NPASS Natural Product

Natural Product: NPC164937

Natural Product ID:	NPC164937
Common Name:	Suillusin
IUPAC Name:	methyl (3aR,8bS)-3-(3,4-dihydroxyphenyl)-2,7-dihydroxy-1-oxo-8bH-cyclopenta[b][1]benzofuran-3a-carboxylate
Synonyms:	Suillusin
Molecular Formula:	C19H14O8
Standard InCHIKey:	MWJUVQKVZFIANK-BEFAXECRSA-N
Standard InCHI:	InChI=1S/C19H14O8/c1-26-18(25)19-14(8-2-4-11(21)12(22)6-8)16(23)17(24)15(19)10-7-9(20)3-5-13(10)27-19/h2-7,15,20-23H,1H3/t15-,19+/m1/s1
Canonical SMILES:	COC(=O)[C@]12Oc3c([C@@H]2C(=O)C(=C1c1ccc(c(c1)O)O)O)cc(cc3)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
NPO27847	Suillus granulatus	Species	Suillaceae	Eukaryota				PMID[11575963]

Biological Activity

Activity Type	# Activity
IC50	2
Others	1

Activity Type	# Activity
Cell Line	2
Others	1

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT323	Cell Line	SW-620	Homo sapiens	IC50	=	20	ug/ml	22316168
NPT398	Cell Line	UACC-62	Homo sapiens	IC50	=	12	ug/ml	22316168
NPT1	Others	Radical scavenging activity		Activity	=	30	%	22304303

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 NPC164937 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	306
0.1-0.2	1191
0.2-0.3	2324
0.3-0.4	5359
0.4-0.5	7120
0.5-0.6	3757
0.6-0.7	4536
0.7-0.8	5811
0.8-0.85	477
0.85-0.9	8
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Natural Product ID
0.872	High Similarity	NPC173729
0.872	High Similarity	NPC272750
0.872	High Similarity	NPC134047
0.872	High Similarity	NPC223006
0.8659	High Similarity	NPC144557
0.8547	High Similarity	NPC475996
0.8537	High Similarity	NPC472961
0.8537	High Similarity	NPC472962
0.848	Intermediate Similarity	NPC24258
0.8476	Intermediate Similarity	NPC195832
0.8457	Intermediate Similarity	NPC477299
0.8443	Intermediate Similarity	NPC88243
0.8424	Intermediate Similarity	NPC471744
0.8415	Intermediate Similarity	NPC176665
0.8415	Intermediate Similarity	NPC163524
0.8415	Intermediate Similarity	NPC287979
0.8415	Intermediate Similarity	NPC305663
0.8412	Intermediate Similarity	NPC247964
0.8408	Intermediate Similarity	NPC32
0.8408	Intermediate Similarity	NPC122491
0.8405	Intermediate Similarity	NPC80489
0.8405	Intermediate Similarity	NPC214138
0.8402	Intermediate Similarity	NPC216403
0.8402	Intermediate Similarity	NPC41494
0.8402	Intermediate Similarity	NPC186100
0.8383	Intermediate Similarity	NPC263092
0.8383	Intermediate Similarity	NPC39305
0.8383	Intermediate Similarity	NPC1706
0.8383	Intermediate Similarity	NPC59295
0.8383	Intermediate Similarity	NPC1755
0.8373	Intermediate Similarity	NPC112418
0.8365	Intermediate Similarity	NPC299090
0.8365	Intermediate Similarity	NPC143892
0.8365	Intermediate Similarity	NPC283081
0.8365	Intermediate Similarity	NPC221383
0.8364	Intermediate Similarity	NPC261004
0.8364	Intermediate Similarity	NPC204854
0.8364	Intermediate Similarity	NPC25495
0.8364	Intermediate Similarity	NPC152166
0.8364	Intermediate Similarity	NPC130894
0.8364	Intermediate Similarity	NPC115798
0.8364	Intermediate Similarity	NPC4481
0.8364	Intermediate Similarity	NPC300943
0.8364	Intermediate Similarity	NPC191459
0.8364	Intermediate Similarity	NPC22472
0.8364	Intermediate Similarity	NPC18607
0.8364	Intermediate Similarity	NPC9609
0.8364	Intermediate Similarity	NPC19687
0.8364	Intermediate Similarity	NPC7846
0.8364	Intermediate Similarity	NPC105242
0.8364	Intermediate Similarity	NPC288669
0.8364	Intermediate Similarity	NPC143828
0.8364	Intermediate Similarity	NPC253634
0.8364	Intermediate Similarity	NPC176300
0.8364	Intermediate Similarity	NPC18772
0.8354	Intermediate Similarity	NPC266960
0.8354	Intermediate Similarity	NPC43243
0.8354	Intermediate Similarity	NPC98661
0.8354	Intermediate Similarity	NPC245546
0.8354	Intermediate Similarity	NPC247017
0.8343	Intermediate Similarity	NPC76482
0.8333	Intermediate Similarity	NPC36320
0.8333	Intermediate Similarity	NPC45449
0.8324	Intermediate Similarity	NPC98546
0.8323	Intermediate Similarity	NPC238995
0.8323	Intermediate Similarity	NPC471745
0.8323	Intermediate Similarity	NPC32197
0.8303	Intermediate Similarity	NPC78302
0.8303	Intermediate Similarity	NPC189179
0.8303	Intermediate Similarity	NPC29841
0.8303	Intermediate Similarity	NPC93376
0.8303	Intermediate Similarity	NPC227192
0.8303	Intermediate Similarity	NPC203891
0.8303	Intermediate Similarity	NPC235215
0.8303	Intermediate Similarity	NPC101830
0.8303	Intermediate Similarity	NPC472438
0.8303	Intermediate Similarity	NPC110070
0.8303	Intermediate Similarity	NPC7973
0.8303	Intermediate Similarity	NPC224137
0.8303	Intermediate Similarity	NPC75215
0.8294	Intermediate Similarity	NPC280493
0.8293	Intermediate Similarity	NPC26227
0.8293	Intermediate Similarity	NPC268008
0.8293	Intermediate Similarity	NPC44079
0.8293	Intermediate Similarity	NPC201451
0.8291	Intermediate Similarity	NPC474692
0.8282	Intermediate Similarity	NPC289968
0.8282	Intermediate Similarity	NPC304954
0.828	Intermediate Similarity	NPC31751
0.828	Intermediate Similarity	NPC253481
0.828	Intermediate Similarity	NPC253722
0.8274	Intermediate Similarity	NPC472582
0.8274	Intermediate Similarity	NPC89131
0.8274	Intermediate Similarity	NPC41301
0.8269	Intermediate Similarity	NPC475012
0.8263	Intermediate Similarity	NPC188486
0.8253	Intermediate Similarity	NPC193842
0.8253	Intermediate Similarity	NPC55738
0.8253	Intermediate Similarity	NPC152904
0.825	Intermediate Similarity	NPC229264
0.8242	Intermediate Similarity	NPC268161
0.8242	Intermediate Similarity	NPC292107
0.8242	Intermediate Similarity	NPC178854
0.8242	Intermediate Similarity	NPC123208
0.8242	Intermediate Similarity	NPC200388
0.8242	Intermediate Similarity	NPC55619
0.8242	Intermediate Similarity	NPC474520
0.8242	Intermediate Similarity	NPC100916
0.8242	Intermediate Similarity	NPC49824
0.8239	Intermediate Similarity	NPC53884
0.8239	Intermediate Similarity	NPC223185
0.8239	Intermediate Similarity	NPC258671
0.8235	Intermediate Similarity	NPC86477
0.8235	Intermediate Similarity	NPC186392
0.8229	Intermediate Similarity	NPC47883
0.8225	Intermediate Similarity	NPC224280
0.8225	Intermediate Similarity	NPC29411
0.8221	Intermediate Similarity	NPC95498
0.8221	Intermediate Similarity	NPC246566
0.8218	Intermediate Similarity	NPC297807
0.8217	Intermediate Similarity	NPC326065
0.8214	Intermediate Similarity	NPC312056
0.8214	Intermediate Similarity	NPC84515
0.8214	Intermediate Similarity	NPC144843
0.8214	Intermediate Similarity	NPC272722
0.8204	Intermediate Similarity	NPC263449
0.8204	Intermediate Similarity	NPC300680
0.8204	Intermediate Similarity	NPC130955
0.8204	Intermediate Similarity	NPC246478
0.8199	Intermediate Similarity	NPC1580
0.8198	Intermediate Similarity	NPC230619
0.8198	Intermediate Similarity	NPC54098
0.8193	Intermediate Similarity	NPC96167
0.8193	Intermediate Similarity	NPC222814
0.8193	Intermediate Similarity	NPC469584
0.8193	Intermediate Similarity	NPC472913
0.8193	Intermediate Similarity	NPC472914
0.8193	Intermediate Similarity	NPC245758
0.8193	Intermediate Similarity	NPC472911
0.8193	Intermediate Similarity	NPC472910
0.8187	Intermediate Similarity	NPC247136
0.8182	Intermediate Similarity	NPC146165
0.8182	Intermediate Similarity	NPC2476
0.8182	Intermediate Similarity	NPC201136
0.8182	Intermediate Similarity	NPC167815
0.8182	Intermediate Similarity	NPC92659
0.8182	Intermediate Similarity	NPC183597
0.8182	Intermediate Similarity	NPC4455
0.8182	Intermediate Similarity	NPC189960
0.8182	Intermediate Similarity	NPC50715
0.8182	Intermediate Similarity	NPC32557
0.8182	Intermediate Similarity	NPC227325
0.8182	Intermediate Similarity	NPC138360
0.8182	Intermediate Similarity	NPC280339
0.8182	Intermediate Similarity	NPC196439
0.8182	Intermediate Similarity	NPC128863
0.8182	Intermediate Similarity	NPC163780
0.8176	Intermediate Similarity	NPC113093
0.8176	Intermediate Similarity	NPC470462
0.8176	Intermediate Similarity	NPC304956
0.8171	Intermediate Similarity	NPC57030
0.8171	Intermediate Similarity	NPC279989
0.8171	Intermediate Similarity	NPC120163
0.8171	Intermediate Similarity	NPC131624
0.8171	Intermediate Similarity	NPC199100
0.8171	Intermediate Similarity	NPC222830
0.8171	Intermediate Similarity	NPC100887
0.8171	Intermediate Similarity	NPC198826
0.8171	Intermediate Similarity	NPC180234
0.8171	Intermediate Similarity	NPC256283
0.8171	Intermediate Similarity	NPC473236
0.8171	Intermediate Similarity	NPC27208
0.8171	Intermediate Similarity	NPC212678
0.8171	Intermediate Similarity	NPC71334
0.8171	Intermediate Similarity	NPC301123
0.8171	Intermediate Similarity	NPC275836
0.8171	Intermediate Similarity	NPC239128
0.8171	Intermediate Similarity	NPC25270
0.8171	Intermediate Similarity	NPC187498
0.8171	Intermediate Similarity	NPC156222
0.8171	Intermediate Similarity	NPC93685
0.8171	Intermediate Similarity	NPC142540
0.8171	Intermediate Similarity	NPC108191
0.8171	Intermediate Similarity	NPC162313
0.8171	Intermediate Similarity	NPC123886
0.8171	Intermediate Similarity	NPC327225
0.8171	Intermediate Similarity	NPC241498
0.8171	Intermediate Similarity	NPC120537
0.8171	Intermediate Similarity	NPC131121
0.8171	Intermediate Similarity	NPC82325
0.8171	Intermediate Similarity	NPC293183
0.8171	Intermediate Similarity	NPC188203
0.8171	Intermediate Similarity	NPC275722
0.8171	Intermediate Similarity	NPC83508
0.8171	Intermediate Similarity	NPC301323
0.8166	Intermediate Similarity	NPC300984
0.8166	Intermediate Similarity	NPC475985
0.8166	Intermediate Similarity	NPC470459
0.816	Intermediate Similarity	NPC260582
0.816	Intermediate Similarity	NPC188871

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC164937 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	315
0.1-0.2	862
0.2-0.3	1703
0.3-0.4	2575
0.4-0.5	1986
0.5-0.6	1102
0.6-0.7	485
0.7-0.8	128
0.8-0.85	5
0.85-0.9	0
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.8242	Intermediate Similarity	NPD3882	Suspended
0.8171	Intermediate Similarity	NPD8055	Clinical (unspecified phase)
0.8121	Intermediate Similarity	NPD2801	Approved
0.8072	Intermediate Similarity	NPD3817	Phase 2
0.8	Intermediate Similarity	NPD4338	Clinical (unspecified phase)
0.7953	Intermediate Similarity	NPD7184	Clinical (unspecified phase)
0.7952	Intermediate Similarity	NPD1934	Approved
0.7914	Intermediate Similarity	NPD1512	Approved
0.7816	Intermediate Similarity	NPD3818	Discontinued
0.7811	Intermediate Similarity	NPD4868	Clinical (unspecified phase)
0.7803	Intermediate Similarity	NPD6167	Clinical (unspecified phase)
0.7803	Intermediate Similarity	NPD6168	Clinical (unspecified phase)
0.7803	Intermediate Similarity	NPD6166	Phase 2
0.7798	Intermediate Similarity	NPD2393	Clinical (unspecified phase)
0.7791	Intermediate Similarity	NPD1511	Approved
0.7791	Intermediate Similarity	NPD6143	Clinical (unspecified phase)
0.7778	Intermediate Similarity	NPD6190	Approved
0.7765	Intermediate Similarity	NPD7075	Discontinued
0.7759	Intermediate Similarity	NPD7473	Discontinued
0.7733	Intermediate Similarity	NPD7199	Phase 2
0.7688	Intermediate Similarity	NPD6232	Discontinued
0.7684	Intermediate Similarity	NPD6797	Phase 2
0.7683	Intermediate Similarity	NPD6799	Approved
0.7674	Intermediate Similarity	NPD5494	Approved
0.7658	Intermediate Similarity	NPD6355	Discontinued
0.7647	Intermediate Similarity	NPD5402	Approved
0.764	Intermediate Similarity	NPD7251	Discontinued
0.7624	Intermediate Similarity	NPD8434	Phase 2
0.7619	Intermediate Similarity	NPD6599	Discontinued
0.7588	Intermediate Similarity	NPD7096	Clinical (unspecified phase)
0.7588	Intermediate Similarity	NPD1465	Phase 2
0.7584	Intermediate Similarity	NPD7993	Clinical (unspecified phase)
0.756	Intermediate Similarity	NPD3226	Approved
0.7543	Intermediate Similarity	NPD3926	Phase 2
0.7542	Intermediate Similarity	NPD7685	Pre-registration
0.7531	Intermediate Similarity	NPD2344	Approved
0.753	Intermediate Similarity	NPD4378	Clinical (unspecified phase)
0.7529	Intermediate Similarity	NPD1247	Approved
0.7529	Intermediate Similarity	NPD6801	Discontinued
0.7528	Intermediate Similarity	NPD7074	Phase 3
0.7516	Intermediate Similarity	NPD1608	Approved
0.7514	Intermediate Similarity	NPD919	Approved
0.7514	Intermediate Similarity	NPD6234	Discontinued
0.7514	Intermediate Similarity	NPD3751	Discontinued
0.75	Intermediate Similarity	NPD7808	Phase 3
0.75	Intermediate Similarity	NPD4628	Phase 3
0.7484	Intermediate Similarity	NPD4060	Phase 1
0.7472	Intermediate Similarity	NPD7054	Approved
0.7469	Intermediate Similarity	NPD2935	Discontinued
0.7459	Intermediate Similarity	NPD7879	Clinical (unspecified phase)
0.7446	Intermediate Similarity	NPD8397	Clinical (unspecified phase)
0.743	Intermediate Similarity	NPD7472	Approved
0.7407	Intermediate Similarity	NPD2799	Discontinued
0.7384	Intermediate Similarity	NPD7819	Suspended
0.7378	Intermediate Similarity	NPD970	Clinical (unspecified phase)
0.7374	Intermediate Similarity	NPD5844	Phase 1
0.7358	Intermediate Similarity	NPD6798	Discontinued
0.7356	Intermediate Similarity	NPD3749	Approved
0.7349	Intermediate Similarity	NPD2309	Approved
0.7333	Intermediate Similarity	NPD7421	Clinical (unspecified phase)
0.7329	Intermediate Similarity	NPD447	Suspended
0.732	Intermediate Similarity	NPD17	Approved
0.7317	Intermediate Similarity	NPD5762	Approved
0.7317	Intermediate Similarity	NPD5763	Approved
0.7312	Intermediate Similarity	NPD6233	Phase 2
0.7299	Intermediate Similarity	NPD4965	Approved
0.7299	Intermediate Similarity	NPD4966	Approved
0.7299	Intermediate Similarity	NPD4967	Phase 2
0.7296	Intermediate Similarity	NPD7095	Approved
0.7288	Intermediate Similarity	NPD3787	Discontinued
0.7278	Intermediate Similarity	NPD7804	Clinical (unspecified phase)
0.7257	Intermediate Similarity	NPD4381	Clinical (unspecified phase)
0.7246	Intermediate Similarity	NPD2354	Approved
0.7235	Intermediate Similarity	NPD5403	Approved
0.7235	Intermediate Similarity	NPD6980	Clinical (unspecified phase)
0.7232	Intermediate Similarity	NPD8127	Discontinued
0.7225	Intermediate Similarity	NPD37	Approved
0.7222	Intermediate Similarity	NPD230	Phase 1
0.7222	Intermediate Similarity	NPD7228	Approved
0.7219	Intermediate Similarity	NPD2533	Approved
0.7219	Intermediate Similarity	NPD5401	Approved
0.7219	Intermediate Similarity	NPD2532	Approved
0.7219	Intermediate Similarity	NPD2534	Approved
0.7212	Intermediate Similarity	NPD2343	Clinical (unspecified phase)
0.7212	Intermediate Similarity	NPD1552	Clinical (unspecified phase)
0.7212	Intermediate Similarity	NPD2346	Discontinued
0.7212	Intermediate Similarity	NPD1550	Clinical (unspecified phase)
0.7209	Intermediate Similarity	NPD4380	Phase 2
0.7195	Intermediate Similarity	NPD7033	Discontinued
0.7186	Intermediate Similarity	NPD3750	Approved
0.717	Intermediate Similarity	NPD2861	Phase 2
0.7169	Intermediate Similarity	NPD1549	Phase 2
0.7168	Intermediate Similarity	NPD7411	Suspended
0.716	Intermediate Similarity	NPD1240	Approved
0.716	Intermediate Similarity	NPD943	Approved
0.7158	Intermediate Similarity	NPD6559	Discontinued
0.7143	Intermediate Similarity	NPD2313	Discontinued
0.7143	Intermediate Similarity	NPD3764	Approved
0.7143	Intermediate Similarity	NPD6859	Clinical (unspecified phase)
0.7143	Intermediate Similarity	NPD3268	Approved
0.7143	Intermediate Similarity	NPD8443	Clinical (unspecified phase)
0.7134	Intermediate Similarity	NPD4379	Clinical (unspecified phase)
0.7126	Intermediate Similarity	NPD2800	Approved
0.7125	Intermediate Similarity	NPD1529	Clinical (unspecified phase)
0.7118	Intermediate Similarity	NPD7410	Clinical (unspecified phase)
0.7118	Intermediate Similarity	NPD7004	Clinical (unspecified phase)
0.711	Intermediate Similarity	NPD7028	Phase 2
0.7108	Intermediate Similarity	NPD6003	Clinical (unspecified phase)
0.7108	Intermediate Similarity	NPD6006	Clinical (unspecified phase)
0.7108	Intermediate Similarity	NPD1471	Phase 3
0.7108	Intermediate Similarity	NPD6004	Phase 3
0.7108	Intermediate Similarity	NPD6005	Phase 3
0.7108	Intermediate Similarity	NPD6002	Phase 3
0.7107	Intermediate Similarity	NPD5647	Approved
0.7091	Intermediate Similarity	NPD1510	Phase 2
0.7083	Intermediate Similarity	NPD4109	Clinical (unspecified phase)
0.7083	Intermediate Similarity	NPD4110	Phase 3
0.7077	Intermediate Similarity	NPD7435	Discontinued
0.7073	Intermediate Similarity	NPD1607	Approved
0.707	Intermediate Similarity	NPD1481	Phase 2
0.7065	Intermediate Similarity	NPD6764	Approved
0.7065	Intermediate Similarity	NPD6765	Approved
0.7063	Intermediate Similarity	NPD1530	Clinical (unspecified phase)
0.7063	Intermediate Similarity	NPD9494	Approved
0.7059	Intermediate Similarity	NPD8150	Discontinued
0.7055	Intermediate Similarity	NPD1613	Approved
0.7055	Intermediate Similarity	NPD1612	Clinical (unspecified phase)
0.7044	Intermediate Similarity	NPD2797	Approved
0.7035	Intermediate Similarity	NPD920	Approved
0.7017	Intermediate Similarity	NPD7852	Clinical (unspecified phase)
0.7006	Intermediate Similarity	NPD1535	Discovery
0.7006	Intermediate Similarity	NPD2355	Clinical (unspecified phase)
0.7006	Intermediate Similarity	NPD2353	Approved
0.6994	Remote Similarity	NPD1653	Approved
0.6994	Remote Similarity	NPD4062	Phase 3
0.6994	Remote Similarity	NPD2370	Clinical (unspecified phase)
0.6989	Remote Similarity	NPD8313	Approved
0.6989	Remote Similarity	NPD8312	Approved
0.6988	Remote Similarity	NPD651	Clinical (unspecified phase)
0.6982	Remote Similarity	NPD6398	Clinical (unspecified phase)
0.6977	Remote Similarity	NPD5049	Phase 3
0.6964	Remote Similarity	NPD5958	Discontinued
0.6946	Remote Similarity	NPD6099	Approved
0.6946	Remote Similarity	NPD6100	Approved
0.6946	Remote Similarity	NPD2796	Approved
0.6946	Remote Similarity	NPD1551	Phase 2
0.6944	Remote Similarity	NPD6959	Discontinued
0.6941	Remote Similarity	NPD3887	Approved
0.6937	Remote Similarity	NPD1203	Approved
0.6937	Remote Similarity	NPD3266	Approved
0.6937	Remote Similarity	NPD3267	Approved
0.6927	Remote Similarity	NPD5537	Clinical (unspecified phase)
0.6923	Remote Similarity	NPD1243	Approved
0.6923	Remote Similarity	NPD6779	Approved
0.6923	Remote Similarity	NPD6777	Approved
0.6923	Remote Similarity	NPD6776	Approved
0.6923	Remote Similarity	NPD6781	Approved
0.6923	Remote Similarity	NPD6778	Approved
0.6923	Remote Similarity	NPD2403	Approved
0.6923	Remote Similarity	NPD6782	Approved
0.6923	Remote Similarity	NPD6780	Approved
0.6919	Remote Similarity	NPD642	Clinical (unspecified phase)
0.6919	Remote Similarity	NPD3688	Clinical (unspecified phase)
0.6919	Remote Similarity	NPD3146	Approved
0.6919	Remote Similarity	NPD5953	Discontinued
0.6915	Remote Similarity	NPD6785	Approved
0.6915	Remote Similarity	NPD6784	Approved
0.691	Remote Similarity	NPD7768	Phase 2
0.6909	Remote Similarity	NPD1933	Approved
0.6906	Remote Similarity	NPD7229	Phase 3
0.6893	Remote Similarity	NPD5761	Phase 2
0.6893	Remote Similarity	NPD5760	Phase 2
0.6886	Remote Similarity	NPD3748	Approved
0.6882	Remote Similarity	NPD8166	Discontinued
0.6882	Remote Similarity	NPD1878	Clinical (unspecified phase)
0.6879	Remote Similarity	NPD6273	Approved
0.6875	Remote Similarity	NPD6385	Approved
0.6875	Remote Similarity	NPD1283	Approved
0.6875	Remote Similarity	NPD6386	Approved
0.6875	Remote Similarity	NPD1876	Approved
0.6871	Remote Similarity	NPD3027	Phase 3
0.6867	Remote Similarity	NPD6653	Approved
0.6866	Remote Similarity	NPD7875	Clinical (unspecified phase)
0.6866	Remote Similarity	NPD7874	Approved
0.6864	Remote Similarity	NPD4534	Discontinued
0.6857	Remote Similarity	NPD7458	Discontinued
0.6854	Remote Similarity	NPD2296	Approved
0.6835	Remote Similarity	NPD3496	Discontinued
0.6829	Remote Similarity	NPD1699	Clinical (unspecified phase)
0.6826	Remote Similarity	NPD7097	Phase 1
0.6821	Remote Similarity	NPD7422	Clinical (unspecified phase)
0.681	Remote Similarity	NPD6832	Phase 2
0.6807	Remote Similarity	NPD4340	Discontinued
0.6807	Remote Similarity	NPD1899	Clinical (unspecified phase)
0.6805	Remote Similarity	NPD7266	Discontinued
0.6802	Remote Similarity	NPD643	Clinical (unspecified phase)
0.6802	Remote Similarity	NPD2493	Approved
0.6802	Remote Similarity	NPD2494	Approved
0.6798	Remote Similarity	NPD7972	Discontinued
0.6798	Remote Similarity	NPD8455	Phase 2

Structure

NPC164937 OpenBabel07101718282D 27 30 0 0 1 0 0 0 0 0999 V2000 1.3129 1.6670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9539 1.0181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5966 -0.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7368 1.5869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7585 0.1848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9391 -0.3379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7585 -1.7507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0550 0.0557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5966 -1.2668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9204 -1.2668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6209 1.1933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7220 0.2309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9204 -0.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4892 -1.0820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -1.5658 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4892 -2.0497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5688 -2.3488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1376 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5688 -0.7829 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.4346 -1.7507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4038 1.7622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6061 -0.1627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2721 -2.6185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2698 -3.2691 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1001 -0.1012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7440 0.8841 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 26 1 0 0 0 0 2 4 2 0 0 0 0 2 8 1 0 0 0 0 3 5 2 0 0 0 0 3 9 1 0 0 0 0 4 11 1 0 0 0 0 5 13 1 0 0 0 0 6 8 2 0 0 0 0 6 12 1 0 0 0 0 7 9 2 0 0 0 0 7 10 1 0 0 0 0 8 14 1 0 0 0 0 9 20 1 0 0 0 0 10 13 2 0 0 0 0 10 15 1 0 0 0 0 11 12 2 0 0 0 0 11 21 1 0 0 0 0 12 22 1 0 0 0 0 13 27 1 0 0 0 0 14 16 2 0 0 0 0 14 19 1 0 0 0 0 15 17 1 0 0 0 0 15 19 1 1 0 0 0 16 17 1 0 0 0 0 16 23 1 0 0 0 0 17 24 2 0 0 0 0 18 25 2 0 0 0 0 18 26 1 0 0 0 0 19 18 1 6 0 0 0 19 27 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	10317061
ChEMBL	CHEMBL517960
ZINC

Physicochemical Properties

Molecular Weight:	370.07
ALogP:	-2.5081
MLogP:	2.67
XLogP:	1.081
# Rotatable Bonds:	8
Polar Surface Area:	133.52
# H-Bond Aceptor:	4
# H-Bond Donor:	4
# Rings:	4
# Heavy Atoms:	27

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