NPASS Natural Product

Natural Product: NPC473134

Natural Product ID:	NPC473134
Common Name:	n.a.
IUPAC Name:
Synonyms:
Molecular Formula:	C19H26O3
Standard InCHIKey:	VGPPZJJHLBHJHM-UHFFFAOYSA-N
Standard InCHI:	InChI=1S/C19H26O3/c1-10(2)15-13(20)8-14-16-11-9-19(5,21-14)7-6-12(11)18(3,4)22-17(15)16/h8,10-12,20H,6-7,9H2,1-5H3
Canonical SMILES:	CC(c1c(O)cc2c3c1OC(C)(C)C1C3CC(O2)(C)CC1)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
NPO30921	Hypericum roeperianum	Species	Hypericaceae	Eukaryota				PMID[26358281]

Biological Activity

Activity Type	# Activity
EC50	1
MIC	3
Others	3

Activity Type	# Activity
Cell Line	3
Organism	4

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT175	Organism	Enterococcus faecalis	Enterococcus faecalis	MIC	>	1	ug/ml	17095213
NPT306	Cell Line	PC-3	Homo sapiens	GI	=	20	%	23368996
NPT19	Organism	Escherichia coli	Escherichia coli	MIC	>	1	ug/ml	19128055
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MIC	>	1	ug/ml	19788290
NPT25	Cell Line	MT4	Homo sapiens	CC50	=	18700	nM	23013292
NPT306	Cell Line	PC-3	Homo sapiens	GI	<	20	%	1791472
NPT24	Organism	Human immunodeficiency virus 1	Human immunodeficiency virus 1	EC50	>	18700	nM	22672802

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 NPC473134 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	296
0.1-0.2	1325
0.2-0.3	2492
0.3-0.4	6848
0.4-0.5	6617
0.5-0.6	2667
0.6-0.7	6110
0.7-0.8	4052
0.8-0.85	354
0.85-0.9	116
0.9-0.95	12
0.95-1	0

Similarity Score	Similarity Level	Natural Product ID
0.9213	High Similarity	NPC160623
0.9206	High Similarity	NPC96719
0.9206	High Similarity	NPC222108
0.9147	High Similarity	NPC473107
0.9062	High Similarity	NPC293203
0.9062	High Similarity	NPC118683
0.9062	High Similarity	NPC68205
0.9062	High Similarity	NPC164804
0.9062	High Similarity	NPC211413
0.9062	High Similarity	NPC244888
0.9055	High Similarity	NPC16577
0.9032	High Similarity	NPC96940
0.8992	High Similarity	NPC472798
0.8976	High Similarity	NPC53986
0.8976	High Similarity	NPC38664
0.8923	High Similarity	NPC24913
0.8923	High Similarity	NPC177712
0.8923	High Similarity	NPC77196
0.8906	High Similarity	NPC93962
0.8906	High Similarity	NPC472797
0.8898	High Similarity	NPC46978
0.8898	High Similarity	NPC149796
0.8855	High Similarity	NPC115335
0.8855	High Similarity	NPC225696
0.8855	High Similarity	NPC296915
0.8855	High Similarity	NPC223008
0.8855	High Similarity	NPC198154
0.8855	High Similarity	NPC97834
0.8846	High Similarity	NPC13005
0.8846	High Similarity	NPC469611
0.8837	High Similarity	NPC470225
0.8837	High Similarity	NPC27187
0.8819	High Similarity	NPC26879
0.8819	High Similarity	NPC230479
0.8819	High Similarity	NPC283049
0.8819	High Similarity	NPC50315
0.881	High Similarity	NPC106914
0.881	High Similarity	NPC197351
0.881	High Similarity	NPC246648
0.881	High Similarity	NPC134195
0.881	High Similarity	NPC86502
0.88	High Similarity	NPC57199
0.88	High Similarity	NPC74137
0.8779	High Similarity	NPC92805
0.8779	High Similarity	NPC469610
0.8769	High Similarity	NPC12875
0.8769	High Similarity	NPC17343
0.8769	High Similarity	NPC164574
0.8769	High Similarity	NPC271945
0.8769	High Similarity	NPC181497
0.8769	High Similarity	NPC129106
0.8769	High Similarity	NPC206224
0.8769	High Similarity	NPC268917
0.8769	High Similarity	NPC150011
0.8769	High Similarity	NPC8899
0.8769	High Similarity	NPC207892
0.8769	High Similarity	NPC280653
0.8769	High Similarity	NPC300875
0.8769	High Similarity	NPC236014
0.8769	High Similarity	NPC129784
0.8769	High Similarity	NPC228369
0.8769	High Similarity	NPC118114
0.8769	High Similarity	NPC476166
0.8769	High Similarity	NPC196765
0.876	High Similarity	NPC472795
0.876	High Similarity	NPC134360
0.876	High Similarity	NPC472796
0.8741	High Similarity	NPC71046
0.874	High Similarity	NPC188022
0.874	High Similarity	NPC102540
0.874	High Similarity	NPC293801
0.874	High Similarity	NPC17809
0.874	High Similarity	NPC285040
0.874	High Similarity	NPC105031
0.874	High Similarity	NPC103420
0.8731	High Similarity	NPC475836
0.8722	High Similarity	NPC472800
0.872	High Similarity	NPC193364
0.872	High Similarity	NPC54972
0.8682	High Similarity	NPC274717
0.8682	High Similarity	NPC38604
0.8682	High Similarity	NPC211179
0.8672	High Similarity	NPC170485
0.8672	High Similarity	NPC276212
0.8661	High Similarity	NPC159132
0.8661	High Similarity	NPC270030
0.8651	High Similarity	NPC100099
0.8651	High Similarity	NPC36016
0.864	High Similarity	NPC218753
0.8636	High Similarity	NPC85435
0.8633	High Similarity	NPC473135
0.8633	High Similarity	NPC470676
0.8633	High Similarity	NPC473132
0.8626	High Similarity	NPC282508
0.8583	High Similarity	NPC38761
0.8583	High Similarity	NPC76465
0.8582	High Similarity	NPC471522
0.8582	High Similarity	NPC262585
0.8582	High Similarity	NPC20829
0.8582	High Similarity	NPC18189
0.8571	High Similarity	NPC476617
0.8571	High Similarity	NPC476633
0.8571	High Similarity	NPC476615
0.8571	High Similarity	NPC117048
0.8571	High Similarity	NPC124085
0.8571	High Similarity	NPC131950
0.8571	High Similarity	NPC476616
0.8561	High Similarity	NPC471608
0.856	High Similarity	NPC282255
0.856	High Similarity	NPC3239
0.8551	High Similarity	NPC469795
0.8551	High Similarity	NPC473108
0.855	High Similarity	NPC254000
0.8548	High Similarity	NPC131118
0.854	High Similarity	NPC2613
0.854	High Similarity	NPC59841
0.854	High Similarity	NPC204347
0.854	High Similarity	NPC475891
0.8538	High Similarity	NPC47283
0.8538	High Similarity	NPC39064
0.8538	High Similarity	NPC215300
0.8519	High Similarity	NPC470307
0.8519	High Similarity	NPC470308
0.8519	High Similarity	NPC474687
0.8516	High Similarity	NPC228503
0.8516	High Similarity	NPC138248
0.8507	High Similarity	NPC125579
0.85	High Similarity	NPC474397
0.8492	Intermediate Similarity	NPC102639
0.8489	Intermediate Similarity	NPC90645
0.8489	Intermediate Similarity	NPC472457
0.8489	Intermediate Similarity	NPC469557
0.8485	Intermediate Similarity	NPC103799
0.8485	Intermediate Similarity	NPC469907
0.8485	Intermediate Similarity	NPC472590
0.8485	Intermediate Similarity	NPC162801
0.848	Intermediate Similarity	NPC85895
0.848	Intermediate Similarity	NPC137294
0.8473	Intermediate Similarity	NPC471518
0.8473	Intermediate Similarity	NPC471519
0.8467	Intermediate Similarity	NPC265075
0.8467	Intermediate Similarity	NPC5155
0.8462	Intermediate Similarity	NPC53781
0.8456	Intermediate Similarity	NPC260741
0.8456	Intermediate Similarity	NPC70682
0.8456	Intermediate Similarity	NPC32630
0.845	Intermediate Similarity	NPC113495
0.845	Intermediate Similarity	NPC105718
0.845	Intermediate Similarity	NPC278955
0.8444	Intermediate Similarity	NPC327735
0.8444	Intermediate Similarity	NPC3049
0.8444	Intermediate Similarity	NPC126101
0.8429	Intermediate Similarity	NPC233980
0.8417	Intermediate Similarity	NPC475492
0.8413	Intermediate Similarity	NPC8283
0.8413	Intermediate Similarity	NPC258979
0.8413	Intermediate Similarity	NPC93398
0.8406	Intermediate Similarity	NPC323126
0.8397	Intermediate Similarity	NPC38017
0.8397	Intermediate Similarity	NPC222572
0.8397	Intermediate Similarity	NPC223912
0.8397	Intermediate Similarity	NPC87224
0.8394	Intermediate Similarity	NPC259519
0.8394	Intermediate Similarity	NPC198038
0.8387	Intermediate Similarity	NPC229147
0.8387	Intermediate Similarity	NPC54507
0.8387	Intermediate Similarity	NPC85292
0.8385	Intermediate Similarity	NPC82299
0.8385	Intermediate Similarity	NPC262573
0.8385	Intermediate Similarity	NPC471215
0.8382	Intermediate Similarity	NPC35550
0.838	Intermediate Similarity	NPC470208
0.838	Intermediate Similarity	NPC295573
0.8372	Intermediate Similarity	NPC248557
0.837	Intermediate Similarity	NPC15109
0.837	Intermediate Similarity	NPC137580
0.837	Intermediate Similarity	NPC258780
0.837	Intermediate Similarity	NPC37410
0.837	Intermediate Similarity	NPC11727
0.837	Intermediate Similarity	NPC473413
0.8369	Intermediate Similarity	NPC101376
0.8359	Intermediate Similarity	NPC150026
0.8346	Intermediate Similarity	NPC473309
0.8346	Intermediate Similarity	NPC471517
0.8345	Intermediate Similarity	NPC472451
0.8333	Intermediate Similarity	NPC277331
0.8333	Intermediate Similarity	NPC100482
0.8333	Intermediate Similarity	NPC474494
0.8333	Intermediate Similarity	NPC25729
0.8333	Intermediate Similarity	NPC325860
0.8333	Intermediate Similarity	NPC295259
0.8333	Intermediate Similarity	NPC35216
0.8333	Intermediate Similarity	NPC184302
0.8322	Intermediate Similarity	NPC158784
0.8321	Intermediate Similarity	NPC470209
0.8321	Intermediate Similarity	NPC186889
0.8321	Intermediate Similarity	NPC473221
0.832	Intermediate Similarity	NPC69261
0.832	Intermediate Similarity	NPC33270
0.832	Intermediate Similarity	NPC474933

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC473134 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	307
0.1-0.2	997
0.2-0.3	1412
0.3-0.4	2783
0.4-0.5	1848
0.5-0.6	1044
0.6-0.7	637
0.7-0.8	118
0.8-0.85	9
0.85-0.9	4
0.9-0.95	2
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.9055	High Similarity	NPD4625	Phase 3
0.9032	High Similarity	NPD4749	Approved
0.8984	High Similarity	NPD4907	Clinical (unspecified phase)
0.8828	High Similarity	NPD4908	Phase 1
0.872	High Similarity	NPD1610	Phase 2
0.8692	High Similarity	NPD6410	Clinical (unspecified phase)
0.8382	Intermediate Similarity	NPD6100	Approved
0.8382	Intermediate Similarity	NPD6099	Approved
0.8254	Intermediate Similarity	NPD1548	Phase 1
0.8182	Intermediate Similarity	NPD1530	Clinical (unspecified phase)
0.812	Intermediate Similarity	NPD1529	Clinical (unspecified phase)
0.8106	Intermediate Similarity	NPD6917	Clinical (unspecified phase)
0.8092	Intermediate Similarity	NPD6696	Suspended
0.8045	Intermediate Similarity	NPD2861	Phase 2
0.8014	Intermediate Similarity	NPD6398	Clinical (unspecified phase)
0.7956	Intermediate Similarity	NPD5123	Clinical (unspecified phase)
0.7956	Intermediate Similarity	NPD5124	Phase 1
0.7953	Intermediate Similarity	NPD7340	Approved
0.7883	Intermediate Similarity	NPD1612	Clinical (unspecified phase)
0.7883	Intermediate Similarity	NPD1613	Approved
0.7874	Intermediate Similarity	NPD6671	Approved
0.7863	Intermediate Similarity	NPD422	Phase 1
0.7857	Intermediate Similarity	NPD1398	Phase 1
0.7823	Intermediate Similarity	NPD4750	Phase 3
0.7744	Intermediate Similarity	NPD3600	Clinical (unspecified phase)
0.7692	Intermediate Similarity	NPD5698	Clinical (unspecified phase)
0.7662	Intermediate Similarity	NPD6959	Discontinued
0.7639	Intermediate Similarity	NPD3750	Approved
0.7626	Intermediate Similarity	NPD4060	Phase 1
0.7566	Intermediate Similarity	NPD8443	Clinical (unspecified phase)
0.7551	Intermediate Similarity	NPD4378	Clinical (unspecified phase)
0.7551	Intermediate Similarity	NPD7447	Phase 1
0.7551	Intermediate Similarity	NPD7410	Clinical (unspecified phase)
0.7541	Intermediate Similarity	NPD846	Approved
0.7541	Intermediate Similarity	NPD940	Approved
0.7536	Intermediate Similarity	NPD3027	Phase 3
0.7518	Intermediate Similarity	NPD4097	Suspended
0.7517	Intermediate Similarity	NPD7466	Approved
0.7483	Intermediate Similarity	NPD7212	Phase 2
0.7483	Intermediate Similarity	NPD7213	Phase 3
0.7482	Intermediate Similarity	NPD6859	Clinical (unspecified phase)
0.7448	Intermediate Similarity	NPD6674	Discontinued
0.7444	Intermediate Similarity	NPD4626	Approved
0.7426	Intermediate Similarity	NPD8651	Approved
0.7386	Intermediate Similarity	NPD2393	Clinical (unspecified phase)
0.7386	Intermediate Similarity	NPD7819	Suspended
0.7372	Intermediate Similarity	NPD2797	Approved
0.7353	Intermediate Similarity	NPD5327	Phase 3
0.7324	Intermediate Similarity	NPD5735	Approved
0.7319	Intermediate Similarity	NPD4624	Approved
0.731	Intermediate Similarity	NPD1552	Clinical (unspecified phase)
0.731	Intermediate Similarity	NPD1550	Clinical (unspecified phase)
0.7292	Intermediate Similarity	NPD3748	Approved
0.729	Intermediate Similarity	NPD7768	Phase 2
0.7279	Intermediate Similarity	NPD3892	Phase 2
0.7273	Intermediate Similarity	NPD6353	Approved
0.726	Intermediate Similarity	NPD1549	Phase 2
0.726	Intermediate Similarity	NPD970	Clinical (unspecified phase)
0.7255	Intermediate Similarity	NPD7615	Clinical (unspecified phase)
0.7255	Intermediate Similarity	NPD7411	Suspended
0.7254	Intermediate Similarity	NPD2238	Phase 2
0.7254	Intermediate Similarity	NPD4140	Approved
0.7239	Intermediate Similarity	NPD5691	Approved
0.7236	Intermediate Similarity	NPD3020	Approved
0.7222	Intermediate Similarity	NPD2200	Suspended
0.7218	Intermediate Similarity	NPD7644	Approved
0.7211	Intermediate Similarity	NPD2800	Approved
0.72	Intermediate Similarity	NPD7004	Clinical (unspecified phase)
0.7194	Intermediate Similarity	NPD6584	Phase 3
0.719	Intermediate Similarity	NPD4380	Phase 2
0.7188	Intermediate Similarity	NPD2684	Approved
0.7177	Intermediate Similarity	NPD1242	Phase 1
0.7161	Intermediate Similarity	NPD1465	Phase 2
0.716	Intermediate Similarity	NPD5844	Phase 1
0.7153	Intermediate Similarity	NPD1608	Approved
0.7153	Intermediate Similarity	NPD1607	Approved
0.7153	Intermediate Similarity	NPD2232	Approved
0.7153	Intermediate Similarity	NPD2233	Approved
0.7153	Intermediate Similarity	NPD2230	Approved
0.7143	Intermediate Similarity	NPD3018	Phase 2
0.7143	Intermediate Similarity	NPD7037	Approved
0.7134	Intermediate Similarity	NPD7075	Discontinued
0.7134	Intermediate Similarity	NPD3749	Approved
0.7133	Intermediate Similarity	NPD3620	Phase 2
0.7133	Intermediate Similarity	NPD3619	Clinical (unspecified phase)
0.7133	Intermediate Similarity	NPD7041	Phase 2
0.7133	Intermediate Similarity	NPD1240	Approved
0.7133	Intermediate Similarity	NPD7040	Clinical (unspecified phase)
0.7123	Intermediate Similarity	NPD2796	Approved
0.7113	Intermediate Similarity	NPD3268	Approved
0.7103	Intermediate Similarity	NPD4536	Approved
0.7103	Intermediate Similarity	NPD4537	Clinical (unspecified phase)
0.7103	Intermediate Similarity	NPD4538	Approved
0.7101	Intermediate Similarity	NPD6583	Phase 3
0.7101	Intermediate Similarity	NPD6582	Phase 2
0.7099	Intermediate Similarity	NPD7635	Approved
0.7099	Intermediate Similarity	NPD7228	Approved
0.7099	Intermediate Similarity	NPD5535	Approved
0.7097	Intermediate Similarity	NPD1934	Approved
0.7097	Intermediate Similarity	NPD37	Approved
0.7089	Intermediate Similarity	NPD6234	Discontinued
0.7086	Intermediate Similarity	NPD2532	Approved
0.7086	Intermediate Similarity	NPD2534	Approved
0.7086	Intermediate Similarity	NPD2533	Approved
0.7081	Intermediate Similarity	NPD7852	Clinical (unspecified phase)
0.708	Intermediate Similarity	NPD1091	Approved
0.708	Intermediate Similarity	NPD1611	Approved
0.7075	Intermediate Similarity	NPD5763	Approved
0.7075	Intermediate Similarity	NPD5762	Approved
0.7071	Intermediate Similarity	NPD3691	Phase 2
0.7071	Intermediate Similarity	NPD3690	Phase 2
0.707	Intermediate Similarity	NPD4868	Clinical (unspecified phase)
0.707	Intermediate Similarity	NPD4965	Approved
0.707	Intermediate Similarity	NPD4966	Approved
0.707	Intermediate Similarity	NPD4967	Phase 2
0.7068	Intermediate Similarity	NPD7157	Approved
0.7067	Intermediate Similarity	NPD6667	Approved
0.7067	Intermediate Similarity	NPD6666	Approved
0.7063	Intermediate Similarity	NPD7229	Phase 3
0.7059	Intermediate Similarity	NPD2668	Approved
0.7059	Intermediate Similarity	NPD2667	Approved
0.7055	Intermediate Similarity	NPD1510	Phase 2
0.7051	Intermediate Similarity	NPD7096	Clinical (unspecified phase)
0.705	Intermediate Similarity	NPD3225	Approved
0.705	Intermediate Similarity	NPD1283	Approved
0.7045	Intermediate Similarity	NPD5283	Phase 1
0.7044	Intermediate Similarity	NPD5494	Approved
0.7042	Intermediate Similarity	NPD7095	Approved
0.7034	Intermediate Similarity	NPD2157	Approved
0.7031	Intermediate Similarity	NPD968	Approved
0.702	Intermediate Similarity	NPD1511	Approved
0.702	Intermediate Similarity	NPD7837	Clinical (unspecified phase)
0.7013	Intermediate Similarity	NPD5808	Clinical (unspecified phase)
0.6993	Remote Similarity	NPD6812	Clinical (unspecified phase)
0.6992	Remote Similarity	NPD2860	Approved
0.6992	Remote Similarity	NPD1809	Phase 2
0.6992	Remote Similarity	NPD2859	Approved
0.6986	Remote Similarity	NPD7097	Phase 1
0.6985	Remote Similarity	NPD1651	Approved
0.698	Remote Similarity	NPD1652	Phase 2
0.698	Remote Similarity	NPD7421	Clinical (unspecified phase)
0.6978	Remote Similarity	NPD2983	Phase 2
0.6978	Remote Similarity	NPD2982	Phase 2
0.6977	Remote Similarity	NPD2342	Discontinued
0.6977	Remote Similarity	NPD290	Approved
0.6975	Remote Similarity	NPD6166	Phase 2
0.6975	Remote Similarity	NPD6168	Clinical (unspecified phase)
0.6975	Remote Similarity	NPD6167	Clinical (unspecified phase)
0.697	Remote Similarity	NPD7843	Approved
0.6967	Remote Similarity	NPD845	Approved
0.6959	Remote Similarity	NPD7030	Discontinued
0.6957	Remote Similarity	NPD6232	Discontinued
0.6954	Remote Similarity	NPD5058	Phase 3
0.6951	Remote Similarity	NPD7804	Clinical (unspecified phase)
0.6944	Remote Similarity	NPD8032	Phase 2
0.6943	Remote Similarity	NPD5929	Approved
0.6943	Remote Similarity	NPD2801	Approved
0.6939	Remote Similarity	NPD6028	Clinical (unspecified phase)
0.6939	Remote Similarity	NPD5588	Approved
0.6939	Remote Similarity	NPD7033	Discontinued
0.6939	Remote Similarity	NPD4108	Discontinued
0.6939	Remote Similarity	NPD5960	Phase 3
0.6939	Remote Similarity	NPD2799	Discontinued
0.6939	Remote Similarity	NPD6029	Clinical (unspecified phase)
0.6935	Remote Similarity	NPD288	Approved
0.6934	Remote Similarity	NPD17	Approved
0.6934	Remote Similarity	NPD1778	Approved
0.6934	Remote Similarity	NPD4059	Approved
0.6933	Remote Similarity	NPD7473	Discontinued
0.6933	Remote Similarity	NPD7003	Approved
0.6928	Remote Similarity	NPD1512	Approved
0.6923	Remote Similarity	NPD6072	Discontinued
0.6918	Remote Similarity	NPD6651	Approved
0.6918	Remote Similarity	NPD4381	Clinical (unspecified phase)
0.6913	Remote Similarity	NPD2424	Discontinued
0.6912	Remote Similarity	NPD7741	Discontinued
0.6912	Remote Similarity	NPD3091	Approved
0.6911	Remote Similarity	NPD2934	Approved
0.6911	Remote Similarity	NPD2933	Approved
0.6906	Remote Similarity	NPD2981	Phase 2
0.6894	Remote Similarity	NPD7199	Phase 2
0.6894	Remote Similarity	NPD228	Approved
0.6892	Remote Similarity	NPD2935	Discontinued
0.6892	Remote Similarity	NPD4476	Approved
0.6892	Remote Similarity	NPD4477	Approved
0.6892	Remote Similarity	NPD1551	Phase 2
0.6879	Remote Similarity	NPD6801	Discontinued
0.6875	Remote Similarity	NPD7294	Phase 1
0.687	Remote Similarity	NPD5451	Approved
0.687	Remote Similarity	NPD3022	Approved
0.687	Remote Similarity	NPD3021	Approved
0.6861	Remote Similarity	NPD3444	Approved
0.6861	Remote Similarity	NPD3445	Approved
0.6861	Remote Similarity	NPD3443	Approved
0.6857	Remote Similarity	NPD1669	Approved
0.6855	Remote Similarity	NPD844	Approved
0.6853	Remote Similarity	NPD1008	Clinical (unspecified phase)
0.6849	Remote Similarity	NPD6355	Discontinued
0.6846	Remote Similarity	NPD6002	Phase 3
0.6846	Remote Similarity	NPD2346	Discontinued

Structure

NPC473134 OpenBabel07101718242D 22 25 0 0 1 0 0 0 0 0999 V2000 -3.3198 -2.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1497 -1.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3033 -2.2180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2108 -2.8983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7747 -0.3184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4863 -0.6776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1240 -0.2614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6599 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8299 -1.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3198 -1.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.9167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.5415 -1.4142 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.4898 -0.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8299 -0.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4898 -1.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8299 -1.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6599 -1.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6035 -2.0241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8299 -0.4792 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.3198 -0.0000 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 -1.1627 -2.2753 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 2 10 1 0 0 0 0 3 18 1 0 0 0 0 4 18 1 0 0 0 0 5 19 1 0 0 0 0 6 7 1 0 0 0 0 6 12 1 0 0 0 0 7 19 1 0 0 0 0 8 13 2 0 0 0 0 8 14 1 0 0 0 0 9 11 1 0 0 0 0 9 19 1 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 11 16 1 0 0 0 0 12 18 1 0 0 0 0 13 15 1 0 0 0 0 13 20 1 0 0 0 0 14 16 2 0 0 0 0 14 21 1 0 0 0 0 15 17 2 0 0 0 0 16 17 1 0 0 0 0 17 22 1 0 0 0 0 18 22 1 0 0 0 0 19 21 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID
ChEMBL	CHEMBL3613753
ZINC

Physicochemical Properties

Molecular Weight:	302.19
ALogP:	0.7863
MLogP:	3.22
XLogP:	4.062
# Rotatable Bonds:	7
Polar Surface Area:	38.69
# H-Bond Aceptor:	0
# H-Bond Donor:	1
# Rings:	4
# Heavy Atoms:	22

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