NPASS Natural Product

Natural Product: NPC269668

Natural Product ID:	NPC269668
Common Name:	n.a.
IUPAC Name:
Synonyms:
Molecular Formula:	C55H80O19
Standard InCHIKey:	RURPONOVSASOTO-SKMUELRGSA-N
Standard InCHI:	InChI=1S/C55H80O19/c1-27(2)20-30-21-53(7,65)46-31-13-14-36-51(5)18-17-37(50(3,4)35(51)16-19-52(36,6)54(31)25-55(46,74-30)67-26-54)70-48-45(73-47-42(64)40(62)34(23-57)68-47)43(32(59)24-66-48)72-49-44(41(63)39(61)33(22-56)69-49)71-38(60)15-10-28-8-11-29(58)12-9-28/h8-12,15,20,30-37,39-49,56-59,61-65H,13-14,16-19,21-26H2,1-7H3/b15-10+/t30-,31+,32-,33+,34-,35-,36+,37-,39+,40-,41-,42+,43-,44+,45+,46-,47-,48-,49-,51-,52+,53-,54-,55-/m0/s1
Canonical SMILES:	OC[C@@H]1O[C@H]([C@@H]([C@H]1O)O)O[C@H]1[C@@H](OC[C@@H]([C@@H]1O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1OC(=O)/C=C/c1ccc(cc1)O)O)O)O)O[C@H]1CC[C@]2([C@H](C1(C)C)CC[C@@]1([C@@H]2CC[C@H]2[C@@]31CO[C@]1(C3)[C@@H]2[C@@](C)(O)C[C@@H](O1)C=C(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
NPO18280	Colubrina retusa	Species	Rhamnaceae	Eukaryota				PMID[10346942]

Biological Activity

Activity Type	# Activity
MIC	3

Activity Type	# Activity
Organism	3

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT85	Organism	Filobasidiella neoformans	Cryptococcus neoformans	MIC	=	50	ug/ml	11720520
NPT87	Organism	Aspergillus fumigatus	Aspergillus fumigatus	MIC	=	50	ug/ml	11720520
NPT20	Organism	Candida albicans	Candida albicans	MIC	=	50	ug/ml	11720520

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 NPC269668 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	272
0.1-0.2	1015
0.2-0.3	2068
0.3-0.4	3605
0.4-0.5	6496
0.5-0.6	7947
0.6-0.7	7705
0.7-0.8	1639
0.8-0.85	134
0.85-0.9	8
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Natural Product ID
0.8896	High Similarity	NPC286809
0.8882	High Similarity	NPC96447
0.8846	High Similarity	NPC77310
0.8693	High Similarity	NPC204644
0.869	High Similarity	NPC475613
0.8645	High Similarity	NPC320734
0.8618	High Similarity	NPC164743
0.8512	High Similarity	NPC477617
0.8497	Intermediate Similarity	NPC470617
0.8497	Intermediate Similarity	NPC470616
0.8485	Intermediate Similarity	NPC471861
0.8471	Intermediate Similarity	NPC474564
0.8431	Intermediate Similarity	NPC116742
0.8431	Intermediate Similarity	NPC139243
0.8418	Intermediate Similarity	NPC476092
0.8418	Intermediate Similarity	NPC70236
0.8418	Intermediate Similarity	NPC475447
0.8418	Intermediate Similarity	NPC475218
0.8408	Intermediate Similarity	NPC229505
0.8397	Intermediate Similarity	NPC184464
0.8397	Intermediate Similarity	NPC251062
0.8395	Intermediate Similarity	NPC476784
0.8385	Intermediate Similarity	NPC471874
0.8355	Intermediate Similarity	NPC263829
0.8294	Intermediate Similarity	NPC13989
0.8289	Intermediate Similarity	NPC11266
0.828	Intermediate Similarity	NPC26045
0.828	Intermediate Similarity	NPC141455
0.828	Intermediate Similarity	NPC196063
0.828	Intermediate Similarity	NPC300894
0.828	Intermediate Similarity	NPC296954
0.8274	Intermediate Similarity	NPC149002
0.8274	Intermediate Similarity	NPC88176
0.8274	Intermediate Similarity	NPC469396
0.8274	Intermediate Similarity	NPC469458
0.8274	Intermediate Similarity	NPC469459
0.8246	Intermediate Similarity	NPC473467
0.8246	Intermediate Similarity	NPC475197
0.8225	Intermediate Similarity	NPC208818
0.8217	Intermediate Similarity	NPC310621
0.8217	Intermediate Similarity	NPC264632
0.8217	Intermediate Similarity	NPC205864
0.8217	Intermediate Similarity	NPC298257
0.8217	Intermediate Similarity	NPC105005
0.8217	Intermediate Similarity	NPC476397
0.8217	Intermediate Similarity	NPC476375
0.8217	Intermediate Similarity	NPC76406
0.8217	Intermediate Similarity	NPC186296
0.8217	Intermediate Similarity	NPC247032
0.8217	Intermediate Similarity	NPC476380
0.8217	Intermediate Similarity	NPC269141
0.8217	Intermediate Similarity	NPC40305
0.8217	Intermediate Similarity	NPC476378
0.8217	Intermediate Similarity	NPC175214
0.8217	Intermediate Similarity	NPC235557
0.8217	Intermediate Similarity	NPC119537
0.8217	Intermediate Similarity	NPC112
0.8217	Intermediate Similarity	NPC252133
0.8217	Intermediate Similarity	NPC476381
0.8217	Intermediate Similarity	NPC96795
0.8217	Intermediate Similarity	NPC476384
0.8205	Intermediate Similarity	NPC473755
0.8205	Intermediate Similarity	NPC154262
0.8205	Intermediate Similarity	NPC159387
0.8205	Intermediate Similarity	NPC7518
0.8205	Intermediate Similarity	NPC475513
0.8205	Intermediate Similarity	NPC137501
0.8204	Intermediate Similarity	NPC473468
0.8204	Intermediate Similarity	NPC471850
0.8204	Intermediate Similarity	NPC475567
0.8204	Intermediate Similarity	NPC473557
0.8199	Intermediate Similarity	NPC35097
0.8194	Intermediate Similarity	NPC49597
0.8187	Intermediate Similarity	NPC469773
0.8187	Intermediate Similarity	NPC469772
0.8187	Intermediate Similarity	NPC100925
0.8187	Intermediate Similarity	NPC32723
0.8187	Intermediate Similarity	NPC469777
0.8187	Intermediate Similarity	NPC469775
0.8187	Intermediate Similarity	NPC469774
0.8187	Intermediate Similarity	NPC469778
0.8187	Intermediate Similarity	NPC135334
0.8187	Intermediate Similarity	NPC469776
0.8187	Intermediate Similarity	NPC95990
0.8187	Intermediate Similarity	NPC295941
0.8176	Intermediate Similarity	NPC37838
0.8165	Intermediate Similarity	NPC64195
0.8155	Intermediate Similarity	NPC475175
0.8155	Intermediate Similarity	NPC475531
0.8155	Intermediate Similarity	NPC475198
0.8153	Intermediate Similarity	NPC35212
0.8148	Intermediate Similarity	NPC472657
0.8148	Intermediate Similarity	NPC472658
0.8144	Intermediate Similarity	NPC117943
0.8144	Intermediate Similarity	NPC471858
0.8144	Intermediate Similarity	NPC7191
0.8144	Intermediate Similarity	NPC293568
0.8144	Intermediate Similarity	NPC149873
0.814	Intermediate Similarity	NPC195972
0.8125	Intermediate Similarity	NPC470330
0.8118	Intermediate Similarity	NPC471860
0.8105	Intermediate Similarity	NPC28637
0.8101	Intermediate Similarity	NPC471139
0.8092	Intermediate Similarity	NPC235294
0.8092	Intermediate Similarity	NPC46137
0.8092	Intermediate Similarity	NPC478255
0.8089	Intermediate Similarity	NPC47471
0.8089	Intermediate Similarity	NPC46644
0.8089	Intermediate Similarity	NPC476377
0.8089	Intermediate Similarity	NPC473612
0.8086	Intermediate Similarity	NPC117346
0.8086	Intermediate Similarity	NPC240592
0.8081	Intermediate Similarity	NPC148185
0.8079	Intermediate Similarity	NPC299855
0.8079	Intermediate Similarity	NPC96194
0.8075	Intermediate Similarity	NPC475561
0.8075	Intermediate Similarity	NPC475417
0.8075	Intermediate Similarity	NPC120728
0.8072	Intermediate Similarity	NPC471878
0.807	Intermediate Similarity	NPC471870
0.8068	Intermediate Similarity	NPC473205
0.8068	Intermediate Similarity	NPC473776
0.8059	Intermediate Similarity	NPC469419
0.8059	Intermediate Similarity	NPC477488
0.8056	Intermediate Similarity	NPC475299
0.805	Intermediate Similarity	NPC296659
0.805	Intermediate Similarity	NPC202391
0.8049	Intermediate Similarity	NPC257847
0.8038	Intermediate Similarity	NPC265648
0.8038	Intermediate Similarity	NPC222433
0.8034	Intermediate Similarity	NPC189704
0.8025	Intermediate Similarity	NPC473799
0.8025	Intermediate Similarity	NPC478123
0.8025	Intermediate Similarity	NPC475530
0.8025	Intermediate Similarity	NPC96599
0.8013	Intermediate Similarity	NPC476376
0.8012	Intermediate Similarity	NPC477623
0.8012	Intermediate Similarity	NPC471859
0.8012	Intermediate Similarity	NPC10945
0.8012	Intermediate Similarity	NPC11411
0.8012	Intermediate Similarity	NPC478248
0.8	Intermediate Similarity	NPC265600
0.7989	Intermediate Similarity	NPC475244
0.7989	Intermediate Similarity	NPC475121
0.7989	Intermediate Similarity	NPC476067
0.7988	Intermediate Similarity	NPC477491
0.7988	Intermediate Similarity	NPC478268
0.7988	Intermediate Similarity	NPC471873
0.7987	Intermediate Similarity	NPC88754
0.7987	Intermediate Similarity	NPC263397
0.7987	Intermediate Similarity	NPC237872
0.7987	Intermediate Similarity	NPC302286
0.7987	Intermediate Similarity	NPC293154
0.7987	Intermediate Similarity	NPC116104
0.7976	Intermediate Similarity	NPC130489
0.7976	Intermediate Similarity	NPC208676
0.7976	Intermediate Similarity	NPC478265
0.7975	Intermediate Similarity	NPC188393
0.7975	Intermediate Similarity	NPC267469
0.7975	Intermediate Similarity	NPC162569
0.7975	Intermediate Similarity	NPC208785
0.7975	Intermediate Similarity	NPC116292
0.7975	Intermediate Similarity	NPC470934
0.7975	Intermediate Similarity	NPC145527
0.7975	Intermediate Similarity	NPC134405
0.7975	Intermediate Similarity	NPC470618
0.7975	Intermediate Similarity	NPC476385
0.7975	Intermediate Similarity	NPC35160
0.7975	Intermediate Similarity	NPC87630
0.7975	Intermediate Similarity	NPC179128
0.7975	Intermediate Similarity	NPC470619
0.7974	Intermediate Similarity	NPC138777
0.7974	Intermediate Similarity	NPC246869
0.7974	Intermediate Similarity	NPC225384
0.7962	Intermediate Similarity	NPC68092
0.7962	Intermediate Similarity	NPC321184
0.7962	Intermediate Similarity	NPC328273
0.7962	Intermediate Similarity	NPC197316
0.7962	Intermediate Similarity	NPC476383
0.7962	Intermediate Similarity	NPC64141
0.7962	Intermediate Similarity	NPC472350
0.7962	Intermediate Similarity	NPC205195
0.7962	Intermediate Similarity	NPC81515
0.7962	Intermediate Similarity	NPC171134
0.7962	Intermediate Similarity	NPC89105
0.7962	Intermediate Similarity	NPC234548
0.7962	Intermediate Similarity	NPC248287
0.7962	Intermediate Similarity	NPC321638
0.7961	Intermediate Similarity	NPC288290
0.7955	Intermediate Similarity	NPC195114
0.7953	Intermediate Similarity	NPC59516
0.7949	Intermediate Similarity	NPC154485
0.7949	Intermediate Similarity	NPC471872
0.7947	Intermediate Similarity	NPC45224
0.7947	Intermediate Similarity	NPC35288
0.7947	Intermediate Similarity	NPC103533
0.7947	Intermediate Similarity	NPC106677
0.7947	Intermediate Similarity	NPC156692
0.7947	Intermediate Similarity	NPC471882
0.7947	Intermediate Similarity	NPC173150

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC269668 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	261
0.1-0.2	783
0.2-0.3	1611
0.3-0.4	2837
0.4-0.5	2179
0.5-0.6	1157
0.6-0.7	289
0.7-0.8	44
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
0.7962	Intermediate Similarity	NPD7266	Discontinued
0.7701	Intermediate Similarity	NPD7228	Approved
0.7556	Intermediate Similarity	NPD8055	Clinical (unspecified phase)
0.75	Intermediate Similarity	NPD7799	Discontinued
0.7471	Intermediate Similarity	NPD8455	Phase 2
0.7444	Intermediate Similarity	NPD8313	Approved
0.7444	Intermediate Similarity	NPD8312	Approved
0.743	Intermediate Similarity	NPD7685	Pre-registration
0.743	Intermediate Similarity	NPD7240	Approved
0.7414	Intermediate Similarity	NPD8127	Discontinued
0.7378	Intermediate Similarity	NPD8166	Discontinued
0.7372	Intermediate Similarity	NPD5736	Approved
0.7355	Intermediate Similarity	NPD3094	Phase 2
0.7299	Intermediate Similarity	NPD6234	Discontinued
0.7296	Intermediate Similarity	NPD6663	Approved
0.7283	Intermediate Similarity	NPD4965	Approved
0.7283	Intermediate Similarity	NPD4967	Phase 2
0.7283	Intermediate Similarity	NPD4966	Approved
0.7208	Intermediate Similarity	NPD3092	Approved
0.7195	Intermediate Similarity	NPD5762	Approved
0.7195	Intermediate Similarity	NPD5763	Approved
0.7171	Intermediate Similarity	NPD8377	Approved
0.7171	Intermediate Similarity	NPD8294	Approved
0.7166	Intermediate Similarity	NPD7879	Clinical (unspecified phase)
0.7143	Intermediate Similarity	NPD4140	Approved
0.7124	Intermediate Similarity	NPD8296	Approved
0.7124	Intermediate Similarity	NPD8033	Approved
0.7124	Intermediate Similarity	NPD8378	Approved
0.7124	Intermediate Similarity	NPD8380	Approved
0.7124	Intermediate Similarity	NPD8335	Approved
0.7124	Intermediate Similarity	NPD8379	Approved
0.7117	Intermediate Similarity	NPD7097	Phase 1
0.711	Intermediate Similarity	NPD37	Approved
0.7099	Intermediate Similarity	NPD5735	Approved
0.7093	Intermediate Similarity	NPD7028	Phase 2
0.7062	Intermediate Similarity	NPD7680	Approved
0.7059	Intermediate Similarity	NPD6273	Approved
0.7059	Intermediate Similarity	NPD3091	Approved
0.7035	Intermediate Similarity	NPD7458	Discontinued
0.7026	Intermediate Similarity	NPD8320	Phase 1
0.7026	Intermediate Similarity	NPD8319	Approved
0.7022	Intermediate Similarity	NPD7199	Phase 2
0.7013	Intermediate Similarity	NPD7503	Approved
0.7006	Intermediate Similarity	NPD6674	Discontinued
0.6982	Remote Similarity	NPD7236	Approved
0.6948	Remote Similarity	NPD7741	Discontinued
0.6943	Remote Similarity	NPD7237	Clinical (unspecified phase)
0.6933	Remote Similarity	NPD3619	Clinical (unspecified phase)
0.6933	Remote Similarity	NPD3620	Phase 2
0.6888	Remote Similarity	NPD7497	Discontinued
0.6885	Remote Similarity	NPD7804	Clinical (unspecified phase)
0.6879	Remote Similarity	NPD1653	Approved
0.6879	Remote Similarity	NPD7239	Suspended
0.6865	Remote Similarity	NPD6559	Discontinued
0.6859	Remote Similarity	NPD3095	Discontinued
0.6859	Remote Similarity	NPD5125	Phase 3
0.6859	Remote Similarity	NPD5126	Approved
0.6851	Remote Similarity	NPD7184	Clinical (unspecified phase)
0.6848	Remote Similarity	NPD6353	Approved
0.6848	Remote Similarity	NPD7074	Phase 3
0.6824	Remote Similarity	NPD6190	Approved
0.6818	Remote Similarity	NPD7327	Approved
0.6818	Remote Similarity	NPD7328	Approved
0.6804	Remote Similarity	NPD7699	Phase 2
0.6804	Remote Similarity	NPD7700	Phase 2
0.6793	Remote Similarity	NPD8470	Clinical (unspecified phase)
0.6789	Remote Similarity	NPD8397	Clinical (unspecified phase)
0.678	Remote Similarity	NPD5760	Phase 2
0.678	Remote Similarity	NPD5761	Phase 2
0.6774	Remote Similarity	NPD7516	Approved
0.6772	Remote Similarity	NPD8434	Phase 2
0.6772	Remote Similarity	NPD8150	Discontinued
0.6765	Remote Similarity	NPD4628	Phase 3
0.676	Remote Similarity	NPD4381	Clinical (unspecified phase)
0.6757	Remote Similarity	NPD7472	Approved
0.6752	Remote Similarity	NPD4059	Approved
0.6744	Remote Similarity	NPD6143	Clinical (unspecified phase)
0.6738	Remote Similarity	NPD7808	Phase 3
0.6717	Remote Similarity	NPD7435	Discontinued
0.6716	Remote Similarity	NPD8151	Discontinued
0.6707	Remote Similarity	NPD3764	Approved
0.6705	Remote Similarity	NPD7004	Clinical (unspecified phase)
0.6703	Remote Similarity	NPD7054	Approved
0.6687	Remote Similarity	NPD5327	Phase 3
0.6686	Remote Similarity	NPD6002	Phase 3
0.6686	Remote Similarity	NPD6003	Clinical (unspecified phase)
0.6686	Remote Similarity	NPD6006	Clinical (unspecified phase)
0.6686	Remote Similarity	NPD6005	Phase 3
0.6686	Remote Similarity	NPD6004	Phase 3
0.6684	Remote Similarity	NPD7251	Discontinued
0.6667	Remote Similarity	NPD4624	Approved
0.6667	Remote Similarity	NPD6007	Clinical (unspecified phase)
0.6667	Remote Similarity	NPD6398	Clinical (unspecified phase)
0.665	Remote Similarity	NPD7783	Phase 2
0.665	Remote Similarity	NPD7782	Clinical (unspecified phase)
0.6649	Remote Similarity	NPD6534	Approved
0.6649	Remote Similarity	NPD6535	Approved
0.6647	Remote Similarity	NPD6653	Approved
0.6646	Remote Similarity	NPD5952	Clinical (unspecified phase)
0.6633	Remote Similarity	NPD7698	Approved
0.6633	Remote Similarity	NPD7697	Approved
0.6633	Remote Similarity	NPD7696	Phase 3
0.6631	Remote Similarity	NPD7993	Clinical (unspecified phase)
0.6631	Remote Similarity	NPD6797	Phase 2
0.6627	Remote Similarity	NPD4060	Phase 1
0.6627	Remote Similarity	NPD7966	Clinical (unspecified phase)
0.6626	Remote Similarity	NPD2861	Phase 2
0.6609	Remote Similarity	NPD4160	Clinical (unspecified phase)
0.6607	Remote Similarity	NPD4978	Clinical (unspecified phase)
0.6601	Remote Similarity	NPD7874	Approved
0.6601	Remote Similarity	NPD7875	Clinical (unspecified phase)
0.6596	Remote Similarity	NPD6765	Approved
0.6596	Remote Similarity	NPD6764	Approved
0.659	Remote Similarity	NPD5058	Phase 3
0.6587	Remote Similarity	NPD5123	Clinical (unspecified phase)
0.6587	Remote Similarity	NPD5124	Phase 1
0.6584	Remote Similarity	NPD7701	Phase 2
0.6583	Remote Similarity	NPD6823	Phase 2
0.657	Remote Similarity	NPD7003	Approved
0.6566	Remote Similarity	NPD6781	Approved
0.6566	Remote Similarity	NPD6777	Approved
0.6566	Remote Similarity	NPD6779	Approved
0.6566	Remote Similarity	NPD6776	Approved
0.6566	Remote Similarity	NPD6778	Approved
0.6566	Remote Similarity	NPD6780	Approved
0.6566	Remote Similarity	NPD6782	Approved
0.6562	Remote Similarity	NPD1091	Approved
0.6559	Remote Similarity	NPD3818	Discontinued
0.6553	Remote Similarity	NPD7930	Approved
0.6545	Remote Similarity	NPD7095	Approved
0.6541	Remote Similarity	NPD3019	Approved
0.6524	Remote Similarity	NPD5844	Phase 1
0.6522	Remote Similarity	NPD7507	Approved
0.6519	Remote Similarity	NPD7058	Phase 2
0.6519	Remote Similarity	NPD4868	Clinical (unspecified phase)
0.6519	Remote Similarity	NPD7057	Phase 3
0.6517	Remote Similarity	NPD7871	Phase 2
0.6517	Remote Similarity	NPD7870	Phase 2
0.6517	Remote Similarity	NPD4380	Phase 2
0.6506	Remote Similarity	NPD6410	Clinical (unspecified phase)
0.6506	Remote Similarity	NPD4907	Clinical (unspecified phase)
0.6492	Remote Similarity	NPD7090	Clinical (unspecified phase)
0.6492	Remote Similarity	NPD8407	Phase 2
0.6488	Remote Similarity	NPD7801	Approved
0.6488	Remote Similarity	NPD6355	Discontinued
0.6485	Remote Similarity	NPD7999	Approved
0.6485	Remote Similarity	NPD4908	Phase 1
0.6484	Remote Similarity	NPD7075	Discontinued
0.6477	Remote Similarity	NPD7314	Clinical (unspecified phase)
0.6471	Remote Similarity	NPD7743	Approved
0.6471	Remote Similarity	NPD7742	Approved
0.6467	Remote Similarity	NPD8032	Phase 2
0.6458	Remote Similarity	NPD6785	Approved
0.6458	Remote Similarity	NPD6784	Approved
0.6442	Remote Similarity	NPD8651	Approved
0.6438	Remote Similarity	NPD2932	Approved
0.6437	Remote Similarity	NPD7274	Clinical (unspecified phase)
0.6437	Remote Similarity	NPD7910	Clinical (unspecified phase)
0.6433	Remote Similarity	NPD4198	Discontinued
0.6429	Remote Similarity	NPD7768	Phase 2
0.6429	Remote Similarity	NPD6213	Phase 3
0.6429	Remote Similarity	NPD6214	Clinical (unspecified phase)
0.6429	Remote Similarity	NPD6212	Phase 3
0.6421	Remote Similarity	NPD8368	Discontinued
0.6416	Remote Similarity	NPD5698	Clinical (unspecified phase)
0.6409	Remote Similarity	NPD7819	Suspended
0.6402	Remote Similarity	NPD7319	Approved
0.6387	Remote Similarity	NPD969	Suspended
0.6387	Remote Similarity	NPD4338	Clinical (unspecified phase)
0.6383	Remote Similarity	NPD3751	Discontinued
0.6379	Remote Similarity	NPD7982	Clinical (unspecified phase)
0.6378	Remote Similarity	NPD6959	Discontinued
0.6374	Remote Similarity	NPD8443	Clinical (unspecified phase)
0.6369	Remote Similarity	NPD5808	Clinical (unspecified phase)
0.6364	Remote Similarity	NPD7852	Clinical (unspecified phase)
0.6364	Remote Similarity	NPD6168	Clinical (unspecified phase)
0.6364	Remote Similarity	NPD6167	Clinical (unspecified phase)
0.6364	Remote Similarity	NPD6166	Phase 2
0.6358	Remote Similarity	NPD3705	Approved
0.6348	Remote Similarity	NPD6980	Clinical (unspecified phase)
0.6347	Remote Similarity	NPD3027	Phase 3
0.6346	Remote Similarity	NPD8133	Approved
0.6344	Remote Similarity	NPD3787	Discontinued
0.6337	Remote Similarity	NPD5406	Approved
0.6337	Remote Similarity	NPD5404	Approved
0.6337	Remote Similarity	NPD5405	Approved
0.6337	Remote Similarity	NPD5408	Approved
0.6335	Remote Similarity	NPD4626	Approved
0.6331	Remote Similarity	NPD1612	Clinical (unspecified phase)
0.6331	Remote Similarity	NPD1613	Approved
0.633	Remote Similarity	NPD7473	Discontinued
0.6329	Remote Similarity	NPD7157	Approved
0.6328	Remote Similarity	NPD8389	Clinical (unspecified phase)
0.6328	Remote Similarity	NPD7446	Clinical (unspecified phase)
0.6322	Remote Similarity	NPD1652	Phase 2
0.6319	Remote Similarity	NPD7096	Clinical (unspecified phase)
0.6308	Remote Similarity	NPD7906	Approved
0.6294	Remote Similarity	NPD3657	Discovery
0.6291	Remote Similarity	NPD8155	Clinical (unspecified phase)
0.6286	Remote Similarity	NPD4110	Phase 3

Structure

NPC269668 OpenBabel07101719522D 74 83 0 0 1 0 0 0 0 0999 V2000 2.4327 1.5955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7006 1.5955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4044 -1.9655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9044 -2.8316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6371 -3.3316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8025 -0.6180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5000 -2.4841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6986 -7.1406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5647 -8.6406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8326 -8.6406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5647 -6.6406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.4307 -8.1406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4013 -2.4271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1019 -2.8316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9666 -8.1406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2038 -1.6180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2038 -4.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5031 -3.6406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5031 -1.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5667 0.0955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7006 -1.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7704 -10.1406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4147 -1.7927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9044 -6.6406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1074 -1.3181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3098 -0.2354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5667 1.0955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6986 -8.1406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.4307 -7.1406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7006 -0.4045 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4013 -1.6180 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.7704 -7.1406 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.6365 -9.6406 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.0025 -2.6017 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.2038 -2.4271 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.8025 -2.4271 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.9044 -3.6406 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -10.1006 -8.6406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5025 -10.1406 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -8.0025 -2.6017 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.3685 -9.6406 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.3115 -3.5528 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.6365 -6.6406 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.3685 -8.6406 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.6365 -5.6406 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7006 -1.2135 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.5025 -4.1406 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.7704 -5.1406 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.5025 -8.1406 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.9044 -2.8316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5031 -2.8316 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.8025 -1.6180 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0000 -1.6180 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.1019 -1.2135 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7006 -0.4045 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.7704 -11.1406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8214 -0.8792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -15.2967 -6.6406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7704 -8.1406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.1006 -9.6406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.5025 -11.1406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.5903 -1.7927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.2345 -10.1406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.2626 -3.8618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5000 -2.4841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9044 -5.6406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4438 0.2646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6935 -3.5528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6365 -8.6406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7704 -4.1406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.2345 -8.1406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.5025 -7.1406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.5025 -5.1406 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 27 1 0 0 0 0 2 27 1 0 0 0 0 3 50 1 0 0 0 0 4 50 1 0 0 0 0 6 52 1 0 0 0 0 8 11 1 0 0 0 0 8 28 2 0 0 0 0 9 12 2 0 0 0 0 9 28 1 0 0 0 0 10 15 2 0 0 0 0 10 28 1 0 0 0 0 11 29 2 0 0 0 0 12 29 1 0 0 0 0 13 14 1 0 0 0 0 13 31 1 0 0 0 0 14 36 1 0 0 0 0 15 38 1 0 0 0 0 16 19 1 0 0 0 0 16 35 1 0 0 0 0 17 18 1 0 0 0 0 17 37 1 0 0 0 0 18 51 1 0 0 0 0 19 52 1 0 0 0 0 20 27 2 0 0 0 0 21 30 1 0 0 0 0 21 53 1 0 0 0 0 22 56 1 0 0 0 0 23 57 1 0 0 0 0 24 32 1 0 0 0 0 24 66 1 0 0 0 0 26 54 1 0 0 0 0 26 67 1 0 0 0 0 29 58 1 0 0 0 0 30 20 1 1 0 0 0 30 74 1 0 0 0 0 31 46 1 0 0 0 0 31 54 1 1 0 0 0 32 43 1 0 0 0 0 32 59 1 6 0 0 0 33 22 1 6 0 0 0 33 39 1 0 0 0 0 33 69 1 0 0 0 0 34 23 1 6 0 0 0 34 40 1 0 0 0 0 34 68 1 0 0 0 0 35 50 1 0 0 0 0 35 51 1 6 0 0 0 36 51 1 6 0 0 0 36 52 1 0 0 0 0 37 50 1 0 0 0 0 37 70 1 6 0 0 0 38 60 2 0 0 0 0 38 71 1 0 0 0 0 39 41 1 0 0 0 0 39 61 1 1 0 0 0 40 42 1 0 0 0 0 40 62 1 1 0 0 0 41 44 1 0 0 0 0 41 63 1 6 0 0 0 42 47 1 0 0 0 0 42 64 1 6 0 0 0 43 45 1 0 0 0 0 43 72 1 6 0 0 0 44 49 1 0 0 0 0 44 71 1 1 0 0 0 45 48 1 0 0 0 0 45 73 1 1 0 0 0 46 53 1 6 0 0 0 46 55 1 0 0 0 0 47 68 1 0 0 0 0 47 73 1 1 0 0 0 48 66 1 0 0 0 0 48 70 1 6 0 0 0 49 69 1 0 0 0 0 49 72 1 6 0 0 0 51 5 1 6 0 0 0 52 54 1 1 0 0 0 53 7 1 1 0 0 0 53 65 1 0 0 0 0 54 25 1 6 0 0 0 55 25 1 6 0 0 0 55 67 1 0 0 0 0 55 74 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	21581032
ChEMBL	CHEMBL509778
ZINC

Physicochemical Properties

Molecular Weight:	1044.53
ALogP:	-2.1283
MLogP:	5.42
XLogP:	5.684
# Rotatable Bonds:	29
Polar Surface Area:	282.21
# H-Bond Aceptor:	18
# H-Bond Donor:	9
# Rings:	10
# Heavy Atoms:	74

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