NPASS Natural Product

Natural Product: NPC472153

Natural Product ID:	NPC472153
Common Name:	n.a.
IUPAC Name:
Synonyms:
Molecular Formula:	C20H18O8
Standard InCHIKey:	LEEKHHGNSCDKGR-LLZAJZRGSA-N
Standard InCHI:	InChI=1S/C20H18O8/c21-12-7-8-13(22)19-18(12,28-19)16(24)15(23)17(25)20(19)26-10-5-1-3-9-4-2-6-11(27-20)14(9)10/h1-6,12,15-17,21,23-25H,7-8H2/t12-,15+,16+,17-,18+,19+/m1/s1
Canonical SMILES:	O[C@@H]1[C@@H](O)C2(Oc3cccc4c3c(O2)ccc4)[C@]23[C@]([C@H]1O)(O2)[C@H](O)CCC3=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
NPO33512	berkleasmium sp.	Species	NA	Eukaryota				PMID[25237727]

Biological Activity

Activity Type	# Activity
IC50	6
MIC	6

Activity Type	# Activity
Cell Line	2
Organism	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	>	10000	nM	20189399
NPT2	Others	Unspecified		IC50	>	10000	nM	19674905
NPT331	Organism	Ralstonia solanacearum	Ralstonia solanacearum	MIC	>	250	ug/ml	26218649
NPT141	Organism	Agrobacterium tumefaciens	Agrobacterium tumefaciens	MIC	>	250	ug/ml	15568791
NPT4150	Organism	Xanthomonas vesicatoria	Xanthomonas vesicatoria	MIC	>	250	ug/ml	24707938
NPT179	Cell Line	A2780	Homo sapiens	IC50	>	10000	nM	18183025
NPT826	Organism	Magnaporthe oryzae	Magnaporthe oryzae	IC50	>	200	ug/ml	PubChem BioAssay data set
NPT2921	Organism	Pseudomonas	Pseudomonas	MIC	>	250	ug/ml	19514743
NPT1477	Organism	Staphylococcus haemolyticus	Staphylococcus haemolyticus	MIC	>	250	ug/ml	21893415
NPT2	Others	Unspecified		IC50	>	10000	nM	23675610
NPT2	Others	Unspecified		IC50	>	10000	nM	PubChem BioAssay data set
NPT79	Organism	Bacillus subtilis	Bacillus subtilis	MIC	>	250	ug/ml	22925447

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 NPC472153 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	331
0.1-0.2	1207
0.2-0.3	2472
0.3-0.4	5621
0.4-0.5	6627
0.5-0.6	4134
0.6-0.7	4576
0.7-0.8	5302
0.8-0.85	596
0.85-0.9	15
0.9-0.95	3
0.95-1	5

Similarity Score	Similarity Level	Natural Product ID
0.987	High Similarity	NPC74371
0.987	High Similarity	NPC120677
0.9806	High Similarity	NPC75944
0.9618	High Similarity	NPC472150
0.961	High Similarity	NPC472156
0.9371	High Similarity	NPC175082
0.9136	High Similarity	NPC137460
0.9018	High Similarity	NPC472152
0.8957	High Similarity	NPC103633
0.8951	High Similarity	NPC297404
0.8951	High Similarity	NPC11608
0.8947	High Similarity	NPC472155
0.8766	High Similarity	NPC472154
0.8766	High Similarity	NPC173630
0.8765	High Similarity	NPC73148
0.8642	High Similarity	NPC183402
0.859	High Similarity	NPC288531
0.8581	High Similarity	NPC151704
0.8529	High Similarity	NPC272656
0.8528	High Similarity	NPC193749
0.8526	High Similarity	NPC23807
0.8526	High Similarity	NPC271076
0.8516	High Similarity	NPC197461
0.8471	Intermediate Similarity	NPC97662
0.8452	Intermediate Similarity	NPC67424
0.8424	Intermediate Similarity	NPC316457
0.8412	Intermediate Similarity	NPC470438
0.8402	Intermediate Similarity	NPC265214
0.8363	Intermediate Similarity	NPC470667
0.8363	Intermediate Similarity	NPC186800
0.8343	Intermediate Similarity	NPC222455
0.8343	Intermediate Similarity	NPC217378
0.8333	Intermediate Similarity	NPC145038
0.8333	Intermediate Similarity	NPC179950
0.8333	Intermediate Similarity	NPC253662
0.8333	Intermediate Similarity	NPC308404
0.8333	Intermediate Similarity	NPC56077
0.8333	Intermediate Similarity	NPC118284
0.8333	Intermediate Similarity	NPC274618
0.8333	Intermediate Similarity	NPC276222
0.8333	Intermediate Similarity	NPC281131
0.8333	Intermediate Similarity	NPC88789
0.8324	Intermediate Similarity	NPC153578
0.8324	Intermediate Similarity	NPC114257
0.8324	Intermediate Similarity	NPC299149
0.8324	Intermediate Similarity	NPC277710
0.8323	Intermediate Similarity	NPC193920
0.8314	Intermediate Similarity	NPC65563
0.8314	Intermediate Similarity	NPC470949
0.8314	Intermediate Similarity	NPC8573
0.8314	Intermediate Similarity	NPC144097
0.8314	Intermediate Similarity	NPC61904
0.8313	Intermediate Similarity	NPC470125
0.8305	Intermediate Similarity	NPC314672
0.8304	Intermediate Similarity	NPC470336
0.8304	Intermediate Similarity	NPC85368
0.8304	Intermediate Similarity	NPC169977
0.8304	Intermediate Similarity	NPC101026
0.8304	Intermediate Similarity	NPC470335
0.8304	Intermediate Similarity	NPC21666
0.8304	Intermediate Similarity	NPC42773
0.8304	Intermediate Similarity	NPC24043
0.8304	Intermediate Similarity	NPC45522
0.8294	Intermediate Similarity	NPC8704
0.8294	Intermediate Similarity	NPC287884
0.8294	Intermediate Similarity	NPC136042
0.8294	Intermediate Similarity	NPC156869
0.8294	Intermediate Similarity	NPC282987
0.8294	Intermediate Similarity	NPC155763
0.8294	Intermediate Similarity	NPC235260
0.8294	Intermediate Similarity	NPC255157
0.8294	Intermediate Similarity	NPC29958
0.8294	Intermediate Similarity	NPC95866
0.8294	Intermediate Similarity	NPC67326
0.8294	Intermediate Similarity	NPC84265
0.8294	Intermediate Similarity	NPC254855
0.8294	Intermediate Similarity	NPC259896
0.8294	Intermediate Similarity	NPC20505
0.8294	Intermediate Similarity	NPC245014
0.8286	Intermediate Similarity	NPC231254
0.8284	Intermediate Similarity	NPC84362
0.8284	Intermediate Similarity	NPC173637
0.8284	Intermediate Similarity	NPC223424
0.8284	Intermediate Similarity	NPC127546
0.8284	Intermediate Similarity	NPC92565
0.8284	Intermediate Similarity	NPC52550
0.8284	Intermediate Similarity	NPC160156
0.8284	Intermediate Similarity	NPC317489
0.8276	Intermediate Similarity	NPC208069
0.8276	Intermediate Similarity	NPC315221
0.8274	Intermediate Similarity	NPC472049
0.8274	Intermediate Similarity	NPC240431
0.8274	Intermediate Similarity	NPC19388
0.8274	Intermediate Similarity	NPC55786
0.8274	Intermediate Similarity	NPC277205
0.8266	Intermediate Similarity	NPC470334
0.8266	Intermediate Similarity	NPC37668
0.8266	Intermediate Similarity	NPC113836
0.8266	Intermediate Similarity	NPC35167
0.8266	Intermediate Similarity	NPC253521
0.8263	Intermediate Similarity	NPC326278
0.8263	Intermediate Similarity	NPC478229
0.8256	Intermediate Similarity	NPC49344
0.8256	Intermediate Similarity	NPC34267
0.8256	Intermediate Similarity	NPC264735
0.8256	Intermediate Similarity	NPC237435
0.8256	Intermediate Similarity	NPC223426
0.8256	Intermediate Similarity	NPC3718
0.8256	Intermediate Similarity	NPC115760
0.8256	Intermediate Similarity	NPC253685
0.8256	Intermediate Similarity	NPC135277
0.8256	Intermediate Similarity	NPC214621
0.8256	Intermediate Similarity	NPC210094
0.8256	Intermediate Similarity	NPC101191
0.8256	Intermediate Similarity	NPC81042
0.8256	Intermediate Similarity	NPC43211
0.8253	Intermediate Similarity	NPC471079
0.8253	Intermediate Similarity	NPC470405
0.8253	Intermediate Similarity	NPC304741
0.8246	Intermediate Similarity	NPC155877
0.8246	Intermediate Similarity	NPC203259
0.8246	Intermediate Similarity	NPC134532
0.8246	Intermediate Similarity	NPC471725
0.8246	Intermediate Similarity	NPC471748
0.8246	Intermediate Similarity	NPC26230
0.8246	Intermediate Similarity	NPC175107
0.8246	Intermediate Similarity	NPC245452
0.8246	Intermediate Similarity	NPC190003
0.8246	Intermediate Similarity	NPC117260
0.8246	Intermediate Similarity	NPC476405
0.8246	Intermediate Similarity	NPC60735
0.8246	Intermediate Similarity	NPC33054
0.8246	Intermediate Similarity	NPC176740
0.8242	Intermediate Similarity	NPC135391
0.8242	Intermediate Similarity	NPC197304
0.8242	Intermediate Similarity	NPC133671
0.8242	Intermediate Similarity	NPC78263
0.8242	Intermediate Similarity	NPC77672
0.8242	Intermediate Similarity	NPC54802
0.8242	Intermediate Similarity	NPC477833
0.8235	Intermediate Similarity	NPC223747
0.8235	Intermediate Similarity	NPC219904
0.8235	Intermediate Similarity	NPC120099
0.8235	Intermediate Similarity	NPC203050
0.8235	Intermediate Similarity	NPC52382
0.8235	Intermediate Similarity	NPC138927
0.8235	Intermediate Similarity	NPC225434
0.8235	Intermediate Similarity	NPC270578
0.8229	Intermediate Similarity	NPC297503
0.8229	Intermediate Similarity	NPC36138
0.8229	Intermediate Similarity	NPC97119
0.8229	Intermediate Similarity	NPC135831
0.8229	Intermediate Similarity	NPC313452
0.8225	Intermediate Similarity	NPC135599
0.8225	Intermediate Similarity	NPC113968
0.8225	Intermediate Similarity	NPC277174
0.8225	Intermediate Similarity	NPC328940
0.8225	Intermediate Similarity	NPC73855
0.8225	Intermediate Similarity	NPC113093
0.8225	Intermediate Similarity	NPC197285
0.8225	Intermediate Similarity	NPC21100
0.8218	Intermediate Similarity	NPC110941
0.8218	Intermediate Similarity	NPC241423
0.8218	Intermediate Similarity	NPC473682
0.8218	Intermediate Similarity	NPC473571
0.8218	Intermediate Similarity	NPC470444
0.8218	Intermediate Similarity	NPC244903
0.8218	Intermediate Similarity	NPC470443
0.8218	Intermediate Similarity	NPC126784
0.8208	Intermediate Similarity	NPC472382
0.8208	Intermediate Similarity	NPC475246
0.8208	Intermediate Similarity	NPC268533
0.8208	Intermediate Similarity	NPC472384
0.8208	Intermediate Similarity	NPC169733
0.8208	Intermediate Similarity	NPC472385
0.8208	Intermediate Similarity	NPC198324
0.8208	Intermediate Similarity	NPC472380
0.8204	Intermediate Similarity	NPC135846
0.8204	Intermediate Similarity	NPC163242
0.8204	Intermediate Similarity	NPC215710
0.8204	Intermediate Similarity	NPC173582
0.8204	Intermediate Similarity	NPC170052
0.8204	Intermediate Similarity	NPC64305
0.8204	Intermediate Similarity	NPC297987
0.8204	Intermediate Similarity	NPC476215
0.8204	Intermediate Similarity	NPC249281
0.8204	Intermediate Similarity	NPC116458
0.8204	Intermediate Similarity	NPC246943
0.8204	Intermediate Similarity	NPC253788
0.8204	Intermediate Similarity	NPC276377
0.8204	Intermediate Similarity	NPC181465
0.8204	Intermediate Similarity	NPC139320
0.8204	Intermediate Similarity	NPC473438
0.8204	Intermediate Similarity	NPC265885
0.8204	Intermediate Similarity	NPC282169
0.8204	Intermediate Similarity	NPC182045
0.8202	Intermediate Similarity	NPC201814
0.8198	Intermediate Similarity	NPC4390
0.8193	Intermediate Similarity	NPC472459
0.8193	Intermediate Similarity	NPC320283

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC472153 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	322
0.1-0.2	878
0.2-0.3	1721
0.3-0.4	2718
0.4-0.5	1913
0.5-0.6	1032
0.6-0.7	440
0.7-0.8	122
0.8-0.85	13
0.85-0.9	0
0.9-0.95	1
0.95-1	1

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.9805	High Similarity	NPD3787	Discontinued
0.9313	High Similarity	NPD3751	Discontinued
0.8256	Intermediate Similarity	NPD4338	Clinical (unspecified phase)
0.8246	Intermediate Similarity	NPD6797	Phase 2
0.8198	Intermediate Similarity	NPD7251	Discontinued
0.8192	Intermediate Similarity	NPD7879	Clinical (unspecified phase)
0.815	Intermediate Similarity	NPD7808	Phase 3
0.8059	Intermediate Similarity	NPD6166	Phase 2
0.8059	Intermediate Similarity	NPD6167	Clinical (unspecified phase)
0.8059	Intermediate Similarity	NPD6168	Clinical (unspecified phase)
0.8024	Intermediate Similarity	NPD4381	Clinical (unspecified phase)
0.8023	Intermediate Similarity	NPD7804	Clinical (unspecified phase)
0.8023	Intermediate Similarity	NPD7054	Approved
0.8012	Intermediate Similarity	NPD5402	Approved
0.8	Intermediate Similarity	NPD7184	Clinical (unspecified phase)
0.7977	Intermediate Similarity	NPD7472	Approved
0.7977	Intermediate Similarity	NPD7074	Phase 3
0.7904	Intermediate Similarity	NPD3817	Phase 2
0.7882	Intermediate Similarity	NPD7199	Phase 2
0.7861	Intermediate Similarity	NPD3818	Discontinued
0.7844	Intermediate Similarity	NPD8455	Phase 2
0.7829	Intermediate Similarity	NPD7993	Clinical (unspecified phase)
0.7784	Intermediate Similarity	NPD6777	Approved
0.7784	Intermediate Similarity	NPD6776	Approved
0.7784	Intermediate Similarity	NPD6780	Approved
0.7784	Intermediate Similarity	NPD6782	Approved
0.7784	Intermediate Similarity	NPD6781	Approved
0.7784	Intermediate Similarity	NPD6779	Approved
0.7784	Intermediate Similarity	NPD6778	Approved
0.7778	Intermediate Similarity	NPD6959	Discontinued
0.7754	Intermediate Similarity	NPD7435	Discontinued
0.7751	Intermediate Similarity	NPD4868	Clinical (unspecified phase)
0.7738	Intermediate Similarity	NPD7096	Clinical (unspecified phase)
0.7714	Intermediate Similarity	NPD5844	Phase 1
0.7706	Intermediate Similarity	NPD7075	Discontinued
0.7697	Intermediate Similarity	NPD8312	Approved
0.7697	Intermediate Similarity	NPD8313	Approved
0.7697	Intermediate Similarity	NPD5403	Approved
0.7683	Intermediate Similarity	NPD5401	Approved
0.7679	Intermediate Similarity	NPD1934	Approved
0.7679	Intermediate Similarity	NPD37	Approved
0.7665	Intermediate Similarity	NPD4380	Phase 2
0.7657	Intermediate Similarity	NPD7228	Approved
0.7647	Intermediate Similarity	NPD4966	Approved
0.7647	Intermediate Similarity	NPD4965	Approved
0.7647	Intermediate Similarity	NPD3882	Suspended
0.7647	Intermediate Similarity	NPD4967	Phase 2
0.7633	Intermediate Similarity	NPD7819	Suspended
0.7633	Intermediate Similarity	NPD2801	Approved
0.7633	Intermediate Similarity	NPD2393	Clinical (unspecified phase)
0.7622	Intermediate Similarity	NPD6799	Approved
0.7611	Intermediate Similarity	NPD8055	Clinical (unspecified phase)
0.7607	Intermediate Similarity	NPD6190	Approved
0.7576	Intermediate Similarity	NPD7004	Clinical (unspecified phase)
0.7574	Intermediate Similarity	NPD6801	Discontinued
0.7566	Intermediate Similarity	NPD7698	Approved
0.7566	Intermediate Similarity	NPD7696	Phase 3
0.7566	Intermediate Similarity	NPD7697	Approved
0.7558	Intermediate Similarity	NPD6234	Discontinued
0.753	Intermediate Similarity	NPD1512	Approved
0.7526	Intermediate Similarity	NPD7871	Phase 2
0.7526	Intermediate Similarity	NPD7870	Phase 2
0.7514	Intermediate Similarity	NPD5494	Approved
0.7514	Intermediate Similarity	NPD6535	Approved
0.7514	Intermediate Similarity	NPD6534	Approved
0.7513	Intermediate Similarity	NPD7874	Approved
0.7513	Intermediate Similarity	NPD7875	Clinical (unspecified phase)
0.75	Intermediate Similarity	NPD7701	Phase 2
0.7486	Intermediate Similarity	NPD7240	Approved
0.7486	Intermediate Similarity	NPD8397	Clinical (unspecified phase)
0.7486	Intermediate Similarity	NPD6559	Discontinued
0.7468	Intermediate Similarity	NPD6233	Phase 2
0.7456	Intermediate Similarity	NPD6599	Discontinued
0.7429	Intermediate Similarity	NPD6232	Discontinued
0.7427	Intermediate Similarity	NPD1465	Phase 2
0.741	Intermediate Similarity	NPD1511	Approved
0.7405	Intermediate Similarity	NPD6859	Clinical (unspecified phase)
0.7405	Intermediate Similarity	NPD6798	Discontinued
0.7401	Intermediate Similarity	NPD7473	Discontinued
0.7399	Intermediate Similarity	NPD3749	Approved
0.7394	Intermediate Similarity	NPD7700	Phase 2
0.7394	Intermediate Similarity	NPD7699	Phase 2
0.7385	Intermediate Similarity	NPD7801	Approved
0.7384	Intermediate Similarity	NPD8443	Clinical (unspecified phase)
0.7377	Intermediate Similarity	NPD8150	Discontinued
0.7365	Intermediate Similarity	NPD4378	Clinical (unspecified phase)
0.7362	Intermediate Similarity	NPD1552	Clinical (unspecified phase)
0.7362	Intermediate Similarity	NPD1550	Clinical (unspecified phase)
0.7345	Intermediate Similarity	NPD7852	Clinical (unspecified phase)
0.733	Intermediate Similarity	NPD6823	Phase 2
0.7317	Intermediate Similarity	NPD1549	Phase 2
0.7312	Intermediate Similarity	NPD1613	Approved
0.7312	Intermediate Similarity	NPD1612	Clinical (unspecified phase)
0.731	Intermediate Similarity	NPD7411	Suspended
0.7301	Intermediate Similarity	NPD6100	Approved
0.7301	Intermediate Similarity	NPD6099	Approved
0.7296	Intermediate Similarity	NPD7783	Phase 2
0.7296	Intermediate Similarity	NPD7782	Clinical (unspecified phase)
0.7284	Intermediate Similarity	NPD7097	Phase 1
0.7283	Intermediate Similarity	NPD8434	Phase 2
0.7282	Intermediate Similarity	NPD8151	Discontinued
0.7267	Intermediate Similarity	NPD6355	Discontinued
0.7254	Intermediate Similarity	NPD8320	Phase 1
0.7254	Intermediate Similarity	NPD8319	Approved
0.7239	Intermediate Similarity	NPD7033	Discontinued
0.7235	Intermediate Similarity	NPD1653	Approved
0.7232	Intermediate Similarity	NPD7229	Phase 3
0.7198	Intermediate Similarity	NPD7685	Pre-registration
0.7195	Intermediate Similarity	NPD2796	Approved
0.7169	Intermediate Similarity	NPD6674	Discontinued
0.7161	Intermediate Similarity	NPD1091	Approved
0.716	Intermediate Similarity	NPD7410	Clinical (unspecified phase)
0.7143	Intermediate Similarity	NPD8155	Clinical (unspecified phase)
0.7128	Intermediate Similarity	NPD7211	Clinical (unspecified phase)
0.7126	Intermediate Similarity	NPD3750	Approved
0.7125	Intermediate Similarity	NPD7095	Approved
0.7099	Intermediate Similarity	NPD4060	Phase 1
0.7095	Intermediate Similarity	NPD3926	Phase 2
0.7093	Intermediate Similarity	NPD5808	Clinical (unspecified phase)
0.7093	Intermediate Similarity	NPD3226	Approved
0.7079	Intermediate Similarity	NPD1247	Approved
0.7076	Intermediate Similarity	NPD6980	Clinical (unspecified phase)
0.7063	Intermediate Similarity	NPD4908	Phase 1
0.7063	Intermediate Similarity	NPD1529	Clinical (unspecified phase)
0.7048	Intermediate Similarity	NPD5762	Approved
0.7048	Intermediate Similarity	NPD5763	Approved
0.7045	Intermediate Similarity	NPD7768	Phase 2
0.703	Intermediate Similarity	NPD1510	Phase 2
0.703	Intermediate Similarity	NPD3748	Approved
0.7024	Intermediate Similarity	NPD4628	Phase 3
0.7019	Intermediate Similarity	NPD4625	Phase 3
0.7006	Intermediate Similarity	NPD970	Clinical (unspecified phase)
0.7	Intermediate Similarity	NPD6143	Clinical (unspecified phase)
0.7	Intermediate Similarity	NPD6213	Phase 3
0.7	Intermediate Similarity	NPD6214	Clinical (unspecified phase)
0.7	Intermediate Similarity	NPD1530	Clinical (unspecified phase)
0.7	Intermediate Similarity	NPD6212	Phase 3
0.6979	Remote Similarity	NPD2974	Approved
0.6979	Remote Similarity	NPD2975	Approved
0.6979	Remote Similarity	NPD2973	Approved
0.6975	Remote Similarity	NPD4907	Clinical (unspecified phase)
0.6966	Remote Similarity	NPD919	Approved
0.6964	Remote Similarity	NPD5698	Clinical (unspecified phase)
0.6959	Remote Similarity	NPD4580	Approved
0.6946	Remote Similarity	NPD2346	Discontinued
0.6939	Remote Similarity	NPD4002	Approved
0.6939	Remote Similarity	NPD4004	Approved
0.6933	Remote Similarity	NPD4062	Phase 3
0.6923	Remote Similarity	NPD1878	Clinical (unspecified phase)
0.6923	Remote Similarity	NPD2494	Approved
0.6923	Remote Similarity	NPD2493	Approved
0.6923	Remote Similarity	NPD3452	Approved
0.6923	Remote Similarity	NPD3450	Approved
0.6914	Remote Similarity	NPD3027	Phase 3
0.6914	Remote Similarity	NPD7615	Clinical (unspecified phase)
0.6907	Remote Similarity	NPD7237	Clinical (unspecified phase)
0.6905	Remote Similarity	NPD2897	Discontinued
0.6904	Remote Similarity	NPD4582	Approved
0.6904	Remote Similarity	NPD4583	Approved
0.6901	Remote Similarity	NPD7390	Discontinued
0.6899	Remote Similarity	NPD1608	Approved
0.6897	Remote Similarity	NPD7458	Discontinued
0.6894	Remote Similarity	NPD2861	Phase 2
0.6889	Remote Similarity	NPD8127	Discontinued
0.6864	Remote Similarity	NPD7421	Clinical (unspecified phase)
0.686	Remote Similarity	NPD2533	Approved
0.686	Remote Similarity	NPD2534	Approved
0.686	Remote Similarity	NPD7446	Clinical (unspecified phase)
0.686	Remote Similarity	NPD2532	Approved
0.6853	Remote Similarity	NPD7680	Approved
0.6848	Remote Similarity	NPD1933	Approved
0.6845	Remote Similarity	NPD7266	Discontinued
0.6835	Remote Similarity	NPD1610	Phase 2
0.6824	Remote Similarity	NPD6398	Clinical (unspecified phase)
0.6821	Remote Similarity	NPD8285	Discontinued
0.6805	Remote Similarity	NPD2424	Discontinued
0.6804	Remote Similarity	NPD8090	Clinical (unspecified phase)
0.6788	Remote Similarity	NPD1240	Approved
0.6786	Remote Similarity	NPD1551	Phase 2
0.678	Remote Similarity	NPD6844	Discontinued
0.6768	Remote Similarity	NPD1699	Clinical (unspecified phase)
0.6768	Remote Similarity	NPD3268	Approved
0.6765	Remote Similarity	NPD1652	Phase 2
0.675	Remote Similarity	NPD7584	Approved
0.6744	Remote Similarity	NPD5058	Phase 3
0.673	Remote Similarity	NPD8058	Clinical (unspecified phase)
0.673	Remote Similarity	NPD8059	Phase 3
0.6728	Remote Similarity	NPD5647	Approved
0.6726	Remote Similarity	NPD651	Clinical (unspecified phase)
0.6724	Remote Similarity	NPD6273	Approved
0.6709	Remote Similarity	NPD17	Approved
0.6708	Remote Similarity	NPD3225	Approved
0.6707	Remote Similarity	NPD1607	Approved
0.6706	Remote Similarity	NPD4534	Discontinued
0.6706	Remote Similarity	NPD5958	Discontinued
0.6688	Remote Similarity	NPD1548	Phase 1
0.6687	Remote Similarity	NPD7966	Clinical (unspecified phase)
0.6686	Remote Similarity	NPD2677	Approved
0.6686	Remote Similarity	NPD2438	Suspended
0.6686	Remote Similarity	NPD920	Approved

Structure

NPC472153 OpenBabel07101718202D 28 33 0 0 1 0 0 0 0 0999 V2000 3.3594 0.9698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6797 -1.5380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3594 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3532 -1.2137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5195 1.4547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0062 -1.2137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8398 2.4244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.9395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5195 -0.4849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6797 0.9698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8398 -0.4849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6797 1.9395 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0000 0.9698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6797 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8398 2.4244 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.6797 1.9395 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0000 1.9395 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.6797 0.9698 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8398 0.4849 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0000 0.9698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3594 2.9093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8398 0.4849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8398 3.3942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5195 2.4244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8398 2.4244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8398 1.4547 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 -1.6797 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 5 1 0 0 0 0 2 4 2 0 0 0 0 2 6 1 0 0 0 0 3 9 1 0 0 0 0 4 9 1 0 0 0 0 5 10 2 0 0 0 0 6 11 2 0 0 0 0 7 8 1 0 0 0 0 7 12 1 0 0 0 0 8 13 1 0 0 0 0 9 14 2 0 0 0 0 10 14 1 0 0 0 0 10 26 1 0 0 0 0 11 14 1 0 0 0 0 11 27 1 0 0 0 0 12 18 1 6 0 0 0 12 21 1 0 0 0 0 13 22 2 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 23 1 6 0 0 0 16 18 1 1 0 0 0 16 24 1 0 0 0 0 17 20 1 0 0 0 0 17 25 1 1 0 0 0 18 19 1 6 0 0 0 18 28 1 0 0 0 0 19 13 1 6 0 0 0 19 20 1 0 0 0 0 19 28 1 0 0 0 0 20 26 1 0 0 0 0 20 27 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID
ChEMBL	CHEMBL3342633
ZINC

Physicochemical Properties

Molecular Weight:	386.10
ALogP:	-3.5719
MLogP:	2.78
XLogP:	0.326
# Rotatable Bonds:	4
Polar Surface Area:	128.98
# H-Bond Aceptor:	6
# H-Bond Donor:	4
# Rings:	6
# Heavy Atoms:	28

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