NPASS Natural Product

Natural Product: NPC184269

Natural Product ID:	NPC184269
Common Name:	(7'r,8's,7'r,8's)-Erythro-Strebluslignanol G
IUPAC Name:
Synonyms:
Molecular Formula:	C36H36O6
Standard InCHIKey:	IGIPGPRQIZBOFQ-FYQGPRJBSA-N
Standard InCHI:	InChI=1S/C36H36O6/c1-5-7-23-9-13-31-27(17-23)29-19-25(35(39)21(3)37)11-15-33(29)42-32-14-10-24(8-6-2)18-28(32)30-20-26(36(40)22(4)38)12-16-34(30)41-31/h5-6,9-22,35-40H,1-2,7-8H2,3-4H3/t21-,22-,35-,36-/m0/s1
Canonical SMILES:	C=CCc1ccc2c(c1)c1cc(ccc1Oc1c(c3c(O2)ccc(c3)[C@H]([C@@H](O)C)O)cc(cc1)CC=C)[C@H]([C@@H](O)C)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
NPO28043	Streblus asper	Species	Moraceae	Eukaryota	Roots			PMID[23434030]

Biological Activity

Activity Type	# Activity
IC50	3
Others	4

Activity Type	# Activity
Organism	3
Others	4

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT963	Organism	Hepatitis B virus	Hepatitis B virus	IC50	=	3240	nM	19467877
NPT2	Others	Unspecified		Ratio CC50/IC50	=	74.9		15104486
NPT2	Others	Unspecified		Ratio CC50/IC50	=	13.12		17512094
NPT963	Organism	Hepatitis B virus	Hepatitis B virus	IC50	=	9020	nM	18077363
NPT963	Organism	Hepatitis B virus	Hepatitis B virus	IC50	=	1580	nM	19035792
NPT2	Others	Unspecified		Ratio CC50/IC50	=	36.52		15711537
NPT2	Others	Unspecified		CC50	=	118340	nM	26132528

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 NPC184269 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	282
0.1-0.2	1074
0.2-0.3	2179
0.3-0.4	6048
0.4-0.5	7591
0.5-0.6	2974
0.6-0.7	7130
0.7-0.8	3256
0.8-0.85	334
0.85-0.9	21
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Natural Product ID
0.8931	High Similarity	NPC471064
0.8824	High Similarity	NPC471522
0.8759	High Similarity	NPC470308
0.8759	High Similarity	NPC470307
0.8705	High Similarity	NPC100482
0.8705	High Similarity	NPC277331
0.8696	High Similarity	NPC260842
0.8652	High Similarity	NPC475492
0.8643	High Similarity	NPC186033
0.8633	High Similarity	NPC221134
0.8593	High Similarity	NPC103799
0.8571	High Similarity	NPC470372
0.8561	High Similarity	NPC28476
0.8561	High Similarity	NPC133407
0.8561	High Similarity	NPC81641
0.8552	High Similarity	NPC477612
0.854	High Similarity	NPC476617
0.854	High Similarity	NPC476616
0.854	High Similarity	NPC476615
0.8529	High Similarity	NPC303144
0.8507	High Similarity	NPC274717
0.8478	Intermediate Similarity	NPC125579
0.8478	Intermediate Similarity	NPC93783
0.8478	Intermediate Similarity	NPC79957
0.8473	Intermediate Similarity	NPC150026
0.8472	Intermediate Similarity	NPC153182
0.8472	Intermediate Similarity	NPC174251
0.8467	Intermediate Similarity	NPC92805
0.8462	Intermediate Similarity	NPC181615
0.8444	Intermediate Similarity	NPC93962
0.8429	Intermediate Similarity	NPC475836
0.8417	Intermediate Similarity	NPC262585
0.8417	Intermediate Similarity	NPC20829
0.8417	Intermediate Similarity	NPC18189
0.8406	Intermediate Similarity	NPC124085
0.8406	Intermediate Similarity	NPC117048
0.8403	Intermediate Similarity	NPC248053
0.8403	Intermediate Similarity	NPC274454
0.8403	Intermediate Similarity	NPC155564
0.8403	Intermediate Similarity	NPC102280
0.8403	Intermediate Similarity	NPC215678
0.8382	Intermediate Similarity	NPC143483
0.837	Intermediate Similarity	NPC53986
0.837	Intermediate Similarity	NPC38664
0.8369	Intermediate Similarity	NPC22317
0.8369	Intermediate Similarity	NPC20520
0.8369	Intermediate Similarity	NPC61783
0.8367	Intermediate Similarity	NPC471403
0.8367	Intermediate Similarity	NPC259707
0.8358	Intermediate Similarity	NPC276212
0.8356	Intermediate Similarity	NPC211561
0.8345	Intermediate Similarity	NPC262911
0.8345	Intermediate Similarity	NPC82917
0.8345	Intermediate Similarity	NPC18185
0.8345	Intermediate Similarity	NPC263940
0.8345	Intermediate Similarity	NPC294558
0.8345	Intermediate Similarity	NPC70409
0.8345	Intermediate Similarity	NPC108811
0.8345	Intermediate Similarity	NPC202742
0.8345	Intermediate Similarity	NPC204770
0.8345	Intermediate Similarity	NPC170103
0.8345	Intermediate Similarity	NPC236202
0.8345	Intermediate Similarity	NPC58190
0.8333	Intermediate Similarity	NPC85435
0.8333	Intermediate Similarity	NPC174977
0.8333	Intermediate Similarity	NPC26394
0.8321	Intermediate Similarity	NPC68205
0.8321	Intermediate Similarity	NPC164574
0.8321	Intermediate Similarity	NPC129784
0.8321	Intermediate Similarity	NPC207892
0.8321	Intermediate Similarity	NPC118683
0.8321	Intermediate Similarity	NPC228369
0.8321	Intermediate Similarity	NPC300875
0.8321	Intermediate Similarity	NPC196765
0.8321	Intermediate Similarity	NPC236014
0.8321	Intermediate Similarity	NPC271945
0.8321	Intermediate Similarity	NPC476166
0.8321	Intermediate Similarity	NPC164804
0.8321	Intermediate Similarity	NPC244888
0.8321	Intermediate Similarity	NPC181497
0.8321	Intermediate Similarity	NPC17343
0.8321	Intermediate Similarity	NPC293203
0.8321	Intermediate Similarity	NPC206224
0.8321	Intermediate Similarity	NPC118114
0.8321	Intermediate Similarity	NPC129106
0.8321	Intermediate Similarity	NPC150011
0.8321	Intermediate Similarity	NPC280653
0.8321	Intermediate Similarity	NPC12875
0.8321	Intermediate Similarity	NPC211413
0.8321	Intermediate Similarity	NPC268917
0.8311	Intermediate Similarity	NPC279406
0.8311	Intermediate Similarity	NPC226809
0.8311	Intermediate Similarity	NPC59692
0.8309	Intermediate Similarity	NPC134360
0.8288	Intermediate Similarity	NPC20757
0.8288	Intermediate Similarity	NPC227516
0.8286	Intermediate Similarity	NPC477939
0.8286	Intermediate Similarity	NPC54743
0.8286	Intermediate Similarity	NPC3049
0.8286	Intermediate Similarity	NPC77861
0.8286	Intermediate Similarity	NPC29799
0.8286	Intermediate Similarity	NPC141717
0.8286	Intermediate Similarity	NPC209985
0.8286	Intermediate Similarity	NPC156502
0.8286	Intermediate Similarity	NPC263367
0.8286	Intermediate Similarity	NPC177160
0.8286	Intermediate Similarity	NPC10737
0.8284	Intermediate Similarity	NPC188022
0.8284	Intermediate Similarity	NPC102540
0.8284	Intermediate Similarity	NPC285040
0.8284	Intermediate Similarity	NPC103420
0.8284	Intermediate Similarity	NPC17809
0.8276	Intermediate Similarity	NPC93610
0.8276	Intermediate Similarity	NPC14468
0.8276	Intermediate Similarity	NPC260397
0.8276	Intermediate Similarity	NPC241846
0.8276	Intermediate Similarity	NPC96576
0.8273	Intermediate Similarity	NPC115335
0.8273	Intermediate Similarity	NPC193026
0.8273	Intermediate Similarity	NPC198154
0.8273	Intermediate Similarity	NPC296915
0.8273	Intermediate Similarity	NPC49603
0.8273	Intermediate Similarity	NPC187616
0.8273	Intermediate Similarity	NPC223008
0.8273	Intermediate Similarity	NPC225696
0.8273	Intermediate Similarity	NPC97834
0.8261	Intermediate Similarity	NPC13005
0.8261	Intermediate Similarity	NPC230219
0.8255	Intermediate Similarity	NPC115203
0.8255	Intermediate Similarity	NPC224161
0.8248	Intermediate Similarity	NPC27187
0.8248	Intermediate Similarity	NPC470225
0.8248	Intermediate Similarity	NPC254000
0.8243	Intermediate Similarity	NPC324517
0.8243	Intermediate Similarity	NPC321972
0.8243	Intermediate Similarity	NPC329343
0.8239	Intermediate Similarity	NPC182509
0.8239	Intermediate Similarity	NPC213607
0.8239	Intermediate Similarity	NPC273623
0.8239	Intermediate Similarity	NPC174787
0.8235	Intermediate Similarity	NPC472968
0.8235	Intermediate Similarity	NPC222572
0.8235	Intermediate Similarity	NPC87224
0.8231	Intermediate Similarity	NPC318373
0.8231	Intermediate Similarity	NPC321657
0.8227	Intermediate Similarity	NPC71465
0.8227	Intermediate Similarity	NPC474687
0.8227	Intermediate Similarity	NPC474390
0.8227	Intermediate Similarity	NPC472646
0.8222	Intermediate Similarity	NPC26879
0.8222	Intermediate Similarity	NPC283049
0.8222	Intermediate Similarity	NPC50315
0.8222	Intermediate Similarity	NPC230479
0.8219	Intermediate Similarity	NPC99183
0.8214	Intermediate Similarity	NPC473413
0.8214	Intermediate Similarity	NPC258780
0.8214	Intermediate Similarity	NPC15109
0.8214	Intermediate Similarity	NPC11727
0.8209	Intermediate Similarity	NPC246648
0.8209	Intermediate Similarity	NPC94276
0.8209	Intermediate Similarity	NPC109822
0.8209	Intermediate Similarity	NPC134195
0.8209	Intermediate Similarity	NPC197351
0.8209	Intermediate Similarity	NPC106914
0.8209	Intermediate Similarity	NPC86502
0.8203	Intermediate Similarity	NPC12656
0.8201	Intermediate Similarity	NPC77196
0.82	Intermediate Similarity	NPC46335
0.8195	Intermediate Similarity	NPC255026
0.8194	Intermediate Similarity	NPC173203
0.8194	Intermediate Similarity	NPC163508
0.8188	Intermediate Similarity	NPC473309
0.8188	Intermediate Similarity	NPC162801
0.8188	Intermediate Similarity	NPC471517
0.8188	Intermediate Similarity	NPC282508
0.8182	Intermediate Similarity	NPC178054
0.8169	Intermediate Similarity	NPC32630
0.8169	Intermediate Similarity	NPC22517
0.8163	Intermediate Similarity	NPC226153
0.8163	Intermediate Similarity	NPC281549
0.8163	Intermediate Similarity	NPC304048
0.8162	Intermediate Similarity	NPC149796
0.8162	Intermediate Similarity	NPC21563
0.8158	Intermediate Similarity	NPC470827
0.8156	Intermediate Similarity	NPC170328
0.8156	Intermediate Similarity	NPC191462
0.8156	Intermediate Similarity	NPC472647
0.8156	Intermediate Similarity	NPC472649
0.8156	Intermediate Similarity	NPC206525
0.8156	Intermediate Similarity	NPC133463
0.8156	Intermediate Similarity	NPC470802
0.8156	Intermediate Similarity	NPC472648
0.8148	Intermediate Similarity	NPC278552
0.8148	Intermediate Similarity	NPC207179
0.8148	Intermediate Similarity	NPC167571
0.8143	Intermediate Similarity	NPC71372
0.8143	Intermediate Similarity	NPC478085
0.8143	Intermediate Similarity	NPC473107
0.8143	Intermediate Similarity	NPC141023
0.8138	Intermediate Similarity	NPC304894

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC184269 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	275
0.1-0.2	873
0.2-0.3	1389
0.3-0.4	2618
0.4-0.5	2005
0.5-0.6	1144
0.6-0.7	709
0.7-0.8	142
0.8-0.85	5
0.85-0.9	1
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.8519	High Similarity	NPD4907	Clinical (unspecified phase)
0.837	Intermediate Similarity	NPD4908	Phase 1
0.8346	Intermediate Similarity	NPD8651	Approved
0.82	Intermediate Similarity	NPD8455	Phase 2
0.8056	Intermediate Similarity	NPD5698	Clinical (unspecified phase)
0.8029	Intermediate Similarity	NPD2861	Phase 2
0.7907	Intermediate Similarity	NPD7843	Approved
0.7872	Intermediate Similarity	NPD1612	Clinical (unspecified phase)
0.7872	Intermediate Similarity	NPD1613	Approved
0.7863	Intermediate Similarity	NPD7157	Approved
0.7852	Intermediate Similarity	NPD1610	Phase 2
0.7832	Intermediate Similarity	NPD4538	Approved
0.7832	Intermediate Similarity	NPD4537	Clinical (unspecified phase)
0.7832	Intermediate Similarity	NPD4536	Approved
0.7746	Intermediate Similarity	NPD4060	Phase 1
0.7742	Intermediate Similarity	NPD7768	Phase 2
0.7734	Intermediate Similarity	NPD2684	Approved
0.773	Intermediate Similarity	NPD6798	Discontinued
0.7704	Intermediate Similarity	NPD5846	Approved
0.7704	Intermediate Similarity	NPD6516	Phase 2
0.7692	Intermediate Similarity	NPD5735	Approved
0.7687	Intermediate Similarity	NPD1548	Phase 1
0.7687	Intermediate Similarity	NPD6674	Discontinued
0.766	Intermediate Similarity	NPD4625	Phase 3
0.766	Intermediate Similarity	NPD3027	Phase 3
0.7655	Intermediate Similarity	NPD5960	Phase 3
0.7655	Intermediate Similarity	NPD5588	Approved
0.7622	Intermediate Similarity	NPD5837	Clinical (unspecified phase)
0.7591	Intermediate Similarity	NPD1091	Approved
0.7589	Intermediate Similarity	NPD1529	Clinical (unspecified phase)
0.7586	Intermediate Similarity	NPD7097	Phase 1
0.7569	Intermediate Similarity	NPD6355	Discontinued
0.7568	Intermediate Similarity	NPD7421	Clinical (unspecified phase)
0.7564	Intermediate Similarity	NPD8443	Clinical (unspecified phase)
0.7533	Intermediate Similarity	NPD5058	Phase 3
0.7519	Intermediate Similarity	NPD290	Approved
0.7518	Intermediate Similarity	NPD1530	Clinical (unspecified phase)
0.7483	Intermediate Similarity	NPD6410	Clinical (unspecified phase)
0.7482	Intermediate Similarity	NPD3600	Clinical (unspecified phase)
0.7482	Intermediate Similarity	NPD6583	Phase 3
0.7482	Intermediate Similarity	NPD6582	Phase 2
0.7463	Intermediate Similarity	NPD6671	Approved
0.7448	Intermediate Similarity	NPD5124	Phase 1
0.7448	Intermediate Similarity	NPD5123	Clinical (unspecified phase)
0.7447	Intermediate Similarity	NPD6584	Phase 3
0.7434	Intermediate Similarity	NPD7447	Phase 1
0.7434	Intermediate Similarity	NPD7004	Clinical (unspecified phase)
0.7432	Intermediate Similarity	NPD5763	Approved
0.7432	Intermediate Similarity	NPD5762	Approved
0.7431	Intermediate Similarity	NPD6233	Phase 2
0.7417	Intermediate Similarity	NPD6667	Approved
0.7417	Intermediate Similarity	NPD6666	Approved
0.7413	Intermediate Similarity	NPD7095	Approved
0.74	Intermediate Similarity	NPD4628	Phase 3
0.7368	Intermediate Similarity	NPD7212	Phase 2
0.7368	Intermediate Similarity	NPD5535	Approved
0.7368	Intermediate Similarity	NPD7213	Phase 3
0.7361	Intermediate Similarity	NPD6859	Clinical (unspecified phase)
0.7357	Intermediate Similarity	NPD5327	Phase 3
0.7329	Intermediate Similarity	NPD6959	Discontinued
0.732	Intermediate Similarity	NPD7446	Clinical (unspecified phase)
0.7308	Intermediate Similarity	NPD4380	Phase 2
0.7308	Intermediate Similarity	NPD968	Approved
0.7305	Intermediate Similarity	NPD6696	Suspended
0.7301	Intermediate Similarity	NPD7852	Clinical (unspecified phase)
0.7297	Intermediate Similarity	NPD7033	Discontinued
0.7296	Intermediate Similarity	NPD7773	Phase 2
0.7285	Intermediate Similarity	NPD4535	Phase 3
0.7278	Intermediate Similarity	NPD2393	Clinical (unspecified phase)
0.7273	Intermediate Similarity	NPD5451	Approved
0.7273	Intermediate Similarity	NPD5844	Phase 1
0.7267	Intermediate Similarity	NPD2424	Discontinued
0.7261	Intermediate Similarity	NPD6072	Discontinued
0.726	Intermediate Similarity	NPD4140	Approved
0.7255	Intermediate Similarity	NPD7040	Clinical (unspecified phase)
0.7255	Intermediate Similarity	NPD7041	Phase 2
0.7246	Intermediate Similarity	NPD6830	Clinical (unspecified phase)
0.7241	Intermediate Similarity	NPD6812	Clinical (unspecified phase)
0.7237	Intermediate Similarity	NPD2677	Approved
0.7234	Intermediate Similarity	NPD4749	Approved
0.7208	Intermediate Similarity	NPD4378	Clinical (unspecified phase)
0.7203	Intermediate Similarity	NPD3691	Phase 2
0.7203	Intermediate Similarity	NPD6917	Clinical (unspecified phase)
0.7203	Intermediate Similarity	NPD3690	Phase 2
0.72	Intermediate Similarity	NPD6003	Clinical (unspecified phase)
0.72	Intermediate Similarity	NPD6002	Phase 3
0.72	Intermediate Similarity	NPD6005	Phase 3
0.72	Intermediate Similarity	NPD6006	Clinical (unspecified phase)
0.72	Intermediate Similarity	NPD6004	Phase 3
0.7192	Intermediate Similarity	NPD7477	Discontinued
0.719	Intermediate Similarity	NPD6815	Approved
0.7185	Intermediate Similarity	NPD4869	Clinical (unspecified phase)
0.7185	Intermediate Similarity	NPD5283	Phase 1
0.7174	Intermediate Similarity	NPD7741	Discontinued
0.7174	Intermediate Similarity	NPD6581	Approved
0.7174	Intermediate Similarity	NPD6580	Approved
0.7171	Intermediate Similarity	NPD7003	Approved
0.7171	Intermediate Similarity	NPD7466	Approved
0.717	Intermediate Similarity	NPD7096	Clinical (unspecified phase)
0.7169	Intermediate Similarity	NPD7804	Clinical (unspecified phase)
0.7162	Intermediate Similarity	NPD6353	Approved
0.716	Intermediate Similarity	NPD8312	Approved
0.716	Intermediate Similarity	NPD8313	Approved
0.7152	Intermediate Similarity	NPD7615	Clinical (unspecified phase)
0.7152	Intermediate Similarity	NPD7411	Suspended
0.7152	Intermediate Similarity	NPD7037	Approved
0.7143	Intermediate Similarity	NPD3619	Clinical (unspecified phase)
0.7143	Intermediate Similarity	NPD3597	Clinical (unspecified phase)
0.7143	Intermediate Similarity	NPD7075	Discontinued
0.7143	Intermediate Similarity	NPD3620	Phase 2
0.7134	Intermediate Similarity	NPD5808	Clinical (unspecified phase)
0.7117	Intermediate Similarity	NPD8127	Discontinued
0.7105	Intermediate Similarity	NPD1652	Phase 2
0.7097	Intermediate Similarity	NPD7410	Clinical (unspecified phase)
0.7095	Intermediate Similarity	NPD4340	Discontinued
0.7092	Intermediate Similarity	NPD1611	Approved
0.7091	Intermediate Similarity	NPD6168	Clinical (unspecified phase)
0.7091	Intermediate Similarity	NPD6167	Clinical (unspecified phase)
0.7091	Intermediate Similarity	NPD6166	Phase 2
0.7086	Intermediate Similarity	NPD7030	Discontinued
0.7081	Intermediate Similarity	NPD4868	Clinical (unspecified phase)
0.7075	Intermediate Similarity	NPD7265	Discontinued
0.7073	Intermediate Similarity	NPD7229	Phase 3
0.7071	Intermediate Similarity	NPD4626	Approved
0.7071	Intermediate Similarity	NPD5125	Phase 3
0.7071	Intermediate Similarity	NPD5126	Approved
0.7063	Intermediate Similarity	NPD7258	Clinical (unspecified phase)
0.7063	Intermediate Similarity	NPD7819	Suspended
0.7052	Intermediate Similarity	NPD8397	Clinical (unspecified phase)
0.7042	Intermediate Similarity	NPD2231	Phase 2
0.7042	Intermediate Similarity	NPD2235	Phase 2
0.7037	Intermediate Similarity	NPD4381	Clinical (unspecified phase)
0.7027	Intermediate Similarity	NPD2238	Phase 2
0.7025	Intermediate Similarity	NPD7458	Discontinued
0.7021	Intermediate Similarity	NPD3496	Discontinued
0.702	Intermediate Similarity	NPD4477	Approved
0.702	Intermediate Similarity	NPD4476	Approved
0.7014	Intermediate Similarity	NPD2797	Approved
0.7014	Intermediate Similarity	NPD3094	Phase 2
0.7007	Intermediate Similarity	NPD7294	Phase 1
0.7	Intermediate Similarity	NPD3445	Approved
0.7	Intermediate Similarity	NPD3444	Approved
0.7	Intermediate Similarity	NPD5691	Approved
0.7	Intermediate Similarity	NPD7119	Phase 2
0.7	Intermediate Similarity	NPD4433	Discontinued
0.7	Intermediate Similarity	NPD6801	Discontinued
0.7	Intermediate Similarity	NPD3443	Approved
0.7	Intermediate Similarity	NPD1934	Approved
0.6993	Remote Similarity	NPD5062	Approved
0.6993	Remote Similarity	NPD3685	Discontinued
0.6993	Remote Similarity	NPD5061	Approved
0.6987	Remote Similarity	NPD4160	Clinical (unspecified phase)
0.6985	Remote Similarity	NPD821	Approved
0.6982	Remote Similarity	NPD7993	Clinical (unspecified phase)
0.6977	Remote Similarity	NPD3020	Approved
0.6975	Remote Similarity	NPD4581	Clinical (unspecified phase)
0.6974	Remote Similarity	NPD7266	Discontinued
0.6974	Remote Similarity	NPD1552	Clinical (unspecified phase)
0.6974	Remote Similarity	NPD2029	Clinical (unspecified phase)
0.6974	Remote Similarity	NPD5865	Clinical (unspecified phase)
0.6974	Remote Similarity	NPD1550	Clinical (unspecified phase)
0.6972	Remote Similarity	NPD3092	Approved
0.6972	Remote Similarity	NPD422	Phase 1
0.697	Remote Similarity	NPD3787	Discontinued
0.6959	Remote Similarity	NPD4062	Phase 3
0.6957	Remote Similarity	NPD2557	Approved
0.6957	Remote Similarity	NPD6387	Discontinued
0.6954	Remote Similarity	NPD2156	Approved
0.6954	Remote Similarity	NPD2799	Discontinued
0.6954	Remote Similarity	NPD2154	Approved
0.6954	Remote Similarity	NPD3846	Clinical (unspecified phase)
0.6954	Remote Similarity	NPD2155	Approved
0.6951	Remote Similarity	NPD4666	Phase 3
0.6948	Remote Similarity	NPD3750	Approved
0.6948	Remote Similarity	NPD6331	Phase 2
0.6944	Remote Similarity	NPD3225	Approved
0.6943	Remote Similarity	NPD6273	Approved
0.6941	Remote Similarity	NPD6559	Discontinued
0.6939	Remote Similarity	NPD3180	Approved
0.6939	Remote Similarity	NPD3179	Approved
0.6939	Remote Similarity	NPD6179	Discontinued
0.6933	Remote Similarity	NPD3054	Approved
0.6933	Remote Similarity	NPD6653	Approved
0.6933	Remote Similarity	NPD8070	Approved
0.6933	Remote Similarity	NPD4097	Suspended
0.6933	Remote Similarity	NPD3052	Approved
0.6928	Remote Similarity	NPD1549	Phase 2
0.6923	Remote Similarity	NPD1608	Approved
0.6918	Remote Similarity	NPD8158	Clinical (unspecified phase)
0.6912	Remote Similarity	NPD228	Approved
0.6909	Remote Similarity	NPD7199	Phase 2
0.6908	Remote Similarity	NPD2796	Approved
0.6908	Remote Similarity	NPD6032	Approved
0.6906	Remote Similarity	NPD3596	Phase 2
0.6906	Remote Similarity	NPD7340	Approved
0.6905	Remote Similarity	NPD7177	Discontinued
0.6899	Remote Similarity	NPD7427	Discontinued
0.6894	Remote Similarity	NPD37	Approved
0.6892	Remote Similarity	NPD3268	Approved
0.689	Remote Similarity	NPD5709	Phase 3

Structure

NPC184269 OpenBabel07101719252D 42 46 0 0 1 0 0 0 0 0999 V2000 2.7266 -3.1045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1424 6.0608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3773 -0.2872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0611 3.2435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5926 -2.6045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2764 5.5608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5926 -1.6045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2764 4.5608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8605 -1.6045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5443 4.5608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7536 2.6473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4373 0.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9945 -1.1045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3217 4.0608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8025 2.9563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4863 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7266 -0.1045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4103 3.0608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2183 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9021 1.9563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1205 0.3820 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.8042 2.5743 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7266 -1.1045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4103 4.0608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9615 1.6691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6453 1.2872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8605 0.3955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5443 2.5608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2673 1.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9511 1.6473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9945 -0.1045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3217 3.0608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0594 2.2872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7431 0.6691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9125 1.3601 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.5963 1.5962 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0715 0.0729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7553 2.8833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6557 2.0292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3395 0.9271 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 1.3162 2.9563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 5 2 0 0 0 0 2 6 2 0 0 0 0 5 7 1 0 0 0 0 6 8 1 0 0 0 0 7 23 1 0 0 0 0 8 24 1 0 0 0 0 9 13 2 0 0 0 0 9 23 1 0 0 0 0 10 14 2 0 0 0 0 10 24 1 0 0 0 0 11 15 2 0 0 0 0 11 25 1 0 0 0 0 12 16 2 0 0 0 0 12 26 1 0 0 0 0 13 31 1 0 0 0 0 14 32 1 0 0 0 0 15 33 1 0 0 0 0 16 34 1 0 0 0 0 17 23 2 0 0 0 0 17 27 1 0 0 0 0 18 24 2 0 0 0 0 18 28 1 0 0 0 0 19 25 2 0 0 0 0 19 29 1 0 0 0 0 20 26 2 0 0 0 0 20 30 1 0 0 0 0 21 3 1 1 0 0 0 21 35 1 0 0 0 0 21 37 1 0 0 0 0 22 4 1 1 0 0 0 22 36 1 0 0 0 0 22 38 1 0 0 0 0 25 35 1 0 0 0 0 26 36 1 0 0 0 0 27 29 1 0 0 0 0 27 31 2 0 0 0 0 28 30 1 0 0 0 0 28 32 2 0 0 0 0 29 33 2 0 0 0 0 30 34 2 0 0 0 0 31 41 1 0 0 0 0 32 42 1 0 0 0 0 33 42 1 0 0 0 0 34 41 1 0 0 0 0 35 39 1 1 0 0 0 36 40 1 1 0 0 0 M END $$$$

External Identifiers

PubChem CID	71580864
ChEMBL	CHEMBL2346744
ZINC

Physicochemical Properties

Molecular Weight:	564.25
ALogP:	-0.191
MLogP:	4.76
XLogP:	7.852
# Rotatable Bonds:	14
Polar Surface Area:	99.38
# H-Bond Aceptor:	4
# H-Bond Donor:	4
# Rings:	5
# Heavy Atoms:	42

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