intermediate Similarity	NPC164852
0.7537	Intermediate Similarity	NPC194970
0.7536	Intermediate Similarity	NPC477595
0.7536	Intermediate Similarity	NPC35212
0.7523	Intermediate Similarity	NPC25493
0.7523	Intermediate Similarity	NPC113460
0.7522	Intermediate Similarity	NPC133135
0.7522	Intermediate Similarity	NPC251579
0.7521	Intermediate Similarity	NPC127676
0.7521	Intermediate Similarity	NPC177962
0.7521	Intermediate Similarity	NPC62867
0.7521	Intermediate Similarity	NPC138942
0.7521	Intermediate Similarity	NPC199462
0.7521	Intermediate Similarity	NPC17693
0.7521	Intermediate Similarity	NPC46940
0.75	Intermediate Similarity	NPC271607
0.75	Intermediate Similarity	NPC275145
0.75	Intermediate Similarity	NPC122117
0.75	Intermediate Similarity	NPC316301
0.75	Intermediate Similarity	NPC27323
0.75	Intermediate Similarity	NPC477136
0.75	Intermediate Similarity	NPC21162
0.75	Intermediate Similarity	NPC247221
0.75	Intermediate Similarity	NPC280717
0.75	Intermediate Similarity	NPC128062
0.75	Intermediate Similarity	NPC141782
0.75	Intermediate Similarity	NPC133308
0.7482	Intermediate Similarity	NPC252133
0.7482	Intermediate Similarity	NPC310621
0.7482	Intermediate Similarity	NPC235557
0.7481	Intermediate Similarity	NPC477874
0.7481	Intermediate Similarity	NPC43353
0.7481	Intermediate Similarity	NPC173569
0.7481	Intermediate Similarity	NPC96024
0.748	Intermediate Similarity	NPC296526

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC471936 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	213
0.1-0.2	947
0.2-0.3	1040
0.3-0.4	2570
0.4-0.5	2547
0.5-0.6	1375
0.6-0.7	421
0.7-0.8	47
0.8-0.85	1
0.85-0.9	0
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.8033	Intermediate Similarity	NPD2932	Approved
0.7886	Intermediate Similarity	NPD3019	Approved
0.7857	Intermediate Similarity	NPD3020	Approved
0.7812	Intermediate Similarity	NPD5736	Approved
0.7748	Intermediate Similarity	NPD2859	Approved
0.7748	Intermediate Similarity	NPD2860	Approved
0.7742	Intermediate Similarity	NPD4059	Approved
0.7724	Intermediate Similarity	NPD3091	Approved
0.7658	Intermediate Similarity	NPD2933	Approved
0.7658	Intermediate Similarity	NPD2934	Approved
0.7576	Intermediate Similarity	NPD6663	Approved
0.75	Intermediate Similarity	NPD1432	Clinical (unspecified phase)
0.748	Intermediate Similarity	NPD3092	Approved
0.746	Intermediate Similarity	NPD4626	Approved
0.7411	Intermediate Similarity	NPD845	Approved
0.7323	Intermediate Similarity	NPD3095	Discontinued
0.7281	Intermediate Similarity	NPD1809	Phase 2
0.7273	Intermediate Similarity	NPD3021	Approved
0.7273	Intermediate Similarity	NPD3022	Approved
0.7266	Intermediate Similarity	NPD3023	Approved
0.7266	Intermediate Similarity	NPD3026	Approved
0.7259	Intermediate Similarity	NPD4140	Approved
0.7252	Intermediate Similarity	NPD3094	Phase 2
0.725	Intermediate Similarity	NPD9265	Clinical (unspecified phase)
0.7244	Intermediate Similarity	NPD3024	Approved
0.7244	Intermediate Similarity	NPD3025	Approved
0.7239	Intermediate Similarity	NPD3764	Approved
0.7217	Intermediate Similarity	NPD288	Approved
0.7167	Intermediate Similarity	NPD3134	Approved
0.7163	Intermediate Similarity	NPD8166	Discontinued
0.7156	Intermediate Similarity	NPD111	Approved
0.7131	Intermediate Similarity	NPD4750	Phase 3
0.713	Intermediate Similarity	NPD844	Approved
0.7121	Intermediate Similarity	NPD1164	Approved
0.7119	Intermediate Similarity	NPD846	Approved
0.7119	Intermediate Similarity	NPD940	Approved
0.7109	Intermediate Similarity	NPD5691	Approved
0.7107	Intermediate Similarity	NPD2342	Discontinued
0.7097	Intermediate Similarity	NPD7635	Approved
0.7068	Intermediate Similarity	NPD4624	Approved
0.7049	Intermediate Similarity	NPD6831	Clinical (unspecified phase)
0.704	Intermediate Similarity	NPD2229	Approved
0.704	Intermediate Similarity	NPD2228	Approved
0.704	Intermediate Similarity	NPD2234	Approved
0.7	Intermediate Similarity	NPD5408	Approved
0.7	Intermediate Similarity	NPD5405	Approved
0.7	Intermediate Similarity	NPD5404	Approved
0.7	Intermediate Similarity	NPD5406	Approved
0.6992	Remote Similarity	NPD2797	Approved
0.6984	Remote Similarity	NPD5951	Approved
0.6977	Remote Similarity	NPD4093	Discontinued
0.6977	Remote Similarity	NPD4196	Clinical (unspecified phase)
0.696	Remote Similarity	NPD5535	Approved
0.6949	Remote Similarity	NPD2066	Phase 3
0.6947	Remote Similarity	NPD1201	Approved
0.6934	Remote Similarity	NPD8032	Phase 2
0.6929	Remote Similarity	NPD256	Approved
0.6929	Remote Similarity	NPD255	Approved
0.6923	Remote Similarity	NPD7003	Approved
0.6923	Remote Similarity	NPD2286	Discontinued
0.6918	Remote Similarity	NPD6273	Approved
0.6917	Remote Similarity	NPD1283	Approved
0.6917	Remote Similarity	NPD1876	Approved
0.6911	Remote Similarity	NPD74	Approved
0.6911	Remote Similarity	NPD9266	Approved
0.6899	Remote Similarity	NPD9545	Approved
0.6891	Remote Similarity	NPD289	Clinical (unspecified phase)
0.6884	Remote Similarity	NPD4060	Phase 1
0.6875	Remote Similarity	NPD405	Clinical (unspecified phase)
0.6866	Remote Similarity	NPD1470	Approved
0.6855	Remote Similarity	NPD1792	Phase 2
0.6829	Remote Similarity	NPD9264	Approved
0.6829	Remote Similarity	NPD1358	Approved
0.6829	Remote Similarity	NPD9263	Approved
0.6829	Remote Similarity	NPD9267	Approved
0.6818	Remote Similarity	NPD422	Phase 1
0.681	Remote Similarity	NPD5122	Clinical (unspecified phase)
0.6809	Remote Similarity	NPD3299	Clinical (unspecified phase)
0.6794	Remote Similarity	NPD7163	Clinical (unspecified phase)
0.6794	Remote Similarity	NPD1751	Approved
0.6769	Remote Similarity	NPD5303	Approved
0.6769	Remote Similarity	NPD5304	Approved
0.6765	Remote Similarity	NPD2861	Phase 2
0.6763	Remote Similarity	NPD3620	Phase 2
0.6763	Remote Similarity	NPD3619	Clinical (unspecified phase)
0.6752	Remote Similarity	NPD1693	Approved
0.675	Remote Similarity	NPD1242	Phase 1
0.675	Remote Similarity	NPD3028	Approved
0.6748	Remote Similarity	NPD1445	Approved
0.6748	Remote Similarity	NPD1444	Approved
0.6746	Remote Similarity	NPD6124	Clinical (unspecified phase)
0.6744	Remote Similarity	NPD9568	Approved
0.6744	Remote Similarity	NPD9493	Approved
0.6742	Remote Similarity	NPD3847	Discontinued
0.6739	Remote Similarity	NPD3268	Approved
0.6733	Remote Similarity	NPD7028	Phase 2
0.6721	Remote Similarity	NPD5909	Discontinued
0.6716	Remote Similarity	NPD5327	Phase 3
0.6716	Remote Similarity	NPD3600	Clinical (unspecified phase)
0.6713	Remote Similarity	NPD5763	Approved
0.6713	Remote Similarity	NPD5762	Approved
0.6692	Remote Similarity	NPD1281	Approved
0.6691	Remote Similarity	NPD6007	Clinical (unspecified phase)
0.669	Remote Similarity	NPD7743	Approved
0.669	Remote Similarity	NPD6398	Clinical (unspecified phase)
0.669	Remote Similarity	NPD7742	Approved
0.669	Remote Similarity	NPD3750	Approved
0.669	Remote Similarity	NPD2799	Discontinued
0.6667	Remote Similarity	NPD3971	Phase 1
0.6667	Remote Similarity	NPD8438	Clinical (unspecified phase)
0.6667	Remote Similarity	NPD5238	Clinical (unspecified phase)
0.6667	Remote Similarity	NPD4579	Clinical (unspecified phase)
0.6667	Remote Similarity	NPD9697	Approved
0.6667	Remote Similarity	NPD6353	Approved
0.6644	Remote Similarity	NPD7910	Clinical (unspecified phase)
0.6643	Remote Similarity	NPD2935	Discontinued
0.6642	Remote Similarity	NPD4212	Discontinued
0.6642	Remote Similarity	NPD3636	Approved
0.6642	Remote Similarity	NPD3637	Approved
0.6642	Remote Similarity	NPD3635	Approved
0.6642	Remote Similarity	NPD4208	Discontinued
0.6641	Remote Similarity	NPD7159	Clinical (unspecified phase)
0.6639	Remote Similarity	NPD1930	Approved
0.6639	Remote Similarity	NPD6647	Phase 2
0.6639	Remote Similarity	NPD1929	Approved
0.6639	Remote Similarity	NPD5738	Clinical (unspecified phase)
0.6639	Remote Similarity	NPD1931	Clinical (unspecified phase)
0.6618	Remote Similarity	NPD4339	Clinical (unspecified phase)
0.6615	Remote Similarity	NPD7325	Clinical (unspecified phase)
0.661	Remote Similarity	NPD6048	Clinical (unspecified phase)
0.661	Remote Similarity	NPD6049	Phase 2
0.6596	Remote Similarity	NPD6355	Discontinued
0.6596	Remote Similarity	NPD5735	Approved
0.6594	Remote Similarity	NPD2605	Approved
0.6594	Remote Similarity	NPD3594	Approved
0.6594	Remote Similarity	NPD4207	Discontinued
0.6594	Remote Similarity	NPD3595	Approved
0.6594	Remote Similarity	NPD2606	Approved
0.6585	Remote Similarity	NPD9610	Approved
0.6585	Remote Similarity	NPD9608	Approved
0.6569	Remote Similarity	NPD2194	Approved
0.6569	Remote Similarity	NPD2798	Approved
0.6569	Remote Similarity	NPD2195	Approved
0.6569	Remote Similarity	NPD6917	Clinical (unspecified phase)
0.6567	Remote Similarity	NPD1535	Discovery
0.6552	Remote Similarity	NPD9256	Approved
0.6552	Remote Similarity	NPD1086	Approved
0.6552	Remote Similarity	NPD1089	Approved
0.6552	Remote Similarity	NPD1090	Approved
0.6552	Remote Similarity	NPD9258	Approved
0.6549	Remote Similarity	NPD5734	Clinical (unspecified phase)
0.6547	Remote Similarity	NPD7095	Approved
0.6547	Remote Similarity	NPD5155	Approved
0.6547	Remote Similarity	NPD5156	Approved
0.6541	Remote Similarity	NPD4589	Approved
0.6531	Remote Similarity	NPD8131	Suspended
0.6525	Remote Similarity	NPD6346	Approved
0.6519	Remote Similarity	NPD4878	Approved
0.6519	Remote Similarity	NPD3972	Approved
0.6519	Remote Similarity	NPD1481	Phase 2
0.6515	Remote Similarity	NPD7009	Phase 2
0.6515	Remote Similarity	NPD1894	Discontinued
0.6515	Remote Similarity	NPD1759	Phase 1
0.6512	Remote Similarity	NPD1241	Discontinued
0.6508	Remote Similarity	NPD2684	Approved
0.6507	Remote Similarity	NPD3638	Discontinued
0.6507	Remote Similarity	NPD7421	Clinical (unspecified phase)
0.6504	Remote Similarity	NPD9261	Approved
0.6504	Remote Similarity	NPD5700	Clinical (unspecified phase)
0.6493	Remote Similarity	NPD3496	Discontinued
0.6486	Remote Similarity	NPD3300	Phase 2
0.6483	Remote Similarity	NPD7266	Discontinued
0.6483	Remote Similarity	NPD4726	Approved
0.6483	Remote Similarity	NPD4721	Approved
0.6483	Remote Similarity	NPD4725	Approved
0.6479	Remote Similarity	NPD5124	Phase 1
0.6479	Remote Similarity	NPD5123	Clinical (unspecified phase)
0.6475	Remote Similarity	NPD2614	Approved
0.6471	Remote Similarity	NPD4749	Approved
0.6471	Remote Similarity	NPD4379	Clinical (unspecified phase)
0.6471	Remote Similarity	NPD4659	Approved
0.6466	Remote Similarity	NPD4235	Clinical (unspecified phase)
0.6466	Remote Similarity	NPD800	Approved
0.6466	Remote Similarity	NPD1651	Approved
0.6463	Remote Similarity	NPD4628	Phase 3
0.6462	Remote Similarity	NPD9281	Approved
0.6462	Remote Similarity	NPD1476	Clinical (unspecified phase)
0.6458	Remote Similarity	NPD1509	Clinical (unspecified phase)
0.6457	Remote Similarity	NPD5451	Approved
0.6457	Remote Similarity	NPD9380	Clinical (unspecified phase)
0.6456	Remote Similarity	NPD8127	Discontinued
0.6447	Remote Similarity	NPD7458	Discontinued
0.6444	Remote Similarity	NPD5351	Clinical (unspecified phase)
0.6444	Remote Similarity	NPD5350	Clinical (unspecified phase)
0.6444	Remote Similarity	NPD1610	Phase 2
0.6441	Remote Similarity	NPD1088	Approved
0.6439	Remote Similarity	NPD1758	Phase 1
0.6439	Remote Similarity	NPD7610	Discontinued
0.6434	Remote Similarity	NPD4097	Suspended
0.6434	Remote Similarity	NPD7094	Approved

Structure

NPC471936 OpenBabel07101718282D 26 30 0 0 1 0 0 0 0 0999 V2000 1.6730 -1.4483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3801 -2.1554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7071 -1.7071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6049 -0.9306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0532 -2.6037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5708 -0.6718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0191 -2.3449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1002 0.3352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8824 0.8715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3223 1.6081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2418 1.2151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3090 0.9511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3461 -1.8966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2779 -1.3789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5221 1.0083 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0000 -1.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7446 -0.1216 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.3090 0.9511 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5000 1.5388 0.0000 C 0 0 2 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 -4.0419 1.8149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0000 -1.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.0000 -0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2438 -1.1201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9226 2.8077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9615 1.4218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 13 1 0 0 0 0 4 6 1 0 0 0 0 4 13 2 0 0 0 0 5 7 2 0 0 0 0 5 13 1 0 0 0 0 6 14 2 0 0 0 0 7 14 1 0 0 0 0 8 9 2 0 0 0 0 10 11 2 0 0 0 0 11 21 1 0 0 0 0 14 24 1 0 0 0 0 15 10 1 6 0 0 0 15 17 1 0 0 0 0 15 19 1 0 0 0 0 16 3 1 6 0 0 0 16 20 1 0 0 0 0 16 22 1 0 0 0 0 17 8 1 6 0 0 0 17 22 1 0 0 0 0 18 9 1 1 0 0 0 18 19 1 0 0 0 0 18 23 1 0 0 0 0 19 12 1 1 0 0 0 20 12 1 1 0 0 0 20 23 1 0 0 0 0 21 25 2 0 0 0 0 21 26 1 0 0 0 0 22 23 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	90645499
ChEMBL	CHEMBL3299034
ZINC

Physicochemical Properties

Molecular Weight:	350.19
ALogP:	-0.8686
MLogP:	3.66
XLogP:	7.11
# Rotatable Bonds:	8
Polar Surface Area:	57.53
# H-Bond Aceptor:	2
# H-Bond Donor:	2
# Rings:	3
# Heavy Atoms:	26

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