NPASS Natural Product

Natural Product: NPC474622

Natural Product ID:	NPC474622
Common Name:	Mayoside E
IUPAC Name:	[(3R,4S,5S,6R)-4,5-dihydroxy-6-[[(9R)-4,5,9-trihydroxy-2-methyl-10-oxoanthracen-9-yl]methyl]oxan-3-yl] benzoate
Synonyms:	Mayoside E
Molecular Formula:	C28H26O9
Standard InCHIKey:	DHPCXWBWRWPXDU-VRAYHDTKSA-N
Standard InCHI:	InChI=1S/C28H26O9/c1-14-10-17-23(19(30)11-14)26(33)22-16(8-5-9-18(22)29)28(17,35)12-20-24(31)25(32)21(13-36-20)37-27(34)15-6-3-2-4-7-15/h2-11,20-21,24-25,29-32,35H,12-13H2,1H3/t20-,21-,24-,25-,28-/m1/s1
Canonical SMILES:	Cc1cc(O)c2c(c1)[C@@](O)(C[C@H]1OC[C@H]([C@H]([C@@H]1O)O)OC(=O)c1ccccc1)c1c(C2=O)c(O)ccc1
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
NPO1872	Picramnia latifolia	Species	Picramniaceae	Eukaryota		Peru		PMID[15043409]

Biological Activity

Activity Type	# Activity
ED50	4

Activity Type	# Activity
Cell Line	4

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT83	Cell Line	MCF7	Homo sapiens	ED50	>	5	ug/ml	22779787
NPT858	Cell Line	LNCaP	Homo sapiens	ED50	>	5	ug/ml	16989516
NPT737	Cell Line	HUVEC	Homo sapiens	ED50	>	5	ug/ml	23398362
NPT1034	Cell Line	Lu1	Homo sapiens	ED50	>	5	ug/ml	10.1016/S0261-2194(02)00175-8

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 NPC474622 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	248
0.1-0.2	985
0.2-0.3	1927
0.3-0.4	3893
0.4-0.5	7001
0.5-0.6	5540
0.6-0.7	4622
0.7-0.8	6026
0.8-0.85	558
0.85-0.9	74
0.9-0.95	12
0.95-1	3

Similarity Score	Similarity Level	Natural Product ID
1.0	High Similarity	NPC474621
0.9796	High Similarity	NPC474533
0.9796	High Similarity	NPC474534
0.929	High Similarity	NPC187934
0.929	High Similarity	NPC97637
0.9156	High Similarity	NPC208651
0.9156	High Similarity	NPC206641
0.9128	High Similarity	NPC285122
0.9051	High Similarity	NPC478022
0.9051	High Similarity	NPC478020
0.9026	High Similarity	NPC192219
0.9026	High Similarity	NPC3449
0.9026	High Similarity	NPC82190
0.9026	High Similarity	NPC174599
0.9	High Similarity	NPC147250
0.8968	High Similarity	NPC148323
0.8968	High Similarity	NPC478027
0.8968	High Similarity	NPC283480
0.8933	High Similarity	NPC170055
0.8931	High Similarity	NPC178281
0.8903	High Similarity	NPC266469
0.8867	High Similarity	NPC84568
0.8867	High Similarity	NPC300684
0.8867	High Similarity	NPC218866
0.8867	High Similarity	NPC103910
0.8867	High Similarity	NPC48130
0.8854	High Similarity	NPC53139
0.8839	High Similarity	NPC205172
0.8839	High Similarity	NPC209393
0.8827	High Similarity	NPC478021
0.8816	High Similarity	NPC119767
0.8805	High Similarity	NPC146837
0.8805	High Similarity	NPC278329
0.878	High Similarity	NPC470667
0.8773	High Similarity	NPC183441
0.8773	High Similarity	NPC294501
0.8727	High Similarity	NPC66820
0.8727	High Similarity	NPC92403
0.8727	High Similarity	NPC170018
0.8727	High Similarity	NPC76112
0.8725	High Similarity	NPC225243
0.872	High Similarity	NPC85368
0.872	High Similarity	NPC203751
0.8718	High Similarity	NPC474824
0.8718	High Similarity	NPC470408
0.8718	High Similarity	NPC182921
0.8718	High Similarity	NPC218870
0.8701	High Similarity	NPC280753
0.8701	High Similarity	NPC44378
0.8688	High Similarity	NPC212099
0.8688	High Similarity	NPC101116
0.8675	High Similarity	NPC476473
0.8671	High Similarity	NPC317580
0.8667	High Similarity	NPC186800
0.8662	High Similarity	NPC318270
0.8662	High Similarity	NPC66029
0.8654	High Similarity	NPC478220
0.8645	High Similarity	NPC205766
0.8636	High Similarity	NPC94781
0.8627	High Similarity	NPC120536
0.8616	High Similarity	NPC326084
0.8614	High Similarity	NPC176246
0.8614	High Similarity	NPC102053
0.8614	High Similarity	NPC289876
0.8609	High Similarity	NPC474300
0.8608	High Similarity	NPC474861
0.8598	High Similarity	NPC313304
0.8589	High Similarity	NPC63470
0.8589	High Similarity	NPC107009
0.8581	High Similarity	NPC478219
0.858	High Similarity	NPC478026
0.8562	High Similarity	NPC475449
0.8553	High Similarity	NPC471682
0.8553	High Similarity	NPC21873
0.8553	High Similarity	NPC29552
0.8543	High Similarity	NPC257003
0.8537	High Similarity	NPC175477
0.8533	High Similarity	NPC86744
0.8533	High Similarity	NPC295339
0.8528	High Similarity	NPC178173
0.8528	High Similarity	NPC477835
0.8526	High Similarity	NPC315520
0.8512	High Similarity	NPC114257
0.8512	High Similarity	NPC299149
0.8512	High Similarity	NPC277710
0.8512	High Similarity	NPC58538
0.8512	High Similarity	NPC153578
0.8509	High Similarity	NPC472261
0.8506	High Similarity	NPC314437
0.8494	Intermediate Similarity	NPC472054
0.8494	Intermediate Similarity	NPC65118
0.8491	Intermediate Similarity	NPC478223
0.8491	Intermediate Similarity	NPC471787
0.8487	Intermediate Similarity	NPC257644
0.8485	Intermediate Similarity	NPC241874
0.8481	Intermediate Similarity	NPC478218
0.848	Intermediate Similarity	NPC105591
0.8476	Intermediate Similarity	NPC471295
0.8476	Intermediate Similarity	NPC234497
0.8476	Intermediate Similarity	NPC472058
0.8476	Intermediate Similarity	NPC470341
0.8476	Intermediate Similarity	NPC469521
0.8476	Intermediate Similarity	NPC324522
0.8476	Intermediate Similarity	NPC105414
0.8471	Intermediate Similarity	NPC205918
0.8467	Intermediate Similarity	NPC61590
0.8467	Intermediate Similarity	NPC126739
0.8467	Intermediate Similarity	NPC197666
0.8466	Intermediate Similarity	NPC471788
0.8466	Intermediate Similarity	NPC71390
0.8462	Intermediate Similarity	NPC477860
0.8462	Intermediate Similarity	NPC120171
0.8462	Intermediate Similarity	NPC85316
0.8462	Intermediate Similarity	NPC197357
0.8462	Intermediate Similarity	NPC475161
0.8452	Intermediate Similarity	NPC81835
0.8452	Intermediate Similarity	NPC478018
0.8447	Intermediate Similarity	NPC472055
0.8447	Intermediate Similarity	NPC284495
0.8443	Intermediate Similarity	NPC68381
0.8442	Intermediate Similarity	NPC471683
0.8434	Intermediate Similarity	NPC477836
0.843	Intermediate Similarity	NPC205721
0.8424	Intermediate Similarity	NPC246274
0.8411	Intermediate Similarity	NPC471602
0.8411	Intermediate Similarity	NPC256463
0.8411	Intermediate Similarity	NPC29771
0.8411	Intermediate Similarity	NPC111422
0.8411	Intermediate Similarity	NPC306835
0.8411	Intermediate Similarity	NPC476477
0.8411	Intermediate Similarity	NPC299405
0.8411	Intermediate Similarity	NPC216312
0.8408	Intermediate Similarity	NPC475890
0.8408	Intermediate Similarity	NPC477914
0.8402	Intermediate Similarity	NPC72783
0.84	Intermediate Similarity	NPC245923
0.8397	Intermediate Similarity	NPC106524
0.8397	Intermediate Similarity	NPC290695
0.8395	Intermediate Similarity	NPC478222
0.8393	Intermediate Similarity	NPC312630
0.8393	Intermediate Similarity	NPC475246
0.8393	Intermediate Similarity	NPC324220
0.8387	Intermediate Similarity	NPC470570
0.8387	Intermediate Similarity	NPC300540
0.8385	Intermediate Similarity	NPC314795
0.8385	Intermediate Similarity	NPC324736
0.8385	Intermediate Similarity	NPC470339
0.8383	Intermediate Similarity	NPC199357
0.8383	Intermediate Similarity	NPC154986
0.8375	Intermediate Similarity	NPC313299
0.8373	Intermediate Similarity	NPC298778
0.8373	Intermediate Similarity	NPC470580
0.8366	Intermediate Similarity	NPC469520
0.8366	Intermediate Similarity	NPC85310
0.8364	Intermediate Similarity	NPC473094
0.8363	Intermediate Similarity	NPC292706
0.8363	Intermediate Similarity	NPC224557
0.8355	Intermediate Similarity	NPC315578
0.8355	Intermediate Similarity	NPC220496
0.8355	Intermediate Similarity	NPC42262
0.8355	Intermediate Similarity	NPC37992
0.8355	Intermediate Similarity	NPC241349
0.8355	Intermediate Similarity	NPC32749
0.8355	Intermediate Similarity	NPC147542
0.8355	Intermediate Similarity	NPC327916
0.8354	Intermediate Similarity	NPC329647
0.8354	Intermediate Similarity	NPC470735
0.8354	Intermediate Similarity	NPC39819
0.8353	Intermediate Similarity	NPC315221
0.8353	Intermediate Similarity	NPC208069
0.8344	Intermediate Similarity	NPC216752
0.8344	Intermediate Similarity	NPC315772
0.8344	Intermediate Similarity	NPC473961
0.8344	Intermediate Similarity	NPC478229
0.8343	Intermediate Similarity	NPC477682
0.8343	Intermediate Similarity	NPC477683
0.8333	Intermediate Similarity	NPC162751
0.8333	Intermediate Similarity	NPC223735
0.8333	Intermediate Similarity	NPC307754
0.8333	Intermediate Similarity	NPC130489
0.8333	Intermediate Similarity	NPC294149
0.8333	Intermediate Similarity	NPC3718
0.8333	Intermediate Similarity	NPC70862
0.8333	Intermediate Similarity	NPC208676
0.8333	Intermediate Similarity	NPC52161
0.8333	Intermediate Similarity	NPC474813
0.8323	Intermediate Similarity	NPC472620
0.8323	Intermediate Similarity	NPC34482
0.8323	Intermediate Similarity	NPC473113
0.8323	Intermediate Similarity	NPC30432
0.8323	Intermediate Similarity	NPC315619
0.8323	Intermediate Similarity	NPC76128
0.8323	Intermediate Similarity	NPC271385
0.8323	Intermediate Similarity	NPC67197
0.8323	Intermediate Similarity	NPC5029
0.8323	Intermediate Similarity	NPC472889
0.8323	Intermediate Similarity	NPC111536
0.8322	Intermediate Similarity	NPC287604
0.8322	Intermediate Similarity	NPC161964
0.8322	Intermediate Similarity	NPC472262

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC474622 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	257
0.1-0.2	790
0.2-0.3	1417
0.3-0.4	2361
0.4-0.5	2336
0.5-0.6	1321
0.6-0.7	497
0.7-0.8	161
0.8-0.85	18
0.85-0.9	3
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.8727	High Similarity	NPD8313	Approved
0.8727	High Similarity	NPD8312	Approved
0.8571	High Similarity	NPD8150	Discontinued
0.848	Intermediate Similarity	NPD7879	Clinical (unspecified phase)
0.8278	Intermediate Similarity	NPD5406	Approved
0.8278	Intermediate Similarity	NPD5405	Approved
0.8278	Intermediate Similarity	NPD5408	Approved
0.8278	Intermediate Similarity	NPD5404	Approved
0.8256	Intermediate Similarity	NPD8397	Clinical (unspecified phase)
0.8228	Intermediate Similarity	NPD3226	Approved
0.8224	Intermediate Similarity	NPD2346	Discontinued
0.8171	Intermediate Similarity	NPD6959	Discontinued
0.8121	Intermediate Similarity	NPD6232	Discontinued
0.8113	Intermediate Similarity	NPD5808	Clinical (unspecified phase)
0.8089	Intermediate Similarity	NPD7422	Clinical (unspecified phase)
0.8084	Intermediate Similarity	NPD7473	Discontinued
0.8068	Intermediate Similarity	NPD6534	Approved
0.8068	Intermediate Similarity	NPD6535	Approved
0.8063	Intermediate Similarity	NPD4380	Phase 2
0.8025	Intermediate Similarity	NPD7390	Discontinued
0.8011	Intermediate Similarity	NPD7435	Discontinued
0.7988	Intermediate Similarity	NPD5844	Phase 1
0.7967	Intermediate Similarity	NPD8320	Phase 1
0.7967	Intermediate Similarity	NPD8319	Approved
0.7959	Intermediate Similarity	NPD1470	Approved
0.7953	Intermediate Similarity	NPD6559	Discontinued
0.7944	Intermediate Similarity	NPD6781	Approved
0.7944	Intermediate Similarity	NPD6777	Approved
0.7944	Intermediate Similarity	NPD6782	Approved
0.7944	Intermediate Similarity	NPD6779	Approved
0.7944	Intermediate Similarity	NPD6780	Approved
0.7944	Intermediate Similarity	NPD6778	Approved
0.7944	Intermediate Similarity	NPD6776	Approved
0.7933	Intermediate Similarity	NPD7700	Phase 2
0.7933	Intermediate Similarity	NPD7699	Phase 2
0.7914	Intermediate Similarity	NPD7819	Suspended
0.791	Intermediate Similarity	NPD6213	Phase 3
0.791	Intermediate Similarity	NPD6214	Clinical (unspecified phase)
0.791	Intermediate Similarity	NPD6212	Phase 3
0.7879	Intermediate Similarity	NPD7075	Discontinued
0.7866	Intermediate Similarity	NPD5402	Approved
0.7857	Intermediate Similarity	NPD6823	Phase 2
0.7834	Intermediate Similarity	NPD7003	Approved
0.7818	Intermediate Similarity	NPD4868	Clinical (unspecified phase)
0.7815	Intermediate Similarity	NPD3764	Approved
0.7811	Intermediate Similarity	NPD6167	Clinical (unspecified phase)
0.7811	Intermediate Similarity	NPD6168	Clinical (unspecified phase)
0.7811	Intermediate Similarity	NPD6166	Phase 2
0.7811	Intermediate Similarity	NPD7852	Clinical (unspecified phase)
0.7808	Intermediate Similarity	NPD1201	Approved
0.7806	Intermediate Similarity	NPD2935	Discontinued
0.7791	Intermediate Similarity	NPD7411	Suspended
0.7772	Intermediate Similarity	NPD7870	Phase 2
0.7772	Intermediate Similarity	NPD7871	Phase 2
0.7754	Intermediate Similarity	NPD7875	Clinical (unspecified phase)
0.7754	Intermediate Similarity	NPD7874	Approved
0.7742	Intermediate Similarity	NPD1509	Clinical (unspecified phase)
0.7717	Intermediate Similarity	NPD7696	Phase 3
0.7717	Intermediate Similarity	NPD7697	Approved
0.7717	Intermediate Similarity	NPD7698	Approved
0.7711	Intermediate Similarity	NPD7768	Phase 2
0.7701	Intermediate Similarity	NPD8151	Discontinued
0.7697	Intermediate Similarity	NPD2393	Clinical (unspecified phase)
0.7697	Intermediate Similarity	NPD7096	Clinical (unspecified phase)
0.7688	Intermediate Similarity	NPD7993	Clinical (unspecified phase)
0.7669	Intermediate Similarity	NPD7458	Discontinued
0.7665	Intermediate Similarity	NPD4381	Clinical (unspecified phase)
0.7654	Intermediate Similarity	NPD5403	Approved
0.7651	Intermediate Similarity	NPD8443	Clinical (unspecified phase)
0.7647	Intermediate Similarity	NPD7701	Phase 2
0.764	Intermediate Similarity	NPD2533	Approved
0.764	Intermediate Similarity	NPD2532	Approved
0.764	Intermediate Similarity	NPD2534	Approved
0.7636	Intermediate Similarity	NPD6801	Discontinued
0.761	Intermediate Similarity	NPD8166	Discontinued
0.761	Intermediate Similarity	NPD4628	Phase 3
0.759	Intermediate Similarity	NPD8455	Phase 2
0.7582	Intermediate Similarity	NPD2313	Discontinued
0.7572	Intermediate Similarity	NPD7804	Clinical (unspecified phase)
0.7562	Intermediate Similarity	NPD6190	Approved
0.756	Intermediate Similarity	NPD3749	Approved
0.7547	Intermediate Similarity	NPD7421	Clinical (unspecified phase)
0.7531	Intermediate Similarity	NPD7410	Clinical (unspecified phase)
0.7531	Intermediate Similarity	NPD7004	Clinical (unspecified phase)
0.7531	Intermediate Similarity	NPD5401	Approved
0.753	Intermediate Similarity	NPD1934	Approved
0.7529	Intermediate Similarity	NPD7074	Phase 3
0.7526	Intermediate Similarity	NPD7801	Approved
0.7526	Intermediate Similarity	NPD7782	Clinical (unspecified phase)
0.7526	Intermediate Similarity	NPD7783	Phase 2
0.7516	Intermediate Similarity	NPD2799	Discontinued
0.7516	Intermediate Similarity	NPD7008	Discontinued
0.7516	Intermediate Similarity	NPD5952	Clinical (unspecified phase)
0.7485	Intermediate Similarity	NPD6273	Approved
0.7472	Intermediate Similarity	NPD8055	Clinical (unspecified phase)
0.7471	Intermediate Similarity	NPD7054	Approved
0.7449	Intermediate Similarity	NPD8155	Clinical (unspecified phase)
0.7447	Intermediate Similarity	NPD7211	Clinical (unspecified phase)
0.7429	Intermediate Similarity	NPD7472	Approved
0.7414	Intermediate Similarity	NPD7228	Approved
0.7414	Intermediate Similarity	NPD7177	Discontinued
0.7414	Intermediate Similarity	NPD3818	Discontinued
0.7414	Intermediate Similarity	NPD3751	Discontinued
0.741	Intermediate Similarity	NPD6599	Discontinued
0.7401	Intermediate Similarity	NPD4338	Clinical (unspecified phase)
0.7391	Intermediate Similarity	NPD3750	Approved
0.7386	Intermediate Similarity	NPD6797	Phase 2
0.7384	Intermediate Similarity	NPD3787	Discontinued
0.7368	Intermediate Similarity	NPD5494	Approved
0.7358	Intermediate Similarity	NPD1551	Phase 2
0.7345	Intermediate Similarity	NPD7251	Discontinued
0.7337	Intermediate Similarity	NPD3817	Phase 2
0.7333	Intermediate Similarity	NPD8434	Phase 2
0.7321	Intermediate Similarity	NPD37	Approved
0.7317	Intermediate Similarity	NPD4378	Clinical (unspecified phase)
0.7312	Intermediate Similarity	NPD8285	Discontinued
0.7312	Intermediate Similarity	NPD7266	Discontinued
0.731	Intermediate Similarity	NPD6234	Discontinued
0.7303	Intermediate Similarity	NPD7808	Phase 3
0.7301	Intermediate Similarity	NPD3300	Phase 2
0.7294	Intermediate Similarity	NPD4966	Approved
0.7294	Intermediate Similarity	NPD4967	Phase 2
0.7294	Intermediate Similarity	NPD4965	Approved
0.7284	Intermediate Similarity	NPD6398	Clinical (unspecified phase)
0.7284	Intermediate Similarity	NPD1878	Clinical (unspecified phase)
0.7279	Intermediate Similarity	NPD9493	Approved
0.7278	Intermediate Similarity	NPD1465	Phase 2
0.7278	Intermediate Similarity	NPD2801	Approved
0.7267	Intermediate Similarity	NPD970	Clinical (unspecified phase)
0.7267	Intermediate Similarity	NPD1549	Phase 2
0.7256	Intermediate Similarity	NPD6799	Approved
0.725	Intermediate Similarity	NPD2438	Suspended
0.7226	Intermediate Similarity	NPD6832	Phase 2
0.7225	Intermediate Similarity	NPD8127	Discontinued
0.7215	Intermediate Similarity	NPD447	Suspended
0.7208	Intermediate Similarity	NPD2798	Approved
0.7205	Intermediate Similarity	NPD1550	Clinical (unspecified phase)
0.7205	Intermediate Similarity	NPD1552	Clinical (unspecified phase)
0.7205	Intermediate Similarity	NPD2343	Clinical (unspecified phase)
0.7193	Intermediate Similarity	NPD3882	Suspended
0.7188	Intermediate Similarity	NPD1510	Phase 2
0.7188	Intermediate Similarity	NPD4308	Phase 3
0.7184	Intermediate Similarity	NPD5711	Approved
0.7184	Intermediate Similarity	NPD5710	Approved
0.717	Intermediate Similarity	NPD1607	Approved
0.7162	Intermediate Similarity	NPD405	Clinical (unspecified phase)
0.7152	Intermediate Similarity	NPD943	Approved
0.7152	Intermediate Similarity	NPD4060	Phase 1
0.7151	Intermediate Similarity	NPD7685	Pre-registration
0.7143	Intermediate Similarity	NPD1164	Approved
0.7143	Intermediate Similarity	NPD1203	Approved
0.7134	Intermediate Similarity	NPD6798	Discontinued
0.7125	Intermediate Similarity	NPD7097	Phase 1
0.7118	Intermediate Similarity	NPD6844	Discontinued
0.7107	Intermediate Similarity	NPD1899	Clinical (unspecified phase)
0.7107	Intermediate Similarity	NPD230	Phase 1
0.7105	Intermediate Similarity	NPD1547	Clinical (unspecified phase)
0.7091	Intermediate Similarity	NPD7236	Approved
0.7083	Intermediate Similarity	NPD7239	Suspended
0.7081	Intermediate Similarity	NPD3748	Approved
0.7081	Intermediate Similarity	NPD7033	Discontinued
0.7078	Intermediate Similarity	NPD1283	Approved
0.7056	Intermediate Similarity	NPD7240	Approved
0.7048	Intermediate Similarity	NPD1511	Approved
0.7044	Intermediate Similarity	NPD1240	Approved
0.7044	Intermediate Similarity	NPD2979	Phase 3
0.7037	Intermediate Similarity	NPD2796	Approved
0.7027	Intermediate Similarity	NPD5951	Approved
0.7025	Intermediate Similarity	NPD1699	Clinical (unspecified phase)
0.7025	Intermediate Similarity	NPD411	Approved
0.7022	Intermediate Similarity	NPD7799	Discontinued
0.7021	Intermediate Similarity	NPD8090	Clinical (unspecified phase)
0.7017	Intermediate Similarity	NPD4955	Approved
0.7017	Intermediate Similarity	NPD4954	Approved
0.7017	Intermediate Similarity	NPD36	Approved
0.7017	Intermediate Similarity	NPD5026	Approved
0.7017	Intermediate Similarity	NPD5028	Approved
0.7017	Intermediate Similarity	NPD5034	Approved
0.7012	Intermediate Similarity	NPD5698	Clinical (unspecified phase)
0.701	Intermediate Similarity	NPD8058	Clinical (unspecified phase)
0.701	Intermediate Similarity	NPD8059	Phase 3
0.7	Intermediate Similarity	NPD1933	Approved
0.6994	Remote Similarity	NPD2344	Approved
0.6994	Remote Similarity	NPD5762	Approved
0.6994	Remote Similarity	NPD5763	Approved
0.6981	Remote Similarity	NPD6233	Phase 2
0.6981	Remote Similarity	NPD6663	Approved
0.6975	Remote Similarity	NPD651	Clinical (unspecified phase)
0.6974	Remote Similarity	NPD5126	Approved
0.6974	Remote Similarity	NPD4626	Approved
0.6974	Remote Similarity	NPD5125	Phase 3
0.6974	Remote Similarity	NPD7163	Clinical (unspecified phase)
0.6964	Remote Similarity	NPD1512	Approved
0.6962	Remote Similarity	NPD4625	Phase 3
0.6961	Remote Similarity	NPD5030	Phase 2
0.6957	Remote Similarity	NPD5037	Approved
0.6957	Remote Similarity	NPD5038	Approved
0.6954	Remote Similarity	NPD9545	Approved
0.6948	Remote Similarity	NPD9717	Approved
0.6946	Remote Similarity	NPD6143	Clinical (unspecified phase)

Structure

NPC474622 OpenBabel07101718282D 37 41 0 0 1 0 0 0 0 0999 V2000 4.7321 -1.2679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5000 4.3301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 3.4641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 4.3301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1340 4.2321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0000 3.4641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1340 3.2321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 4.7321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 0.2321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 0.2321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 1.7321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7321 -0.2679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 2.7321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 1.2321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 4.2321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 1.2321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 0.8660 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.5000 0.8660 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8660 3.2321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7321 1.7321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 -0.0000 0.0000 C 0 0 2 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 4.7321 2.7321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0000 1.7321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 1.7321 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7321 4.7321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4641 1.7321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 -0.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5000 -0.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 3.2321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0000 1.7321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.7321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 1.7321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 0.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 3 6 1 0 0 0 0 4 7 2 0 0 0 0 5 8 2 0 0 0 0 5 9 1 0 0 0 0 6 15 2 0 0 0 0 7 15 1 0 0 0 0 8 16 1 0 0 0 0 9 18 2 0 0 0 0 10 14 2 0 0 0 0 10 17 1 0 0 0 0 11 14 1 0 0 0 0 11 19 2 0 0 0 0 12 28 1 0 0 0 0 13 21 1 0 0 0 0 13 36 1 0 0 0 0 15 27 1 0 0 0 0 16 22 2 0 0 0 0 16 28 1 0 0 0 0 17 23 2 0 0 0 0 17 28 1 0 0 0 0 18 22 1 0 0 0 0 18 29 1 0 0 0 0 19 23 1 0 0 0 0 19 30 1 0 0 0 0 20 12 1 6 0 0 0 20 24 1 0 0 0 0 20 36 1 0 0 0 0 21 25 1 0 0 0 0 21 37 1 6 0 0 0 22 26 1 0 0 0 0 23 26 1 0 0 0 0 24 25 1 0 0 0 0 24 31 1 1 0 0 0 25 32 1 6 0 0 0 26 33 2 0 0 0 0 27 34 2 0 0 0 0 27 37 1 0 0 0 0 28 35 1 6 0 0 0 M END $$$$

External Identifiers

PubChem CID	44575612
ChEMBL	CHEMBL477330
ZINC

Physicochemical Properties

Molecular Weight:	506.16
ALogP:	-2.3878
MLogP:	3.55
XLogP:	3.192
# Rotatable Bonds:	11
Polar Surface Area:	153.75
# H-Bond Aceptor:	7
# H-Bond Donor:	5
# Rings:	5
# Heavy Atoms:	37

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