NPASS Natural Product

Natural Product: NPC149401

Natural Product ID:	NPC149401
Common Name:	Euphorprolitherin B
IUPAC Name:
Synonyms:	Euphorprolitherin B
Molecular Formula:	C40H50O15
Standard InCHIKey:	OLFJQGDCCPBPGR-QEIRTWJOSA-N
Standard InCHI:	InChI=1S/C40H50O15/c1-11-29(46)51-32-30-33(50-22(3)42)39-20-48-38(10,31(39)27(36(7,8)53-23(4)43)17-18-28(39)49-21(2)41)35(52-34(47)26-15-13-12-14-16-26)40(30,55-25(6)45)19-37(32,9)54-24(5)44/h12-18,27-28,30-33,35H,11,19-20H2,1-10H3/t27-,28+,30+,31-,32+,33+,35+,37+,38+,39+,40+/m0/s1
Canonical SMILES:	CCC(=O)O[C@@H]1[C@@H]2[C@@H](OC(=O)C)[C@]34CO[C@@]([C@H]([C@]2(C[C@@]1(C)OC(=O)C)OC(=O)C)OC(=O)c1ccccc1)([C@@H]4[C@H](C=C[C@H]3OC(=O)C)C(OC(=O)C)(C)C)C
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
NPO12377	Euphorbia prolifera	Species	Euphorbiaceae	Eukaryota	Roots	Kunming, Yunnan Province, China	2010-JUL	PMID[21928782]
NPO3099	Euphorbia esula	Species	Euphorbiaceae	Eukaryota				TCMID*
NPO12377	Euphorbia prolifera	Species	Euphorbiaceae	Eukaryota	Root			PMID[21928782]

Biological Activity

Activity Type	# Activity
Others	3

Activity Type	# Activity
Cell Line	3

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT519	Cell Line	SH-SY5Y	Homo sapiens	Activity	=	70.3	%	21928782
NPT519	Cell Line	SH-SY5Y	Homo sapiens	Activity	=	81.7	%	21928782
NPT519	Cell Line	SH-SY5Y	Homo sapiens	Activity	=	92.2	%	21928782

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 NPC149401 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	226
0.1-0.2	898
0.2-0.3	1617
0.3-0.4	3626
0.4-0.5	7335
0.5-0.6	11646
0.6-0.7	4785
0.7-0.8	590
0.8-0.85	112
0.85-0.9	27
0.9-0.95	18
0.95-1	9

Similarity Score	Similarity Level	Natural Product ID
1.0	High Similarity	NPC279637
0.9921	High Similarity	NPC298547
0.9921	High Similarity	NPC134937
0.9921	High Similarity	NPC324898
0.9769	High Similarity	NPC121268
0.9769	High Similarity	NPC53361
0.9692	High Similarity	NPC205305
0.9692	High Similarity	NPC327511
0.9606	High Similarity	NPC475508
0.9474	High Similarity	NPC187566
0.9254	High Similarity	NPC251294
0.9242	High Similarity	NPC200154
0.9191	High Similarity	NPC191387
0.9191	High Similarity	NPC131966
0.9167	High Similarity	NPC153617
0.916	High Similarity	NPC233860
0.9098	High Similarity	NPC79699
0.9091	High Similarity	NPC472248
0.9051	High Similarity	NPC153214
0.9037	High Similarity	NPC473301
0.903	High Similarity	NPC202729
0.903	High Similarity	NPC285221
0.903	High Similarity	NPC194769
0.9023	High Similarity	NPC472250
0.9023	High Similarity	NPC311492
0.9023	High Similarity	NPC28836
0.9015	High Similarity	NPC239358
0.8971	High Similarity	NPC475660
0.8963	High Similarity	NPC27721
0.8955	High Similarity	NPC265459
0.8955	High Similarity	NPC475262
0.8955	High Similarity	NPC290833
0.8897	High Similarity	NPC325805
0.8897	High Similarity	NPC272523
0.8872	High Similarity	NPC233692
0.8824	High Similarity	NPC86772
0.8768	High Similarity	NPC242355
0.8676	High Similarity	NPC270364
0.8643	High Similarity	NPC477096
0.8643	High Similarity	NPC45307
0.8643	High Similarity	NPC477094
0.8643	High Similarity	NPC82467
0.8633	High Similarity	NPC474303
0.8633	High Similarity	NPC475413
0.8633	High Similarity	NPC473497
0.8623	High Similarity	NPC276652
0.8592	High Similarity	NPC477095
0.8592	High Similarity	NPC170668
0.8571	High Similarity	NPC475135
0.8561	High Similarity	NPC87934
0.8561	High Similarity	NPC162613
0.8531	High Similarity	NPC205389
0.85	High Similarity	NPC473654
0.85	High Similarity	NPC266374
0.8489	Intermediate Similarity	NPC9905
0.8462	Intermediate Similarity	NPC240115
0.8462	Intermediate Similarity	NPC312393
0.844	Intermediate Similarity	NPC192658
0.8414	Intermediate Similarity	NPC232583
0.8414	Intermediate Similarity	NPC25484
0.8367	Intermediate Similarity	NPC471135
0.8322	Intermediate Similarity	NPC34943
0.8309	Intermediate Similarity	NPC272946
0.8309	Intermediate Similarity	NPC42234
0.8288	Intermediate Similarity	NPC477099
0.8288	Intermediate Similarity	NPC125033
0.8288	Intermediate Similarity	NPC477097
0.8288	Intermediate Similarity	NPC477101
0.8276	Intermediate Similarity	NPC327031
0.8273	Intermediate Similarity	NPC472247
0.8273	Intermediate Similarity	NPC17877
0.8273	Intermediate Similarity	NPC66761
0.8273	Intermediate Similarity	NPC472577
0.8273	Intermediate Similarity	NPC195647
0.8273	Intermediate Similarity	NPC291638
0.8264	Intermediate Similarity	NPC125882
0.8264	Intermediate Similarity	NPC25043
0.8264	Intermediate Similarity	NPC134131
0.8255	Intermediate Similarity	NPC475638
0.8255	Intermediate Similarity	NPC290683
0.8255	Intermediate Similarity	NPC323001
0.8255	Intermediate Similarity	NPC326235
0.8255	Intermediate Similarity	NPC475548
0.8252	Intermediate Similarity	NPC95449
0.8243	Intermediate Similarity	NPC477100
0.8243	Intermediate Similarity	NPC477098
0.8231	Intermediate Similarity	NPC96308
0.8224	Intermediate Similarity	NPC55744
0.8219	Intermediate Similarity	NPC76103
0.8214	Intermediate Similarity	NPC477358
0.8207	Intermediate Similarity	NPC478263
0.8207	Intermediate Similarity	NPC209592
0.8207	Intermediate Similarity	NPC20255
0.8207	Intermediate Similarity	NPC48599
0.8201	Intermediate Similarity	NPC474608
0.82	Intermediate Similarity	NPC322048
0.82	Intermediate Similarity	NPC318447
0.8188	Intermediate Similarity	NPC477360
0.8188	Intermediate Similarity	NPC472394
0.8175	Intermediate Similarity	NPC147561
0.8169	Intermediate Similarity	NPC200592
0.8169	Intermediate Similarity	NPC473109
0.8169	Intermediate Similarity	NPC473081
0.8169	Intermediate Similarity	NPC473613
0.8169	Intermediate Similarity	NPC211137
0.8169	Intermediate Similarity	NPC184747
0.8169	Intermediate Similarity	NPC473085
0.8169	Intermediate Similarity	NPC477904
0.8169	Intermediate Similarity	NPC4341
0.8169	Intermediate Similarity	NPC476094
0.8169	Intermediate Similarity	NPC43241
0.8169	Intermediate Similarity	NPC473758
0.8169	Intermediate Similarity	NPC48017
0.8169	Intermediate Similarity	NPC473112
0.8169	Intermediate Similarity	NPC473060
0.8169	Intermediate Similarity	NPC183270
0.8169	Intermediate Similarity	NPC147880
0.8156	Intermediate Similarity	NPC475373
0.8151	Intermediate Similarity	NPC473760
0.8143	Intermediate Similarity	NPC473399
0.8143	Intermediate Similarity	NPC473216
0.8138	Intermediate Similarity	NPC478264
0.8138	Intermediate Similarity	NPC92867
0.8138	Intermediate Similarity	NPC311825
0.8133	Intermediate Similarity	NPC70344
0.8112	Intermediate Similarity	NPC16912
0.8099	Intermediate Similarity	NPC214550
0.8099	Intermediate Similarity	NPC210591
0.8099	Intermediate Similarity	NPC475652
0.8092	Intermediate Similarity	NPC309991
0.8092	Intermediate Similarity	NPC323356
0.8092	Intermediate Similarity	NPC471138
0.8092	Intermediate Similarity	NPC326328
0.8088	Intermediate Similarity	NPC472706
0.8082	Intermediate Similarity	NPC473602
0.8071	Intermediate Similarity	NPC471911
0.8071	Intermediate Similarity	NPC477368
0.8071	Intermediate Similarity	NPC477359
0.8071	Intermediate Similarity	NPC4242
0.8045	Intermediate Similarity	NPC50872
0.8043	Intermediate Similarity	NPC122504
0.8043	Intermediate Similarity	NPC475671
0.8043	Intermediate Similarity	NPC3450
0.8043	Intermediate Similarity	NPC475452
0.8042	Intermediate Similarity	NPC171207
0.8042	Intermediate Similarity	NPC472547
0.8042	Intermediate Similarity	NPC97667
0.8042	Intermediate Similarity	NPC90614
0.8041	Intermediate Similarity	NPC476173
0.8041	Intermediate Similarity	NPC31829
0.8028	Intermediate Similarity	NPC183122
0.8028	Intermediate Similarity	NPC283375
0.8015	Intermediate Similarity	NPC121272
0.8014	Intermediate Similarity	NPC232888
0.8014	Intermediate Similarity	NPC477367
0.8	Intermediate Similarity	NPC147217
0.8	Intermediate Similarity	NPC472658
0.8	Intermediate Similarity	NPC477364
0.8	Intermediate Similarity	NPC472657
0.8	Intermediate Similarity	NPC270498
0.8	Intermediate Similarity	NPC473673
0.8	Intermediate Similarity	NPC139067
0.8	Intermediate Similarity	NPC475429
0.8	Intermediate Similarity	NPC177340
0.8	Intermediate Similarity	NPC191082
0.8	Intermediate Similarity	NPC246480
0.7986	Intermediate Similarity	NPC470278
0.7986	Intermediate Similarity	NPC291599
0.7986	Intermediate Similarity	NPC97947
0.7986	Intermediate Similarity	NPC41481
0.7986	Intermediate Similarity	NPC87448
0.7986	Intermediate Similarity	NPC72915
0.7986	Intermediate Similarity	NPC472576
0.7986	Intermediate Similarity	NPC27377
0.7986	Intermediate Similarity	NPC118080
0.7959	Intermediate Similarity	NPC474935
0.7958	Intermediate Similarity	NPC472551
0.7958	Intermediate Similarity	NPC52523
0.7958	Intermediate Similarity	NPC472374
0.7958	Intermediate Similarity	NPC217673
0.7958	Intermediate Similarity	NPC472372
0.7958	Intermediate Similarity	NPC472545
0.7947	Intermediate Similarity	NPC469456
0.7945	Intermediate Similarity	NPC11685
0.7945	Intermediate Similarity	NPC57628
0.7945	Intermediate Similarity	NPC95810
0.7945	Intermediate Similarity	NPC472573
0.7945	Intermediate Similarity	NPC70716
0.7945	Intermediate Similarity	NPC95265
0.7945	Intermediate Similarity	NPC163719
0.7945	Intermediate Similarity	NPC125106
0.7945	Intermediate Similarity	NPC25768
0.7945	Intermediate Similarity	NPC472569
0.7945	Intermediate Similarity	NPC476974
0.7945	Intermediate Similarity	NPC51314
0.7945	Intermediate Similarity	NPC67777
0.7945	Intermediate Similarity	NPC188865
0.7945	Intermediate Similarity	NPC472570
0.7945	Intermediate Similarity	NPC470231
0.7931	Intermediate Similarity	NPC472546

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC149401 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	230
0.1-0.2	755
0.2-0.3	1382
0.3-0.4	2793
0.4-0.5	2433
0.5-0.6	1253
0.6-0.7	293
0.7-0.8	22
0.8-0.85	0
0.85-0.9	0
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.7956	Intermediate Similarity	NPD6007	Clinical (unspecified phase)
0.775	Intermediate Similarity	NPD7799	Discontinued
0.7651	Intermediate Similarity	NPD7236	Approved
0.7647	Intermediate Similarity	NPD7457	Clinical (unspecified phase)
0.7615	Intermediate Similarity	NPD2181	Clinical (unspecified phase)
0.7516	Intermediate Similarity	NPD7239	Suspended
0.7328	Intermediate Similarity	NPD2182	Approved
0.7292	Intermediate Similarity	NPD5952	Clinical (unspecified phase)
0.726	Intermediate Similarity	NPD7966	Clinical (unspecified phase)
0.7176	Intermediate Similarity	NPD6685	Approved
0.7111	Intermediate Similarity	NPD6858	Approved
0.7111	Intermediate Similarity	NPD7094	Approved
0.7086	Intermediate Similarity	NPD6005	Phase 3
0.7086	Intermediate Similarity	NPD6002	Phase 3
0.7086	Intermediate Similarity	NPD6003	Clinical (unspecified phase)
0.7086	Intermediate Similarity	NPD6006	Clinical (unspecified phase)
0.7086	Intermediate Similarity	NPD6004	Phase 3
0.7081	Intermediate Similarity	NPD7058	Phase 2
0.7081	Intermediate Similarity	NPD7057	Phase 3
0.705	Intermediate Similarity	NPD7741	Discontinued
0.7023	Intermediate Similarity	NPD164	Approved
0.7015	Intermediate Similarity	NPD2067	Discontinued
0.6977	Remote Similarity	NPD1238	Approved
0.6972	Remote Similarity	NPD6287	Discontinued
0.695	Remote Similarity	NPD3412	Clinical (unspecified phase)
0.6948	Remote Similarity	NPD4628	Phase 3
0.6947	Remote Similarity	NPD5765	Approved
0.6941	Remote Similarity	NPD7685	Pre-registration
0.694	Remote Similarity	NPD6831	Clinical (unspecified phase)
0.6912	Remote Similarity	NPD6912	Phase 3
0.6908	Remote Similarity	NPD7137	Phase 2
0.6884	Remote Similarity	NPD2629	Approved
0.6884	Remote Similarity	NPD690	Clinical (unspecified phase)
0.6818	Remote Similarity	NPD5738	Clinical (unspecified phase)
0.6779	Remote Similarity	NPD3764	Approved
0.6765	Remote Similarity	NPD8470	Clinical (unspecified phase)
0.6748	Remote Similarity	NPD5761	Phase 2
0.6748	Remote Similarity	NPD5760	Phase 2
0.6744	Remote Similarity	NPD6765	Approved
0.6744	Remote Similarity	NPD6764	Approved
0.6735	Remote Similarity	NPD5740	Clinical (unspecified phase)
0.6735	Remote Similarity	NPD6085	Phase 2
0.6733	Remote Similarity	NPD7961	Discontinued
0.673	Remote Similarity	NPD6273	Approved
0.6724	Remote Similarity	NPD8407	Phase 2
0.6714	Remote Similarity	NPD4198	Discontinued
0.6711	Remote Similarity	NPD7008	Discontinued
0.6711	Remote Similarity	NPD6653	Approved
0.6707	Remote Similarity	NPD8127	Discontinued
0.6687	Remote Similarity	NPD5537	Clinical (unspecified phase)
0.6667	Remote Similarity	NPD1609	Clinical (unspecified phase)
0.6667	Remote Similarity	NPD2569	Approved
0.6667	Remote Similarity	NPD2567	Approved
0.6648	Remote Similarity	NPD8434	Phase 2
0.6647	Remote Similarity	NPD8368	Discontinued
0.6645	Remote Similarity	NPD7702	Clinical (unspecified phase)
0.6644	Remote Similarity	NPD7055	Discontinued
0.6644	Remote Similarity	NPD6832	Phase 2
0.6623	Remote Similarity	NPD6663	Approved
0.6599	Remote Similarity	NPD1876	Approved
0.6591	Remote Similarity	NPD8055	Clinical (unspecified phase)
0.6591	Remote Similarity	NPD7798	Approved
0.6591	Remote Similarity	NPD6785	Approved
0.6591	Remote Similarity	NPD6784	Approved
0.6575	Remote Similarity	NPD6637	Approved
0.6573	Remote Similarity	NPD9545	Approved
0.6567	Remote Similarity	NPD6647	Phase 2
0.6562	Remote Similarity	NPD8389	Clinical (unspecified phase)
0.6554	Remote Similarity	NPD6362	Approved
0.6536	Remote Similarity	NPD6355	Discontinued
0.6525	Remote Similarity	NPD4766	Approved
0.6525	Remote Similarity	NPD5951	Approved
0.6519	Remote Similarity	NPD6398	Clinical (unspecified phase)
0.6513	Remote Similarity	NPD7713	Phase 3
0.6503	Remote Similarity	NPD6591	Clinical (unspecified phase)
0.6486	Remote Similarity	NPD5667	Approved
0.6483	Remote Similarity	NPD5126	Approved
0.6483	Remote Similarity	NPD5125	Phase 3
0.6481	Remote Similarity	NPD6980	Clinical (unspecified phase)
0.6475	Remote Similarity	NPD4141	Clinical (unspecified phase)
0.6467	Remote Similarity	NPD3664	Approved
0.6467	Remote Similarity	NPD3662	Phase 3
0.6467	Remote Similarity	NPD5736	Approved
0.6467	Remote Similarity	NPD3663	Approved
0.6467	Remote Similarity	NPD3661	Approved
0.6463	Remote Similarity	NPD7028	Phase 2
0.6463	Remote Similarity	NPD6599	Discontinued
0.6462	Remote Similarity	NPD1202	Approved
0.6461	Remote Similarity	NPD8424	Clinical (unspecified phase)
0.6458	Remote Similarity	NPD7009	Phase 2
0.6444	Remote Similarity	NPD1931	Clinical (unspecified phase)
0.6444	Remote Similarity	NPD1929	Approved
0.6444	Remote Similarity	NPD1930	Approved
0.6433	Remote Similarity	NPD2343	Clinical (unspecified phase)
0.6433	Remote Similarity	NPD5763	Approved
0.6433	Remote Similarity	NPD5762	Approved
0.6429	Remote Similarity	NPD969	Suspended
0.6423	Remote Similarity	NPD7899	Clinical (unspecified phase)
0.6417	Remote Similarity	NPD7497	Discontinued
0.6415	Remote Similarity	NPD8166	Discontinued
0.641	Remote Similarity	NPD3748	Approved
0.6405	Remote Similarity	NPD8032	Phase 2
0.6403	Remote Similarity	NPD4233	Approved
0.6403	Remote Similarity	NPD4234	Approved
0.64	Remote Similarity	NPD5647	Approved
0.6397	Remote Similarity	NPD5909	Discontinued
0.6395	Remote Similarity	NPD4807	Approved
0.6395	Remote Similarity	NPD4806	Approved
0.6389	Remote Similarity	NPD8361	Approved
0.6389	Remote Similarity	NPD8435	Approved
0.6389	Remote Similarity	NPD8360	Approved
0.6376	Remote Similarity	NPD2198	Approved
0.6376	Remote Similarity	NPD2199	Approved
0.637	Remote Similarity	NPD7163	Clinical (unspecified phase)
0.637	Remote Similarity	NPD5305	Approved
0.637	Remote Similarity	NPD5306	Approved
0.637	Remote Similarity	NPD17	Approved
0.6369	Remote Similarity	NPD2438	Suspended
0.6364	Remote Similarity	NPD1989	Approved
0.6358	Remote Similarity	NPD7084	Phase 3
0.6358	Remote Similarity	NPD7004	Clinical (unspecified phase)
0.6351	Remote Similarity	NPD3972	Approved
0.6347	Remote Similarity	NPD7819	Suspended
0.6347	Remote Similarity	NPD7096	Clinical (unspecified phase)
0.6343	Remote Similarity	NPD2066	Phase 3
0.6336	Remote Similarity	NPD5122	Clinical (unspecified phase)
0.6331	Remote Similarity	NPD7075	Discontinued
0.6323	Remote Similarity	NPD230	Phase 1
0.6319	Remote Similarity	NPD4230	Clinical (unspecified phase)
0.6312	Remote Similarity	NPD4110	Phase 3
0.6312	Remote Similarity	NPD2575	Approved
0.6312	Remote Similarity	NPD4109	Clinical (unspecified phase)
0.6306	Remote Similarity	NPD7305	Phase 1
0.6306	Remote Similarity	NPD2799	Discontinued
0.6303	Remote Similarity	NPD7458	Discontinued
0.6301	Remote Similarity	NPD5585	Approved
0.6299	Remote Similarity	NPD9259	Approved
0.6299	Remote Similarity	NPD9257	Approved
0.6296	Remote Similarity	NPD6799	Approved
0.6296	Remote Similarity	NPD6143	Clinical (unspecified phase)
0.628	Remote Similarity	NPD5403	Approved
0.6278	Remote Similarity	NPD8150	Discontinued
0.6277	Remote Similarity	NPD1237	Approved
0.6276	Remote Similarity	NPD7610	Discontinued
0.6275	Remote Similarity	NPD6039	Approved
0.6273	Remote Similarity	NPD6190	Approved
0.6273	Remote Similarity	NPD3887	Approved
0.6266	Remote Similarity	NPD2796	Approved
0.6258	Remote Similarity	NPD5401	Approved
0.6258	Remote Similarity	NPD4307	Phase 2
0.6257	Remote Similarity	NPD5494	Approved
0.625	Remote Similarity	NPD7421	Clinical (unspecified phase)
0.625	Remote Similarity	NPD5204	Approved
0.6242	Remote Similarity	NPD1608	Approved
0.6235	Remote Similarity	NPD6652	Clinical (unspecified phase)
0.6232	Remote Similarity	NPD5048	Discontinued
0.6231	Remote Similarity	NPD3672	Approved
0.6231	Remote Similarity	NPD3673	Approved
0.6228	Remote Similarity	NPD6385	Approved
0.6228	Remote Similarity	NPD6386	Approved
0.6224	Remote Similarity	NPD1241	Discontinued
0.6224	Remote Similarity	NPD2652	Approved
0.6224	Remote Similarity	NPD2650	Approved
0.6221	Remote Similarity	NPD7199	Phase 2
0.622	Remote Similarity	NPD7314	Clinical (unspecified phase)
0.6218	Remote Similarity	NPD1899	Clinical (unspecified phase)
0.6216	Remote Similarity	NPD4106	Approved
0.6216	Remote Similarity	NPD4135	Approved
0.6216	Remote Similarity	NPD4136	Approved
0.6213	Remote Similarity	NPD5402	Approved
0.6213	Remote Similarity	NPD5353	Approved
0.6211	Remote Similarity	NPD3750	Approved
0.6211	Remote Similarity	NPD1878	Clinical (unspecified phase)
0.6209	Remote Similarity	NPD2613	Approved
0.6207	Remote Similarity	NPD9493	Approved
0.6203	Remote Similarity	NPD7033	Discontinued
0.6194	Remote Similarity	NPD7715	Approved
0.6194	Remote Similarity	NPD7714	Approved
0.619	Remote Similarity	NPD6801	Discontinued
0.6184	Remote Similarity	NPD2798	Approved
0.6184	Remote Similarity	NPD1019	Discontinued
0.6183	Remote Similarity	NPD8485	Approved
0.6182	Remote Similarity	NPD920	Approved
0.6178	Remote Similarity	NPD3528	Clinical (unspecified phase)
0.6176	Remote Similarity	NPD4966	Approved
0.6176	Remote Similarity	NPD7768	Phase 2
0.6176	Remote Similarity	NPD4965	Approved
0.6176	Remote Similarity	NPD4967	Phase 2
0.6176	Remote Similarity	NPD4868	Clinical (unspecified phase)
0.617	Remote Similarity	NPD5240	Approved
0.617	Remote Similarity	NPD5235	Approved
0.617	Remote Similarity	NPD5237	Approved
0.617	Remote Similarity	NPD5239	Approved
0.617	Remote Similarity	NPD5236	Approved
0.6168	Remote Similarity	NPD4380	Phase 2
0.6165	Remote Similarity	NPD1693	Approved
0.6164	Remote Similarity	NPD2935	Discontinued
0.6159	Remote Similarity	NPD2532	Approved
0.6159	Remote Similarity	NPD2534	Approved
0.6159	Remote Similarity	NPD2533	Approved

Structure

CID149401 OpenBabel06191715522D 55 59 0 0 1 0 0 0 0 0999 V2000 -0.0114 5.8350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3136 1.8745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3331 4.8211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9246 -2.3029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7794 1.8702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5252 -0.4923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4853 -2.0707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2414 -1.4677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5768 4.1285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6624 -0.2397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9556 5.8206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8191 -0.6490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9816 -1.1325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8191 0.3180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1441 -0.6490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9816 0.8016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6507 -0.0701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0040 0.8301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5485 2.2369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6387 0.5926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7106 2.6305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6312 4.7489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9684 -2.1588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9946 2.8130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5697 -0.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1441 0.3180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6945 -0.2142 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4011 1.5862 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4265 4.9759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9950 2.4237 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0915 0.5419 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4015 3.3012 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0387 2.2796 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3066 0.8016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6316 0.8016 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3412 -1.1144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3616 3.1857 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8326 0.2568 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.4448 1.4421 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7039 1.7659 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.0639 3.5307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1760 5.5479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3655 -2.9148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9187 3.0980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2214 -1.5438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3935 4.9615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3066 1.7686 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 -1.7544 2.4864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0508 3.8776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9305 4.1458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4691 0.3180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6151 -1.2585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2857 3.4707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3555 0.8638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 2 21 1 0 0 0 0 3 22 1 0 0 0 0 4 23 1 0 0 0 0 5 24 1 0 0 0 0 6 25 1 0 0 0 0 7 36 1 0 0 0 0 8 36 1 0 0 0 0 11 29 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 13 15 1 0 0 0 0 14 16 2 0 0 0 0 15 26 2 0 0 0 0 16 26 1 0 0 0 0 17 18 2 0 0 0 0 17 27 1 0 0 0 0 18 28 1 0 0 0 0 19 37 1 0 0 0 0 19 40 1 0 0 0 0 20 48 1 0 0 0 0 21 41 2 0 0 0 0 21 49 1 0 0 0 0 22 42 2 0 0 0 0 22 50 1 0 0 0 0 23 43 2 0 0 0 0 23 53 1 0 0 0 0 24 44 2 0 0 0 0 24 54 1 0 0 0 0 25 45 2 0 0 0 0 25 55 1 0 0 0 0 26 34 1 0 0 0 0 27 31 1 0 0 0 0 27 36 1 1 0 0 0 28 39 1 1 0 0 0 28 49 1 0 0 0 0 29 46 2 0 0 0 0 29 51 1 0 0 0 0 30 32 1 0 0 0 0 30 33 1 0 0 0 0 30 40 1 1 0 0 0 31 38 1 6 0 0 0 31 39 1 0 0 0 0 32 37 1 1 0 0 0 32 51 1 0 0 0 0 33 39 1 6 0 0 0 33 50 1 0 0 0 0 34 47 2 0 0 0 0 34 52 1 0 0 0 0 35 38 1 6 0 0 0 35 40 1 0 0 0 0 35 52 1 0 0 0 0 36 53 1 0 0 0 0 37 9 1 1 0 0 0 37 54 1 0 0 0 0 38 10 1 1 0 0 0 38 48 1 0 0 0 0 39 20 1 6 0 0 0 40 55 1 1 0 0 0 M END $$$$

External Identifiers

PubChem CID	12015978
ChEMBL	CHEMBL1927845
ZINC

Physicochemical Properties

Molecular Weight:	770.31
ALogP:	-0.5387
MLogP:	4.21
XLogP:	6.08
# Rotatable Bonds:	27
Polar Surface Area:	193.33
# H-Bond Aceptor:	15
# H-Bond Donor:	0
# Rings:	5
# Heavy Atoms:	55

Download Data

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