NPASS Natural Product

Natural Product: NPC186228

Natural Product ID:	NPC186228
Common Name:	Larixinol
IUPAC Name:	(2R,2'R,3S,3'R)-3',4,5',6-tetrahydroxy-2,2'-bis(4-hydroxyphenyl)spiro[2H-1-benzofuran-3,9'-3,4-dihydro-2H-furo[2,3-h]chromene]-8'-one
Synonyms:	Larixinol
Molecular Formula:	C30H22O10
Standard InCHIKey:	RNDNBGULZNCSNB-QCWIYXSRSA-N
Standard InCHI:	InChI=1S/C30H22O10/c31-15-5-1-13(2-6-15)26-21(36)11-18-19(34)12-23-25(27(18)40-26)30(29(37)39-23)24-20(35)9-17(33)10-22(24)38-28(30)14-3-7-16(32)8-4-14/h1-10,12,21,26,28,31-36H,11H2/t21-,26-,28-,30+/m1/s1
Canonical SMILES:	Oc1ccc(cc1)[C@H]1Oc2c(C[C@H]1O)c(O)cc1c2[C@]2(C(=O)O1)[C@H](Oc1c2c(O)cc(c1)O)c1ccc(cc1)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
NPO1943	Yucca schidigera	Species	Asparagaceae	Eukaryota	bark			PMID[15165156]

Biological Activity

Activity Type	# Activity
Others	3

Activity Type	# Activity
Others	3

Target ID	Target Type	Target Name	Activity Type	Activity Relation	Value	Unit	Reference
NPT2	Others	Unspecified	Activity	=	24.4	%	DrugMatrix in vivo data: Hematology
NPT2	Others	Unspecified	Activity	=	51	%	19072548
NPT2	Others	Unspecified	Activity	=	1.788	nM	25856683

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 NPC186228 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	305
0.1-0.2	1047
0.2-0.3	2240
0.3-0.4	4588
0.4-0.5	7499
0.5-0.6	4230
0.6-0.7	4214
0.7-0.8	6122
0.8-0.85	613
0.85-0.9	27
0.9-0.95	4
0.95-1	0

Similarity Score	Similarity Level	Natural Product ID
0.9231	High Similarity	NPC55463
0.9231	High Similarity	NPC166116
0.9074	High Similarity	NPC215802
0.9074	High Similarity	NPC167231
0.8963	High Similarity	NPC91043
0.878	High Similarity	NPC82330
0.8675	High Similarity	NPC53252
0.8659	High Similarity	NPC63438
0.865	High Similarity	NPC97812
0.8642	High Similarity	NPC94220
0.8642	High Similarity	NPC166456
0.8642	High Similarity	NPC24339
0.8642	High Similarity	NPC7543
0.8642	High Similarity	NPC98083
0.8642	High Similarity	NPC123544
0.8623	High Similarity	NPC8704
0.8623	High Similarity	NPC287884
0.8608	High Similarity	NPC103116
0.8571	High Similarity	NPC472584
0.8554	High Similarity	NPC9309
0.8537	High Similarity	NPC92589
0.8537	High Similarity	NPC177100
0.8537	High Similarity	NPC139540
0.8537	High Similarity	NPC109061
0.8519	High Similarity	NPC69531
0.8519	High Similarity	NPC32867
0.8519	High Similarity	NPC165483
0.8519	High Similarity	NPC471787
0.8512	High Similarity	NPC120220
0.8506	High Similarity	NPC277331
0.8506	High Similarity	NPC100482
0.8485	Intermediate Similarity	NPC55121
0.8476	Intermediate Similarity	NPC73422
0.8476	Intermediate Similarity	NPC310399
0.8466	Intermediate Similarity	NPC323627
0.8466	Intermediate Similarity	NPC318527
0.8466	Intermediate Similarity	NPC322459
0.8466	Intermediate Similarity	NPC475184
0.8466	Intermediate Similarity	NPC324358
0.8457	Intermediate Similarity	NPC66441
0.8457	Intermediate Similarity	NPC300668
0.8457	Intermediate Similarity	NPC182555
0.8457	Intermediate Similarity	NPC134171
0.8452	Intermediate Similarity	NPC307287
0.8447	Intermediate Similarity	NPC473236
0.8447	Intermediate Similarity	NPC174086
0.8434	Intermediate Similarity	NPC38591
0.8424	Intermediate Similarity	NPC124747
0.8424	Intermediate Similarity	NPC155754
0.8424	Intermediate Similarity	NPC312273
0.8424	Intermediate Similarity	NPC301256
0.8421	Intermediate Similarity	NPC324220
0.8421	Intermediate Similarity	NPC312630
0.8415	Intermediate Similarity	NPC295090
0.8415	Intermediate Similarity	NPC209473
0.8415	Intermediate Similarity	NPC329743
0.8412	Intermediate Similarity	NPC168789
0.8408	Intermediate Similarity	NPC71739
0.8395	Intermediate Similarity	NPC244250
0.8395	Intermediate Similarity	NPC112701
0.8395	Intermediate Similarity	NPC109594
0.8395	Intermediate Similarity	NPC326592
0.8395	Intermediate Similarity	NPC20907
0.8385	Intermediate Similarity	NPC78835
0.8385	Intermediate Similarity	NPC204561
0.8385	Intermediate Similarity	NPC316960
0.8385	Intermediate Similarity	NPC477897
0.8385	Intermediate Similarity	NPC289774
0.8385	Intermediate Similarity	NPC317715
0.8385	Intermediate Similarity	NPC209846
0.8385	Intermediate Similarity	NPC328740
0.8385	Intermediate Similarity	NPC148945
0.8385	Intermediate Similarity	NPC309512
0.8375	Intermediate Similarity	NPC100818
0.8373	Intermediate Similarity	NPC473012
0.8373	Intermediate Similarity	NPC473011
0.8373	Intermediate Similarity	NPC192258
0.8373	Intermediate Similarity	NPC476200
0.8373	Intermediate Similarity	NPC174311
0.8365	Intermediate Similarity	NPC227516
0.8365	Intermediate Similarity	NPC20757
0.8364	Intermediate Similarity	NPC24164
0.8354	Intermediate Similarity	NPC102280
0.8354	Intermediate Similarity	NPC257166
0.8354	Intermediate Similarity	NPC248053
0.8354	Intermediate Similarity	NPC155564
0.8353	Intermediate Similarity	NPC81332
0.8353	Intermediate Similarity	NPC186847
0.8353	Intermediate Similarity	NPC262580
0.8353	Intermediate Similarity	NPC289396
0.8353	Intermediate Similarity	NPC271848
0.8353	Intermediate Similarity	NPC65333
0.8353	Intermediate Similarity	NPC472454
0.8353	Intermediate Similarity	NPC212038
0.8353	Intermediate Similarity	NPC257667
0.8344	Intermediate Similarity	NPC108937
0.8344	Intermediate Similarity	NPC279218
0.8344	Intermediate Similarity	NPC258474
0.8344	Intermediate Similarity	NPC201227
0.8333	Intermediate Similarity	NPC10807
0.8333	Intermediate Similarity	NPC320741
0.8333	Intermediate Similarity	NPC56232
0.8333	Intermediate Similarity	NPC150123
0.8333	Intermediate Similarity	NPC161881
0.8333	Intermediate Similarity	NPC224851
0.8333	Intermediate Similarity	NPC244583
0.8333	Intermediate Similarity	NPC171985
0.8323	Intermediate Similarity	NPC473009
0.8313	Intermediate Similarity	NPC90336
0.8313	Intermediate Similarity	NPC122894
0.8304	Intermediate Similarity	NPC98583
0.8303	Intermediate Similarity	NPC15815
0.8303	Intermediate Similarity	NPC51247
0.8303	Intermediate Similarity	NPC51760
0.8294	Intermediate Similarity	NPC76047
0.8294	Intermediate Similarity	NPC180768
0.8293	Intermediate Similarity	NPC321372
0.8293	Intermediate Similarity	NPC198489
0.8293	Intermediate Similarity	NPC109967
0.8293	Intermediate Similarity	NPC475797
0.8293	Intermediate Similarity	NPC61112
0.8293	Intermediate Similarity	NPC474738
0.8293	Intermediate Similarity	NPC470625
0.8293	Intermediate Similarity	NPC474609
0.8293	Intermediate Similarity	NPC78554
0.8293	Intermediate Similarity	NPC129053
0.8293	Intermediate Similarity	NPC309648
0.8293	Intermediate Similarity	NPC469936
0.8293	Intermediate Similarity	NPC78492
0.8293	Intermediate Similarity	NPC208152
0.8291	Intermediate Similarity	NPC295696
0.8284	Intermediate Similarity	NPC476459
0.8284	Intermediate Similarity	NPC473818
0.8282	Intermediate Similarity	NPC121568
0.8282	Intermediate Similarity	NPC268193
0.8276	Intermediate Similarity	NPC117668
0.8276	Intermediate Similarity	NPC53680
0.8276	Intermediate Similarity	NPC208797
0.8274	Intermediate Similarity	NPC473010
0.8274	Intermediate Similarity	NPC471788
0.8272	Intermediate Similarity	NPC59692
0.8272	Intermediate Similarity	NPC472636
0.8263	Intermediate Similarity	NPC310603
0.8263	Intermediate Similarity	NPC472876
0.8261	Intermediate Similarity	NPC3642
0.8261	Intermediate Similarity	NPC132345
0.8253	Intermediate Similarity	NPC306978
0.8247	Intermediate Similarity	NPC3049
0.8246	Intermediate Similarity	NPC477529
0.8246	Intermediate Similarity	NPC254071
0.8246	Intermediate Similarity	NPC149502
0.8246	Intermediate Similarity	NPC271755
0.8246	Intermediate Similarity	NPC100251
0.8246	Intermediate Similarity	NPC222665
0.8242	Intermediate Similarity	NPC1796
0.8242	Intermediate Similarity	NPC289322
0.8242	Intermediate Similarity	NPC271741
0.8242	Intermediate Similarity	NPC287789
0.8242	Intermediate Similarity	NPC160512
0.8242	Intermediate Similarity	NPC114179
0.8242	Intermediate Similarity	NPC38779
0.8242	Intermediate Similarity	NPC68324
0.8242	Intermediate Similarity	NPC156818
0.8235	Intermediate Similarity	NPC476279
0.8235	Intermediate Similarity	NPC107627
0.8235	Intermediate Similarity	NPC475212
0.8235	Intermediate Similarity	NPC217378
0.8232	Intermediate Similarity	NPC471116
0.8232	Intermediate Similarity	NPC304745
0.8232	Intermediate Similarity	NPC111341
0.8228	Intermediate Similarity	NPC475492
0.8225	Intermediate Similarity	NPC473278
0.8225	Intermediate Similarity	NPC260504
0.8225	Intermediate Similarity	NPC119589
0.8225	Intermediate Similarity	NPC89809
0.8221	Intermediate Similarity	NPC208011
0.8221	Intermediate Similarity	NPC78324
0.8221	Intermediate Similarity	NPC115601
0.8221	Intermediate Similarity	NPC473996
0.8221	Intermediate Similarity	NPC475790
0.8221	Intermediate Similarity	NPC474656
0.8221	Intermediate Similarity	NPC39154
0.8218	Intermediate Similarity	NPC179862
0.8214	Intermediate Similarity	NPC214279
0.821	Intermediate Similarity	NPC177308
0.821	Intermediate Similarity	NPC321896
0.821	Intermediate Similarity	NPC124478
0.821	Intermediate Similarity	NPC476185
0.8204	Intermediate Similarity	NPC142252
0.8204	Intermediate Similarity	NPC477629
0.8204	Intermediate Similarity	NPC216916
0.8204	Intermediate Similarity	NPC47923
0.8204	Intermediate Similarity	NPC195685
0.8204	Intermediate Similarity	NPC210961
0.8204	Intermediate Similarity	NPC270675
0.8204	Intermediate Similarity	NPC477628
0.8204	Intermediate Similarity	NPC472994
0.8204	Intermediate Similarity	NPC114652
0.8199	Intermediate Similarity	NPC125570
0.8194	Intermediate Similarity	NPC474687

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC186228 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	300
0.1-0.2	778
0.2-0.3	1580
0.3-0.4	2542
0.4-0.5	2120
0.5-0.6	1198
0.6-0.7	463
0.7-0.8	167
0.8-0.85	13
0.85-0.9	0
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.8395	Intermediate Similarity	NPD8455	Phase 2
0.821	Intermediate Similarity	NPD4380	Phase 2
0.8182	Intermediate Similarity	NPD4868	Clinical (unspecified phase)
0.8182	Intermediate Similarity	NPD7768	Phase 2
0.8166	Intermediate Similarity	NPD7852	Clinical (unspecified phase)
0.8133	Intermediate Similarity	NPD7075	Discontinued
0.807	Intermediate Similarity	NPD7228	Approved
0.8049	Intermediate Similarity	NPD7411	Suspended
0.8035	Intermediate Similarity	NPD7993	Clinical (unspecified phase)
0.8024	Intermediate Similarity	NPD4381	Clinical (unspecified phase)
0.8024	Intermediate Similarity	NPD3749	Approved
0.8012	Intermediate Similarity	NPD7004	Clinical (unspecified phase)
0.8012	Intermediate Similarity	NPD8443	Clinical (unspecified phase)
0.7989	Intermediate Similarity	NPD6559	Discontinued
0.7988	Intermediate Similarity	NPD6959	Discontinued
0.7976	Intermediate Similarity	NPD6234	Discontinued
0.7964	Intermediate Similarity	NPD4966	Approved
0.7964	Intermediate Similarity	NPD4965	Approved
0.7964	Intermediate Similarity	NPD4967	Phase 2
0.7953	Intermediate Similarity	NPD6168	Clinical (unspecified phase)
0.7953	Intermediate Similarity	NPD6167	Clinical (unspecified phase)
0.7953	Intermediate Similarity	NPD6166	Phase 2
0.7952	Intermediate Similarity	NPD7096	Clinical (unspecified phase)
0.7919	Intermediate Similarity	NPD5844	Phase 1
0.7919	Intermediate Similarity	NPD7804	Clinical (unspecified phase)
0.7898	Intermediate Similarity	NPD8312	Approved
0.7898	Intermediate Similarity	NPD8313	Approved
0.7892	Intermediate Similarity	NPD6801	Discontinued
0.7857	Intermediate Similarity	NPD4907	Clinical (unspecified phase)
0.7844	Intermediate Similarity	NPD2393	Clinical (unspecified phase)
0.7805	Intermediate Similarity	NPD5403	Approved
0.7798	Intermediate Similarity	NPD5402	Approved
0.7784	Intermediate Similarity	NPD37	Approved
0.7778	Intermediate Similarity	NPD7199	Phase 2
0.7759	Intermediate Similarity	NPD3818	Discontinued
0.7738	Intermediate Similarity	NPD7819	Suspended
0.7733	Intermediate Similarity	NPD6232	Discontinued
0.7727	Intermediate Similarity	NPD4908	Phase 1
0.7688	Intermediate Similarity	NPD1550	Clinical (unspecified phase)
0.7688	Intermediate Similarity	NPD1552	Clinical (unspecified phase)
0.7684	Intermediate Similarity	NPD7240	Approved
0.7683	Intermediate Similarity	NPD7410	Clinical (unspecified phase)
0.7683	Intermediate Similarity	NPD5401	Approved
0.7683	Intermediate Similarity	NPD4378	Clinical (unspecified phase)
0.7679	Intermediate Similarity	NPD1934	Approved
0.767	Intermediate Similarity	NPD7074	Phase 3
0.7665	Intermediate Similarity	NPD6599	Discontinued
0.7654	Intermediate Similarity	NPD3750	Approved
0.7654	Intermediate Similarity	NPD4628	Phase 3
0.764	Intermediate Similarity	NPD1549	Phase 2
0.764	Intermediate Similarity	NPD4338	Clinical (unspecified phase)
0.763	Intermediate Similarity	NPD3787	Discontinued
0.7628	Intermediate Similarity	NPD6859	Clinical (unspecified phase)
0.7628	Intermediate Similarity	NPD6798	Discontinued
0.7619	Intermediate Similarity	NPD7615	Clinical (unspecified phase)
0.7616	Intermediate Similarity	NPD5494	Approved
0.7614	Intermediate Similarity	NPD7054	Approved
0.76	Intermediate Similarity	NPD7473	Discontinued
0.7586	Intermediate Similarity	NPD7184	Clinical (unspecified phase)
0.7571	Intermediate Similarity	NPD7472	Approved
0.7532	Intermediate Similarity	NPD1613	Approved
0.7532	Intermediate Similarity	NPD1612	Clinical (unspecified phase)
0.7529	Intermediate Similarity	NPD7229	Phase 3
0.7529	Intermediate Similarity	NPD1465	Phase 2
0.7528	Intermediate Similarity	NPD6797	Phase 2
0.7515	Intermediate Similarity	NPD6799	Approved
0.75	Intermediate Similarity	NPD7879	Clinical (unspecified phase)
0.75	Intermediate Similarity	NPD7097	Phase 1
0.7486	Intermediate Similarity	NPD8397	Clinical (unspecified phase)
0.7486	Intermediate Similarity	NPD7251	Discontinued
0.7485	Intermediate Similarity	NPD3817	Phase 2
0.7485	Intermediate Similarity	NPD2800	Approved
0.7485	Intermediate Similarity	NPD7421	Clinical (unspecified phase)
0.7484	Intermediate Similarity	NPD5124	Phase 1
0.7484	Intermediate Similarity	NPD6355	Discontinued
0.7484	Intermediate Similarity	NPD5123	Clinical (unspecified phase)
0.747	Intermediate Similarity	NPD2534	Approved
0.747	Intermediate Similarity	NPD2532	Approved
0.747	Intermediate Similarity	NPD2533	Approved
0.7469	Intermediate Similarity	NPD6006	Clinical (unspecified phase)
0.7469	Intermediate Similarity	NPD6002	Phase 3
0.7469	Intermediate Similarity	NPD6004	Phase 3
0.7469	Intermediate Similarity	NPD6003	Clinical (unspecified phase)
0.7469	Intermediate Similarity	NPD6005	Phase 3
0.7468	Intermediate Similarity	NPD6233	Phase 2
0.7453	Intermediate Similarity	NPD7033	Discontinued
0.7444	Intermediate Similarity	NPD7808	Phase 3
0.7442	Intermediate Similarity	NPD3882	Suspended
0.7439	Intermediate Similarity	NPD6398	Clinical (unspecified phase)
0.7427	Intermediate Similarity	NPD2801	Approved
0.7407	Intermediate Similarity	NPD1551	Phase 2
0.7396	Intermediate Similarity	NPD5808	Clinical (unspecified phase)
0.7386	Intermediate Similarity	NPD1610	Phase 2
0.7381	Intermediate Similarity	NPD920	Approved
0.7371	Intermediate Similarity	NPD8127	Discontinued
0.7365	Intermediate Similarity	NPD642	Clinical (unspecified phase)
0.736	Intermediate Similarity	NPD3751	Discontinued
0.7346	Intermediate Similarity	NPD3748	Approved
0.7346	Intermediate Similarity	NPD1510	Phase 2
0.7333	Intermediate Similarity	NPD7003	Approved
0.7322	Intermediate Similarity	NPD8055	Clinical (unspecified phase)
0.7321	Intermediate Similarity	NPD6273	Approved
0.7305	Intermediate Similarity	NPD1511	Approved
0.7301	Intermediate Similarity	NPD2796	Approved
0.7301	Intermediate Similarity	NPD2935	Discontinued
0.7294	Intermediate Similarity	NPD7458	Discontinued
0.7294	Intermediate Similarity	NPD3226	Approved
0.7292	Intermediate Similarity	NPD7680	Approved
0.7283	Intermediate Similarity	NPD8434	Phase 2
0.7278	Intermediate Similarity	NPD1529	Clinical (unspecified phase)
0.7273	Intermediate Similarity	NPD1652	Phase 2
0.7263	Intermediate Similarity	NPD7237	Clinical (unspecified phase)
0.7249	Intermediate Similarity	NPD8090	Clinical (unspecified phase)
0.7246	Intermediate Similarity	NPD643	Clinical (unspecified phase)
0.7239	Intermediate Similarity	NPD2799	Discontinued
0.7235	Intermediate Similarity	NPD1653	Approved
0.7219	Intermediate Similarity	NPD1512	Approved
0.7215	Intermediate Similarity	NPD1530	Clinical (unspecified phase)
0.7208	Intermediate Similarity	NPD7782	Clinical (unspecified phase)
0.7208	Intermediate Similarity	NPD7783	Phase 2
0.7205	Intermediate Similarity	NPD4060	Phase 1
0.7202	Intermediate Similarity	NPD6143	Clinical (unspecified phase)
0.7197	Intermediate Similarity	NPD2797	Approved
0.7195	Intermediate Similarity	NPD6100	Approved
0.7195	Intermediate Similarity	NPD6099	Approved
0.7194	Intermediate Similarity	NPD8151	Discontinued
0.7188	Intermediate Similarity	NPD2313	Discontinued
0.7188	Intermediate Similarity	NPD3764	Approved
0.7169	Intermediate Similarity	NPD1243	Approved
0.7143	Intermediate Similarity	NPD5953	Discontinued
0.7126	Intermediate Similarity	NPD1878	Clinical (unspecified phase)
0.7125	Intermediate Similarity	NPD7095	Approved
0.7125	Intermediate Similarity	NPD3027	Phase 3
0.7124	Intermediate Similarity	NPD1548	Phase 1
0.7113	Intermediate Similarity	NPD7435	Discontinued
0.7112	Intermediate Similarity	NPD4287	Approved
0.7108	Intermediate Similarity	NPD2424	Discontinued
0.7108	Intermediate Similarity	NPD970	Clinical (unspecified phase)
0.7107	Intermediate Similarity	NPD2861	Phase 2
0.7101	Intermediate Similarity	NPD7390	Discontinued
0.7099	Intermediate Similarity	NPD1240	Approved
0.7093	Intermediate Similarity	NPD8158	Clinical (unspecified phase)
0.7091	Intermediate Similarity	NPD5405	Approved
0.7091	Intermediate Similarity	NPD5404	Approved
0.7091	Intermediate Similarity	NPD5408	Approved
0.7091	Intermediate Similarity	NPD5406	Approved
0.7089	Intermediate Similarity	NPD1203	Approved
0.7083	Intermediate Similarity	NPD6190	Approved
0.7081	Intermediate Similarity	NPD1699	Clinical (unspecified phase)
0.7081	Intermediate Similarity	NPD3268	Approved
0.7081	Intermediate Similarity	NPD6410	Clinical (unspecified phase)
0.7076	Intermediate Similarity	NPD7427	Discontinued
0.7076	Intermediate Similarity	NPD6980	Clinical (unspecified phase)
0.7065	Intermediate Similarity	NPD4419	Clinical (unspecified phase)
0.7063	Intermediate Similarity	NPD6832	Phase 2
0.7062	Intermediate Similarity	NPD919	Approved
0.7051	Intermediate Similarity	NPD422	Phase 1
0.7048	Intermediate Similarity	NPD2343	Clinical (unspecified phase)
0.7048	Intermediate Similarity	NPD2346	Discontinued
0.7047	Intermediate Similarity	NPD6777	Approved
0.7047	Intermediate Similarity	NPD6782	Approved
0.7047	Intermediate Similarity	NPD6779	Approved
0.7047	Intermediate Similarity	NPD6780	Approved
0.7047	Intermediate Similarity	NPD6778	Approved
0.7047	Intermediate Similarity	NPD6781	Approved
0.7047	Intermediate Similarity	NPD6776	Approved
0.7044	Intermediate Similarity	NPD5647	Approved
0.7039	Intermediate Similarity	NPD5711	Approved
0.7039	Intermediate Similarity	NPD5710	Approved
0.7033	Intermediate Similarity	NPD7286	Phase 2
0.703	Intermediate Similarity	NPD5588	Approved
0.7025	Intermediate Similarity	NPD8651	Approved
0.7025	Intermediate Similarity	NPD3225	Approved
0.7019	Intermediate Similarity	NPD4625	Phase 3
0.7012	Intermediate Similarity	NPD1607	Approved
0.7011	Intermediate Similarity	NPD6677	Suspended
0.7006	Intermediate Similarity	NPD4534	Discontinued
0.7005	Intermediate Similarity	NPD8150	Discontinued
0.7	Intermediate Similarity	NPD7212	Phase 2
0.7	Intermediate Similarity	NPD7213	Phase 3
0.6994	Remote Similarity	NPD4140	Approved
0.6989	Remote Similarity	NPD7090	Clinical (unspecified phase)
0.6988	Remote Similarity	NPD4477	Approved
0.6988	Remote Similarity	NPD4476	Approved
0.6974	Remote Similarity	NPD6823	Phase 2
0.6964	Remote Similarity	NPD5698	Clinical (unspecified phase)
0.6959	Remote Similarity	NPD7447	Phase 1
0.6946	Remote Similarity	NPD2344	Approved
0.6943	Remote Similarity	NPD1091	Approved
0.6941	Remote Similarity	NPD5058	Phase 3
0.6933	Remote Similarity	NPD4062	Phase 3
0.6932	Remote Similarity	NPD5761	Phase 2
0.6932	Remote Similarity	NPD5760	Phase 2
0.6923	Remote Similarity	NPD4109	Clinical (unspecified phase)
0.6923	Remote Similarity	NPD4110	Phase 3
0.6909	Remote Similarity	NPD6651	Approved
0.6906	Remote Similarity	NPD3926	Phase 2
0.6905	Remote Similarity	NPD5958	Discontinued
0.6904	Remote Similarity	NPD7870	Phase 2
0.6904	Remote Similarity	NPD7871	Phase 2

Structure

NPC186228 OpenBabel07101718182D 40 46 0 0 1 0 0 0 0 0999 V2000 -3.2652 4.4243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6717 4.4243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6808 1.4361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6808 3.0296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2652 5.3443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6717 5.3443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6008 1.4361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6008 3.0296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4685 1.7729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6717 3.1529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2652 1.6643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6717 -0.1757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4685 3.9643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2208 2.2329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4685 5.8043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0608 2.2329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4685 2.6929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4685 1.2043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4685 0.2843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6717 1.3129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2652 2.5843 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8750 2.6929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8750 0.2843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8750 1.7729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8750 1.2043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4685 3.0443 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.6717 1.6643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5408 2.2329 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5408 0.7443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 1.4886 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.4685 6.7243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9808 2.2329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2652 3.1529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2652 -0.1757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6717 -0.5271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0619 3.0443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4608 0.7443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 2.9772 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 -1.6717 2.5843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 13 2 0 0 0 0 2 6 2 0 0 0 0 2 13 1 0 0 0 0 3 7 1 0 0 0 0 3 14 2 0 0 0 0 4 8 2 0 0 0 0 4 14 1 0 0 0 0 5 15 2 0 0 0 0 6 15 1 0 0 0 0 7 16 2 0 0 0 0 8 16 1 0 0 0 0 9 17 2 0 0 0 0 9 20 1 0 0 0 0 10 17 1 0 0 0 0 10 22 2 0 0 0 0 11 18 1 0 0 0 0 11 21 1 0 0 0 0 12 19 2 0 0 0 0 12 23 1 0 0 0 0 14 28 1 0 0 0 0 15 31 1 0 0 0 0 16 32 1 0 0 0 0 17 33 1 0 0 0 0 18 19 1 0 0 0 0 18 27 2 0 0 0 0 19 34 1 0 0 0 0 20 24 2 0 0 0 0 20 35 1 0 0 0 0 21 26 1 0 0 0 0 21 36 1 1 0 0 0 22 24 1 0 0 0 0 22 38 1 0 0 0 0 23 25 2 0 0 0 0 23 39 1 0 0 0 0 25 27 1 0 0 0 0 25 30 1 0 0 0 0 26 13 1 1 0 0 0 26 40 1 0 0 0 0 27 40 1 0 0 0 0 28 30 1 1 0 0 0 28 38 1 0 0 0 0 29 30 1 0 0 0 0 29 37 2 0 0 0 0 29 39 1 0 0 0 0 30 24 1 6 0 0 0 M END $$$$

External Identifiers

PubChem CID	44559538
ChEMBL	CHEMBL481072
ZINC

Physicochemical Properties

Molecular Weight:	542.12
ALogP:	-3.6197
MLogP:	3.66
XLogP:	1.681
# Rotatable Bonds:	8
Polar Surface Area:	166.14
# H-Bond Aceptor:	2
# H-Bond Donor:	6
# Rings:	7
# Heavy Atoms:	40

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