NPASS Natural Product

Natural Product: NPC134925

Natural Product ID:	NPC134925
Common Name:	n.a.
IUPAC Name:
Synonyms:	1,3,4,5 Tetra-O-Galloylquinic Acid
Molecular Formula:	C35H28O22
Standard InCHIKey:	JQVXKQDWMIXILH-ZVLUUUFJSA-N
Standard InCHI:	InChI=1S/C35H28O22/c36-15-1-11(2-16(37)25(15)44)30(48)54-23-9-35(34(52)53,57-33(51)14-7-21(42)28(47)22(43)8-14)10-24(55-31(49)12-3-17(38)26(45)18(39)4-12)29(23)56-32(50)13-5-19(40)27(46)20(41)6-13/h1-8,23-24,29,36-47H,9-10H2,(H,52,53)/t23-,24-,29-,35+/m1/s1
Canonical SMILES:	O=C(c1cc(O)c(c(c1)O)O)O[C@@H]1C[C@](C[C@H]([C@H]1OC(=O)c1cc(O)c(c(c1)O)O)OC(=O)c1cc(O)c(c(c1)O)O)(OC(=O)c1cc(O)c(c(c1)O)O)C(=O)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
NPO32818	lepidobotrys staudtii	Species	Lepidobotryaceae	Eukaryota	Cameroon			PMID[11430019]

Biological Activity

Activity Type	# Activity
EC50	2
ED50	5
IC50	3
Others	7

Activity Type	# Activity
Cell Line	5
Individual Protein	1
Organism	5
Others	5
Protein Family	1

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT180	Cell Line	HCT-8	Homo sapiens	ED50	>	10	ug/ml	19902967
NPT2	Others	Unspecified		IC50	=	800	nM	24079846
NPT26	Individual Protein	Reverse transcriptase	Human immunodeficiency virus 1	IC50	=	800	nM	24079846
NPT91	Cell Line	KB	Homo sapiens	ED50	>	10	ug/ml	21807523
NPT672	Cell Line	TE-671	Homo sapiens	ED50	>	10	ug/ml	17438054
NPT2	Others	Unspecified		ED50	=	0.43	ug/ml	7769398
NPT24	Organism	Human immunodeficiency virus 1	Human immunodeficiency virus 1	EC50	=	500	nM	9157192
NPT3795	Organism	Human immunodeficiency virus 2	Human immunodeficiency virus 2	EC50	=	10000000	nM	17428663
NPT316	Protein Family	Protein kinase C (PKC)	Homo sapiens	IC50	=	64000	nM	17524651
NPT2	Others	Unspecified		Inhibition	=	94	%	12617583
NPT81	Cell Line	A549	Homo sapiens	ED50	>	10	ug/ml	DrugMatrix in vitro pharmacology data
NPT24	Organism	Human immunodeficiency virus 1	Human immunodeficiency virus 1	Inhibition	=	66	%	DrugMatrix in vitro pharmacology data
NPT759	Cell Line	H9	Homo sapiens	Inhibition	=	25	%	DrugMatrix in vitro pharmacology data
NPT2	Others	Unspecified		Inhibition	=	36	%	25443644
NPT2	Others	Unspecified		Inhibition	=	84	%	25443644
NPT24	Organism	Human immunodeficiency virus 1	Human immunodeficiency virus 1	Inhibition	=	52	%	19902967
NPT24	Organism	Human immunodeficiency virus 1	Human immunodeficiency virus 1	Inhibition	=	15	%	23030848

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 NPC134925 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	321
0.1-0.2	1243
0.2-0.3	2687
0.3-0.4	5970
0.4-0.5	6848
0.5-0.6	3515
0.6-0.7	5153
0.7-0.8	4701
0.8-0.85	322
0.85-0.9	111
0.9-0.95	17
0.95-1	1

Similarity Score	Similarity Level	Natural Product ID
0.9662	High Similarity	NPC252979
0.94	High Similarity	NPC477334
0.9329	High Similarity	NPC43123
0.9267	High Similarity	NPC42464
0.9226	High Similarity	NPC210501
0.9226	High Similarity	NPC318826
0.9226	High Similarity	NPC114791
0.9226	High Similarity	NPC141331
0.9226	High Similarity	NPC104222
0.9221	High Similarity	NPC239019
0.9221	High Similarity	NPC247629
0.9205	High Similarity	NPC306343
0.92	High Similarity	NPC142528
0.9161	High Similarity	NPC238419
0.9161	High Similarity	NPC172419
0.9128	High Similarity	NPC477333
0.906	High Similarity	NPC50221
0.906	High Similarity	NPC114242
0.8933	High Similarity	NPC226738
0.8933	High Similarity	NPC22176
0.8933	High Similarity	NPC190587
0.8933	High Similarity	NPC121573
0.891	High Similarity	NPC145425
0.8903	High Similarity	NPC44260
0.8903	High Similarity	NPC3746
0.8903	High Similarity	NPC16024
0.8903	High Similarity	NPC205037
0.8903	High Similarity	NPC61152
0.8867	High Similarity	NPC284948
0.8867	High Similarity	NPC220664
0.8867	High Similarity	NPC319628
0.8867	High Similarity	NPC37331
0.8867	High Similarity	NPC303090
0.8827	High Similarity	NPC43918
0.8827	High Similarity	NPC261411
0.8827	High Similarity	NPC190204
0.8827	High Similarity	NPC217781
0.88	High Similarity	NPC477335
0.88	High Similarity	NPC35702
0.88	High Similarity	NPC297517
0.88	High Similarity	NPC224389
0.88	High Similarity	NPC13818
0.88	High Similarity	NPC471027
0.88	High Similarity	NPC206095
0.879	High Similarity	NPC203757
0.8773	High Similarity	NPC198125
0.8773	High Similarity	NPC149300
0.8773	High Similarity	NPC95421
0.8765	High Similarity	NPC175793
0.8765	High Similarity	NPC49983
0.8765	High Similarity	NPC317671
0.8765	High Similarity	NPC142707
0.8765	High Similarity	NPC26536
0.8742	High Similarity	NPC192831
0.8742	High Similarity	NPC277315
0.8742	High Similarity	NPC258469
0.8742	High Similarity	NPC472016
0.8742	High Similarity	NPC43158
0.8734	High Similarity	NPC470896
0.8734	High Similarity	NPC473275
0.872	High Similarity	NPC47521
0.8718	High Similarity	NPC163883
0.8718	High Similarity	NPC93498
0.8712	High Similarity	NPC311389
0.8712	High Similarity	NPC470271
0.8704	High Similarity	NPC162169
0.8704	High Similarity	NPC166851
0.8701	High Similarity	NPC192568
0.8701	High Similarity	NPC120621
0.8701	High Similarity	NPC248257
0.8701	High Similarity	NPC471076
0.8688	High Similarity	NPC476373
0.8667	High Similarity	NPC12218
0.8667	High Similarity	NPC100251
0.8667	High Similarity	NPC65333
0.8667	High Similarity	NPC105525
0.8667	High Similarity	NPC476370
0.8667	High Similarity	NPC225036
0.8667	High Similarity	NPC75763
0.8662	High Similarity	NPC19380
0.8662	High Similarity	NPC146277
0.8645	High Similarity	NPC75945
0.8645	High Similarity	NPC92117
0.8636	High Similarity	NPC229264
0.8636	High Similarity	NPC322660
0.8616	High Similarity	NPC104983
0.8616	High Similarity	NPC250436
0.8616	High Similarity	NPC300845
0.8616	High Similarity	NPC88803
0.8616	High Similarity	NPC291948
0.8614	High Similarity	NPC476374
0.8614	High Similarity	NPC98583
0.8606	High Similarity	NPC470272
0.86	High Similarity	NPC24295
0.86	High Similarity	NPC283560
0.86	High Similarity	NPC219428
0.86	High Similarity	NPC239943
0.86	High Similarity	NPC37250
0.86	High Similarity	NPC152942
0.86	High Similarity	NPC302857
0.86	High Similarity	NPC278068
0.86	High Similarity	NPC142703
0.8598	High Similarity	NPC31034
0.8596	High Similarity	NPC269625
0.858	High Similarity	NPC476372
0.858	High Similarity	NPC476371
0.8562	High Similarity	NPC156818
0.8562	High Similarity	NPC160512
0.8562	High Similarity	NPC289322
0.8562	High Similarity	NPC68324
0.8562	High Similarity	NPC38779
0.8562	High Similarity	NPC114179
0.8543	High Similarity	NPC476820
0.8543	High Similarity	NPC295492
0.8543	High Similarity	NPC474875
0.8543	High Similarity	NPC274891
0.8543	High Similarity	NPC476819
0.8543	High Similarity	NPC205751
0.8543	High Similarity	NPC26241
0.8543	High Similarity	NPC303683
0.8535	High Similarity	NPC140151
0.8529	High Similarity	NPC135831
0.8529	High Similarity	NPC297503
0.8529	High Similarity	NPC97119
0.8523	High Similarity	NPC18646
0.8519	High Similarity	NPC266365
0.8509	High Similarity	NPC471750
0.8509	High Similarity	NPC87317
0.85	High Similarity	NPC318432
0.8491	Intermediate Similarity	NPC469888
0.8485	Intermediate Similarity	NPC473818
0.8476	Intermediate Similarity	NPC142614
0.8471	Intermediate Similarity	NPC8940
0.8467	Intermediate Similarity	NPC156892
0.8466	Intermediate Similarity	NPC291957
0.8466	Intermediate Similarity	NPC4013
0.8466	Intermediate Similarity	NPC14030
0.8466	Intermediate Similarity	NPC90905
0.8457	Intermediate Similarity	NPC289346
0.8457	Intermediate Similarity	NPC24164
0.8457	Intermediate Similarity	NPC53889
0.8443	Intermediate Similarity	NPC5786
0.8443	Intermediate Similarity	NPC102851
0.8442	Intermediate Similarity	NPC229036
0.8434	Intermediate Similarity	NPC658
0.8434	Intermediate Similarity	NPC197708
0.843	Intermediate Similarity	NPC112380
0.8428	Intermediate Similarity	NPC83663
0.8428	Intermediate Similarity	NPC475216
0.8428	Intermediate Similarity	NPC475595
0.8428	Intermediate Similarity	NPC475162
0.8428	Intermediate Similarity	NPC266084
0.8428	Intermediate Similarity	NPC475145
0.8428	Intermediate Similarity	NPC473544
0.8415	Intermediate Similarity	NPC227297
0.8415	Intermediate Similarity	NPC470898
0.8412	Intermediate Similarity	NPC198902
0.8402	Intermediate Similarity	NPC472723
0.8389	Intermediate Similarity	NPC1321
0.8389	Intermediate Similarity	NPC304929
0.8389	Intermediate Similarity	NPC156124
0.8387	Intermediate Similarity	NPC108455
0.8383	Intermediate Similarity	NPC476365
0.8382	Intermediate Similarity	NPC475179
0.8375	Intermediate Similarity	NPC281703
0.8375	Intermediate Similarity	NPC125487
0.8365	Intermediate Similarity	NPC75695
0.8354	Intermediate Similarity	NPC33298
0.8354	Intermediate Similarity	NPC285108
0.8353	Intermediate Similarity	NPC293626
0.8353	Intermediate Similarity	NPC196127
0.8353	Intermediate Similarity	NPC217387
0.8353	Intermediate Similarity	NPC258044
0.8353	Intermediate Similarity	NPC37668
0.8353	Intermediate Similarity	NPC253521
0.8353	Intermediate Similarity	NPC113836
0.8353	Intermediate Similarity	NPC267680
0.8333	Intermediate Similarity	NPC68517
0.8333	Intermediate Similarity	NPC98356
0.8324	Intermediate Similarity	NPC469650
0.8324	Intermediate Similarity	NPC104910
0.8324	Intermediate Similarity	NPC474093
0.8323	Intermediate Similarity	NPC280493
0.8313	Intermediate Similarity	NPC474656
0.8313	Intermediate Similarity	NPC471823
0.8304	Intermediate Similarity	NPC80956
0.8294	Intermediate Similarity	NPC61904
0.8294	Intermediate Similarity	NPC144097
0.8286	Intermediate Similarity	NPC201814
0.8282	Intermediate Similarity	NPC287872
0.8282	Intermediate Similarity	NPC74319
0.8278	Intermediate Similarity	NPC233350
0.8278	Intermediate Similarity	NPC182217
0.8278	Intermediate Similarity	NPC70680
0.8276	Intermediate Similarity	NPC469649
0.8276	Intermediate Similarity	NPC260521
0.8276	Intermediate Similarity	NPC30011
0.8276	Intermediate Similarity	NPC97817
0.8276	Intermediate Similarity	NPC72554
0.8274	Intermediate Similarity	NPC180768

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC134925 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	855
0.2-0.3	1852
0.3-0.4	2797
0.4-0.5	1952
0.5-0.6	1002
0.6-0.7	281
0.7-0.8	92
0.8-0.85	5
0.85-0.9	3
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.8867	High Similarity	NPD6190	Approved
0.878	High Similarity	NPD7993	Clinical (unspecified phase)
0.8616	High Similarity	NPD4868	Clinical (unspecified phase)
0.8389	Intermediate Similarity	NPD230	Phase 1
0.8036	Intermediate Similarity	NPD6167	Clinical (unspecified phase)
0.8036	Intermediate Similarity	NPD6168	Clinical (unspecified phase)
0.8036	Intermediate Similarity	NPD6166	Phase 2
0.8023	Intermediate Similarity	NPD4338	Clinical (unspecified phase)
0.7907	Intermediate Similarity	NPD6797	Phase 2
0.7879	Intermediate Similarity	NPD3817	Phase 2
0.7861	Intermediate Similarity	NPD7251	Discontinued
0.7831	Intermediate Similarity	NPD3882	Suspended
0.7816	Intermediate Similarity	NPD7808	Phase 3
0.7771	Intermediate Similarity	NPD5402	Approved
0.777	Intermediate Similarity	NPD9269	Phase 2
0.7711	Intermediate Similarity	NPD2801	Approved
0.7711	Intermediate Similarity	NPD1465	Phase 2
0.7688	Intermediate Similarity	NPD5844	Phase 1
0.7684	Intermediate Similarity	NPD8055	Clinical (unspecified phase)
0.7679	Intermediate Similarity	NPD7075	Discontinued
0.7654	Intermediate Similarity	NPD8397	Clinical (unspecified phase)
0.7651	Intermediate Similarity	NPD1934	Approved
0.7644	Intermediate Similarity	NPD7472	Approved
0.763	Intermediate Similarity	NPD3818	Discontinued
0.7607	Intermediate Similarity	NPD1512	Approved
0.7605	Intermediate Similarity	NPD2393	Clinical (unspecified phase)
0.7602	Intermediate Similarity	NPD6232	Discontinued
0.7586	Intermediate Similarity	NPD7054	Approved
0.7569	Intermediate Similarity	NPD7879	Clinical (unspecified phase)
0.7561	Intermediate Similarity	NPD6980	Clinical (unspecified phase)
0.7557	Intermediate Similarity	NPD7685	Pre-registration
0.7543	Intermediate Similarity	NPD7074	Phase 3
0.753	Intermediate Similarity	NPD4380	Phase 2
0.75	Intermediate Similarity	NPD7096	Clinical (unspecified phase)
0.75	Intermediate Similarity	NPD9268	Approved
0.7485	Intermediate Similarity	NPD6799	Approved
0.7485	Intermediate Similarity	NPD1511	Approved
0.7471	Intermediate Similarity	NPD7473	Discontinued
0.7455	Intermediate Similarity	NPD5403	Approved
0.7444	Intermediate Similarity	NPD8150	Discontinued
0.744	Intermediate Similarity	NPD6801	Discontinued
0.7438	Intermediate Similarity	NPD7266	Discontinued
0.7427	Intermediate Similarity	NPD6234	Discontinued
0.7414	Intermediate Similarity	NPD7852	Clinical (unspecified phase)
0.7407	Intermediate Similarity	NPD8166	Discontinued
0.7389	Intermediate Similarity	NPD943	Approved
0.7386	Intermediate Similarity	NPD7804	Clinical (unspecified phase)
0.7372	Intermediate Similarity	NPD3764	Approved
0.7368	Intermediate Similarity	NPD4381	Clinical (unspecified phase)
0.7341	Intermediate Similarity	NPD6959	Discontinued
0.7333	Intermediate Similarity	NPD5401	Approved
0.733	Intermediate Similarity	NPD3751	Discontinued
0.733	Intermediate Similarity	NPD7228	Approved
0.731	Intermediate Similarity	NPD7768	Phase 2
0.7299	Intermediate Similarity	NPD3787	Discontinued
0.7278	Intermediate Similarity	NPD7411	Suspended
0.7278	Intermediate Similarity	NPD8313	Approved
0.7278	Intermediate Similarity	NPD8312	Approved
0.7273	Intermediate Similarity	NPD6143	Clinical (unspecified phase)
0.7273	Intermediate Similarity	NPD7390	Discontinued
0.7257	Intermediate Similarity	NPD7184	Clinical (unspecified phase)
0.7235	Intermediate Similarity	NPD37	Approved
0.7219	Intermediate Similarity	NPD6599	Discontinued
0.7215	Intermediate Similarity	NPD6233	Phase 2
0.7209	Intermediate Similarity	NPD4967	Phase 2
0.7209	Intermediate Similarity	NPD4966	Approved
0.7209	Intermediate Similarity	NPD4965	Approved
0.7205	Intermediate Similarity	NPD651	Clinical (unspecified phase)
0.7202	Intermediate Similarity	NPD1653	Approved
0.72	Intermediate Similarity	NPD9545	Approved
0.7195	Intermediate Similarity	NPD4628	Phase 3
0.7193	Intermediate Similarity	NPD7819	Suspended
0.7184	Intermediate Similarity	NPD5494	Approved
0.7168	Intermediate Similarity	NPD3749	Approved
0.7165	Intermediate Similarity	NPD8151	Discontinued
0.7151	Intermediate Similarity	NPD5353	Approved
0.7151	Intermediate Similarity	NPD8443	Clinical (unspecified phase)
0.7126	Intermediate Similarity	NPD7410	Clinical (unspecified phase)
0.7126	Intermediate Similarity	NPD4378	Clinical (unspecified phase)
0.7126	Intermediate Similarity	NPD7422	Clinical (unspecified phase)
0.7099	Intermediate Similarity	NPD1510	Phase 2
0.7093	Intermediate Similarity	NPD8455	Phase 2
0.7091	Intermediate Similarity	NPD3750	Approved
0.7089	Intermediate Similarity	NPD3027	Phase 3
0.7083	Intermediate Similarity	NPD7435	Discontinued
0.7073	Intermediate Similarity	NPD1549	Phase 2
0.7073	Intermediate Similarity	NPD970	Clinical (unspecified phase)
0.707	Intermediate Similarity	NPD9494	Approved
0.7065	Intermediate Similarity	NPD8434	Phase 2
0.7059	Intermediate Similarity	NPD3455	Phase 2
0.7047	Intermediate Similarity	NPD8319	Approved
0.7047	Intermediate Similarity	NPD8320	Phase 1
0.7045	Intermediate Similarity	NPD7199	Phase 2
0.703	Intermediate Similarity	NPD7421	Clinical (unspecified phase)
0.7021	Intermediate Similarity	NPD6534	Approved
0.7021	Intermediate Similarity	NPD6535	Approved
0.7012	Intermediate Similarity	NPD1552	Clinical (unspecified phase)
0.7012	Intermediate Similarity	NPD1550	Clinical (unspecified phase)
0.7	Intermediate Similarity	NPD7699	Phase 2
0.7	Intermediate Similarity	NPD7700	Phase 2
0.6978	Remote Similarity	NPD7240	Approved
0.6978	Remote Similarity	NPD6559	Discontinued
0.6966	Remote Similarity	NPD5242	Approved
0.6959	Remote Similarity	NPD7871	Phase 2
0.6959	Remote Similarity	NPD7870	Phase 2
0.6957	Remote Similarity	NPD1613	Approved
0.6957	Remote Similarity	NPD1612	Clinical (unspecified phase)
0.6954	Remote Similarity	NPD7874	Approved
0.6954	Remote Similarity	NPD7875	Clinical (unspecified phase)
0.6951	Remote Similarity	NPD5405	Approved
0.6951	Remote Similarity	NPD5408	Approved
0.6951	Remote Similarity	NPD2935	Discontinued
0.6951	Remote Similarity	NPD5404	Approved
0.6951	Remote Similarity	NPD5406	Approved
0.6951	Remote Similarity	NPD1551	Phase 2
0.6947	Remote Similarity	NPD8090	Clinical (unspecified phase)
0.6937	Remote Similarity	NPD6859	Clinical (unspecified phase)
0.6937	Remote Similarity	NPD6798	Discontinued
0.6932	Remote Similarity	NPD919	Approved
0.6927	Remote Similarity	NPD6779	Approved
0.6927	Remote Similarity	NPD6776	Approved
0.6927	Remote Similarity	NPD6781	Approved
0.6927	Remote Similarity	NPD6778	Approved
0.6927	Remote Similarity	NPD6782	Approved
0.6927	Remote Similarity	NPD6780	Approved
0.6927	Remote Similarity	NPD6777	Approved
0.6923	Remote Similarity	NPD2534	Approved
0.6923	Remote Similarity	NPD2533	Approved
0.6923	Remote Similarity	NPD2532	Approved
0.6879	Remote Similarity	NPD6385	Approved
0.6879	Remote Similarity	NPD6386	Approved
0.6872	Remote Similarity	NPD3926	Phase 2
0.686	Remote Similarity	NPD7458	Discontinued
0.6855	Remote Similarity	NPD1530	Clinical (unspecified phase)
0.6854	Remote Similarity	NPD1247	Approved
0.6852	Remote Similarity	NPD1240	Approved
0.6848	Remote Similarity	NPD2796	Approved
0.6824	Remote Similarity	NPD7004	Clinical (unspecified phase)
0.6821	Remote Similarity	NPD7698	Approved
0.6821	Remote Similarity	NPD7697	Approved
0.6821	Remote Similarity	NPD7696	Phase 3
0.6815	Remote Similarity	NPD4379	Clinical (unspecified phase)
0.6813	Remote Similarity	NPD1529	Clinical (unspecified phase)
0.681	Remote Similarity	NPD447	Suspended
0.6788	Remote Similarity	NPD3748	Approved
0.6788	Remote Similarity	NPD1509	Clinical (unspecified phase)
0.678	Remote Similarity	NPD8155	Clinical (unspecified phase)
0.6768	Remote Similarity	NPD7701	Phase 2
0.6768	Remote Similarity	NPD1607	Approved
0.676	Remote Similarity	NPD8127	Discontinued
0.6703	Remote Similarity	NPD7038	Approved
0.6703	Remote Similarity	NPD7039	Approved
0.6686	Remote Similarity	NPD1878	Clinical (unspecified phase)
0.6686	Remote Similarity	NPD7003	Approved
0.6686	Remote Similarity	NPD6398	Clinical (unspecified phase)
0.6684	Remote Similarity	NPD8485	Approved
0.6667	Remote Similarity	NPD7783	Phase 2
0.6667	Remote Similarity	NPD7782	Clinical (unspecified phase)
0.6667	Remote Similarity	NPD5808	Clinical (unspecified phase)
0.6667	Remote Similarity	NPD7801	Approved
0.6667	Remote Similarity	NPD7549	Discontinued
0.6667	Remote Similarity	NPD7095	Approved
0.665	Remote Similarity	NPD7680	Approved
0.6647	Remote Similarity	NPD2354	Approved
0.6647	Remote Similarity	NPD3887	Approved
0.6615	Remote Similarity	NPD7237	Clinical (unspecified phase)
0.6613	Remote Similarity	NPD8368	Discontinued
0.6606	Remote Similarity	NPD6355	Discontinued
0.6596	Remote Similarity	NPD7090	Clinical (unspecified phase)
0.6592	Remote Similarity	NPD6971	Discontinued
0.659	Remote Similarity	NPD6273	Approved
0.6585	Remote Similarity	NPD4062	Phase 3
0.6583	Remote Similarity	NPD7211	Clinical (unspecified phase)
0.6582	Remote Similarity	NPD8486	Clinical (unspecified phase)
0.6577	Remote Similarity	NPD9265	Clinical (unspecified phase)
0.6571	Remote Similarity	NPD3226	Approved
0.657	Remote Similarity	NPD4357	Discontinued
0.6559	Remote Similarity	NPD5953	Discontinued
0.6557	Remote Similarity	NPD7784	Clinical (unspecified phase)
0.6545	Remote Similarity	NPD8360	Approved
0.6545	Remote Similarity	NPD8361	Approved
0.6545	Remote Similarity	NPD8435	Approved
0.6538	Remote Similarity	NPD7229	Phase 3
0.6528	Remote Similarity	NPD6213	Phase 3
0.6528	Remote Similarity	NPD6214	Clinical (unspecified phase)
0.6528	Remote Similarity	NPD6212	Phase 3
0.6527	Remote Similarity	NPD7097	Phase 1
0.6522	Remote Similarity	NPD1203	Approved
0.6516	Remote Similarity	NPD9493	Approved
0.6515	Remote Similarity	NPD6823	Phase 2
0.6512	Remote Similarity	NPD7236	Approved
0.6512	Remote Similarity	NPD7440	Discontinued
0.6508	Remote Similarity	NPD8407	Phase 2
0.6506	Remote Similarity	NPD4340	Discontinued
0.6506	Remote Similarity	NPD1933	Approved
0.6503	Remote Similarity	NPD4908	Phase 1
0.6486	Remote Similarity	NPD7177	Discontinued
0.646	Remote Similarity	NPD3225	Approved
0.6457	Remote Similarity	NPD920	Approved
0.6452	Remote Similarity	NPD7286	Phase 2

Structure

NPC134925 OpenBabel07101718252D 57 61 0 0 1 0 0 0 0 0999 V2000 2.5981 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5981 -3.5000 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 2.5981 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7321 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7321 -0.7321 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 -1.7321 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 -3.0000 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 -4.2321 0.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5981 -4.5000 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 3.4641 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7321 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7321 -0.7321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 1.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8660 -0.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4641 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 -5.0000 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 -6.2321 0.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8660 2.5000 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 1.7321 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2321 0.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2321 1.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 1.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3301 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 5.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -5.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4641 -5.0000 0.0000 O 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 3.4641 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2321 1.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2321 -1.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 4.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 -6.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1962 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2321 0.1340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5981 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7321 -0.7321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 2.7321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2321 1.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7321 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 11 2 0 0 0 0 1 15 1 0 0 0 0 2 11 1 0 0 0 0 2 16 2 0 0 0 0 3 12 2 0 0 0 0 3 17 1 0 0 0 0 4 12 1 0 0 0 0 4 18 2 0 0 0 0 5 13 2 0 0 0 0 5 19 1 0 0 0 0 6 13 1 0 0 0 0 6 20 2 0 0 0 0 7 14 2 0 0 0 0 7 21 1 0 0 0 0 8 14 1 0 0 0 0 8 22 2 0 0 0 0 9 23 1 0 0 0 0 9 35 1 0 0 0 0 10 24 1 0 0 0 0 10 35 1 0 0 0 0 11 30 1 0 0 0 0 12 31 1 0 0 0 0 13 32 1 0 0 0 0 14 33 1 0 0 0 0 15 25 2 0 0 0 0 15 36 1 0 0 0 0 16 25 1 0 0 0 0 16 37 1 0 0 0 0 17 26 2 0 0 0 0 17 38 1 0 0 0 0 18 26 1 0 0 0 0 18 39 1 0 0 0 0 19 27 2 0 0 0 0 19 40 1 0 0 0 0 20 27 1 0 0 0 0 20 41 1 0 0 0 0 21 28 2 0 0 0 0 21 42 1 0 0 0 0 22 28 1 0 0 0 0 22 43 1 0 0 0 0 23 29 1 0 0 0 0 23 54 1 1 0 0 0 24 29 1 0 0 0 0 24 55 1 6 0 0 0 25 44 1 0 0 0 0 26 45 1 0 0 0 0 27 46 1 0 0 0 0 28 47 1 0 0 0 0 29 56 1 1 0 0 0 30 48 2 0 0 0 0 30 54 1 0 0 0 0 31 49 2 0 0 0 0 31 55 1 0 0 0 0 32 50 2 0 0 0 0 32 56 1 0 0 0 0 33 51 2 0 0 0 0 33 57 1 0 0 0 0 34 52 2 0 0 0 0 34 53 1 0 0 0 0 35 34 1 6 0 0 0 35 57 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID
ChEMBL	CHEMBL36985
ZINC

Physicochemical Properties

Molecular Weight:	800.11
ALogP:	-6.0527
MLogP:	2.89
XLogP:	0.451
# Rotatable Bonds:	26
Polar Surface Area:	385.26
# H-Bond Aceptor:	10
# H-Bond Donor:	13
# Rings:	5
# Heavy Atoms:	57

Download Data

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