NPASS Natural Product

Natural Product: NPC161203

Natural Product ID:	NPC161203
Common Name:	Pacharin
IUPAC Name:	3-methoxy-2-methylbenzo[b][1]benzoxepine-1,7-diol
Synonyms:	Pacharin
Molecular Formula:	C16H14O4
Standard InCHIKey:	OZKUMALKRPIULU-UHFFFAOYSA-N
Standard InCHI:	InChI=1S/C16H14O4/c1-9-14(19-2)8-10-6-7-11-12(17)4-3-5-13(11)20-16(10)15(9)18/h3-8,17-18H,1-2H3
Canonical SMILES:	COc1cc2C=Cc3c(Oc2c(c1C)O)cccc3O
First Find Year:
Max Developmental Stage:
Synthetic Gene Cluster:	;

Species Source

Organism ID	Organism Name	Taxonomy Level	Family	SuperKingdom	Reference
NPO5635	Bauhinia purpurea	Species	Fabaceae	Eukaryota	UNPD*
NPO1490	Goldfussia yunnanensis	NA	NA	NA	UNPD*
NPO6828	Purpura aperta	Species	Muricidae	Eukaryota	UNPD*
NPO809	Leitneria floridana	Species	Simaroubaceae	Eukaryota	UNPD*
NPO27517	Crinum latifolium	Species	Amaryllidaceae	Eukaryota	UNPD*
NPO8977	Notholaena aschenborniana	Species	Pteridaceae	Eukaryota	UNPD*
NPO2455	Thermopsis mollis	Species	Fabaceae	Eukaryota	UNPD*
NPO9881	Petrosia hebes	Species	Petrosiidae	Eukaryota	UNPD*
NPO3357	Alnus cordata	Species	Betulaceae	Eukaryota	UNPD*
NPO8807	Laurentia longiflora	NA	NA	NA	UNPD*
NPO4628	Aloe deltoideodonta	Species	Asphodelaceae	Eukaryota	UNPD*
NPO9608	Lepraria citrina	Species	Stereocaulaceae	Eukaryota	UNPD*
NPO25475	Syphonota geographica	Species	Aplysiidae	Eukaryota	UNPD*
NPO4382	Elmerrillia papuana	NA	NA	NA	UNPD*

Biological Activity

Activity Type	# Activity
GI50	7

Activity Type	# Activity
Cell Line	7

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT168	Cell Line	P388	Mus musculus	GI50	=	15.5	ug/ml	16562827
NPT1081	Cell Line	BXPC-3	Homo sapiens	GI50	=	4.3	ug/ml	16562827
NPT83	Cell Line	MCF7	Homo sapiens	GI50	=	2.3	ug/ml	16562827
NPT395	Cell Line	SF-268	Homo sapiens	GI50	=	3.1	ug/ml	16562827
NPT397	Cell Line	NCI-H460	Homo sapiens	GI50	=	4.2	ug/ml	16562827
NPT575	Cell Line	KM-20L2	Homo sapiens	GI50	>	10	ug/ml	16562827
NPT90	Cell Line	DU-145	Homo sapiens	GI50	=	3.3	ug/ml	16562827

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 NPC161203 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	293
0.1-0.2	1372
0.2-0.3	3724
0.3-0.4	9344
0.4-0.5	3148
0.5-0.6	3069
0.6-0.7	5303
0.7-0.8	3717
0.8-0.85	593
0.85-0.9	283
0.9-0.95	37
0.95-1	6

Similarity Score	Similarity Level	Natural Product ID
0.9921	High Similarity	NPC94236
0.9921	High Similarity	NPC37196
0.984	High Similarity	NPC229231
0.9612	High Similarity	NPC255147
0.9612	High Similarity	NPC281521
0.9612	High Similarity	NPC201357
0.9457	High Similarity	NPC269528
0.9444	High Similarity	NPC216836
0.9375	High Similarity	NPC214860
0.9302	High Similarity	NPC82503
0.9297	High Similarity	NPC45824
0.9242	High Similarity	NPC476698
0.9219	High Similarity	NPC63179
0.9219	High Similarity	NPC266691
0.9167	High Similarity	NPC472337
0.9167	High Similarity	NPC134968
0.916	High Similarity	NPC36661
0.9147	High Similarity	NPC58164
0.9147	High Similarity	NPC10225
0.9141	High Similarity	NPC236760
0.9141	High Similarity	NPC50368
0.9127	High Similarity	NPC95168
0.9098	High Similarity	NPC472334
0.9098	High Similarity	NPC472336
0.9091	High Similarity	NPC106215
0.9084	High Similarity	NPC202762
0.9084	High Similarity	NPC86655
0.9077	High Similarity	NPC299221
0.9077	High Similarity	NPC51840
0.9077	High Similarity	NPC234488
0.9077	High Similarity	NPC220935
0.9077	High Similarity	NPC311680
0.903	High Similarity	NPC102904
0.903	High Similarity	NPC103976
0.903	High Similarity	NPC326797
0.903	High Similarity	NPC107551
0.903	High Similarity	NPC276490
0.903	High Similarity	NPC176051
0.903	High Similarity	NPC474282
0.9023	High Similarity	NPC283009
0.9023	High Similarity	NPC261873
0.9015	High Similarity	NPC168059
0.9015	High Similarity	NPC229442
0.8992	High Similarity	NPC210355
0.8984	High Similarity	NPC82483
0.8984	High Similarity	NPC265483
0.8984	High Similarity	NPC299584
0.8978	High Similarity	NPC477616
0.8968	High Similarity	NPC75713
0.8963	High Similarity	NPC127218
0.8963	High Similarity	NPC319647
0.8963	High Similarity	NPC25966
0.8963	High Similarity	NPC245207
0.8947	High Similarity	NPC103967
0.8947	High Similarity	NPC310854
0.8939	High Similarity	NPC6451
0.8939	High Similarity	NPC127624
0.8931	High Similarity	NPC91291
0.8931	High Similarity	NPC474481
0.8923	High Similarity	NPC19694
0.8915	High Similarity	NPC103823
0.8915	High Similarity	NPC18924
0.8915	High Similarity	NPC112596
0.8915	High Similarity	NPC44748
0.8915	High Similarity	NPC78974
0.8915	High Similarity	NPC28730
0.8915	High Similarity	NPC214406
0.8915	High Similarity	NPC223136
0.8915	High Similarity	NPC476006
0.8906	High Similarity	NPC183446
0.8897	High Similarity	NPC160283
0.8897	High Similarity	NPC254759
0.8889	High Similarity	NPC73535
0.8889	High Similarity	NPC6262
0.8889	High Similarity	NPC90615
0.8889	High Similarity	NPC25111
0.8889	High Similarity	NPC272157
0.8889	High Similarity	NPC201145
0.8881	High Similarity	NPC112246
0.8881	High Similarity	NPC195022
0.8881	High Similarity	NPC474206
0.8881	High Similarity	NPC121812
0.8881	High Similarity	NPC112939
0.8881	High Similarity	NPC470356
0.8881	High Similarity	NPC94750
0.8872	High Similarity	NPC475840
0.8864	High Similarity	NPC45715
0.8864	High Similarity	NPC474356
0.8864	High Similarity	NPC12275
0.8864	High Similarity	NPC472597
0.8864	High Similarity	NPC232275
0.8846	High Similarity	NPC74817
0.8846	High Similarity	NPC246620
0.8846	High Similarity	NPC124452
0.8846	High Similarity	NPC282000
0.8846	High Similarity	NPC169474
0.8846	High Similarity	NPC82679
0.8846	High Similarity	NPC293054
0.8846	High Similarity	NPC236791
0.8846	High Similarity	NPC159968
0.8846	High Similarity	NPC324112
0.8837	High Similarity	NPC234400
0.8837	High Similarity	NPC60885
0.8832	High Similarity	NPC471389
0.8828	High Similarity	NPC121115
0.8824	High Similarity	NPC292882
0.8824	High Similarity	NPC19869
0.8819	High Similarity	NPC145780
0.8815	High Similarity	NPC162659
0.8815	High Similarity	NPC300846
0.8815	High Similarity	NPC227503
0.8815	High Similarity	NPC16435
0.8815	High Similarity	NPC474639
0.8815	High Similarity	NPC265433
0.8815	High Similarity	NPC476639
0.8815	High Similarity	NPC173660
0.8815	High Similarity	NPC230734
0.8815	High Similarity	NPC306441
0.8815	High Similarity	NPC114155
0.8815	High Similarity	NPC270456
0.8815	High Similarity	NPC248727
0.8806	High Similarity	NPC317380
0.8797	High Similarity	NPC160991
0.8797	High Similarity	NPC184447
0.8797	High Similarity	NPC16208
0.8797	High Similarity	NPC218884
0.8797	High Similarity	NPC35932
0.8797	High Similarity	NPC7903
0.8788	High Similarity	NPC192687
0.8788	High Similarity	NPC224157
0.8788	High Similarity	NPC472338
0.8779	High Similarity	NPC226331
0.8779	High Similarity	NPC46274
0.8769	High Similarity	NPC245060
0.8768	High Similarity	NPC472332
0.8768	High Similarity	NPC107161
0.8768	High Similarity	NPC472335
0.876	High Similarity	NPC122792
0.876	High Similarity	NPC228972
0.8759	High Similarity	NPC295719
0.8759	High Similarity	NPC259519
0.8759	High Similarity	NPC34431
0.8759	High Similarity	NPC73505
0.8759	High Similarity	NPC165026
0.875	High Similarity	NPC246967
0.875	High Similarity	NPC474864
0.875	High Similarity	NPC211549
0.875	High Similarity	NPC262253
0.875	High Similarity	NPC135414
0.875	High Similarity	NPC473411
0.875	High Similarity	NPC71579
0.8741	High Similarity	NPC151224
0.8741	High Similarity	NPC61946
0.8741	High Similarity	NPC234333
0.8741	High Similarity	NPC47398
0.8741	High Similarity	NPC111655
0.8741	High Similarity	NPC252095
0.8741	High Similarity	NPC260898
0.8731	High Similarity	NPC474810
0.8731	High Similarity	NPC11060
0.8723	High Similarity	NPC178129
0.8712	High Similarity	NPC3439
0.8712	High Similarity	NPC222004
0.8712	High Similarity	NPC202582
0.8712	High Similarity	NPC285339
0.8712	High Similarity	NPC210623
0.8712	High Similarity	NPC470258
0.8712	High Similarity	NPC273295
0.8712	High Similarity	NPC226788
0.8712	High Similarity	NPC190144
0.8712	High Similarity	NPC218856
0.8712	High Similarity	NPC190629
0.8705	High Similarity	NPC91492
0.8705	High Similarity	NPC34245
0.8705	High Similarity	NPC6568
0.8705	High Similarity	NPC256555
0.8705	High Similarity	NPC7439
0.8705	High Similarity	NPC110067
0.8702	High Similarity	NPC250432
0.8702	High Similarity	NPC266555
0.8702	High Similarity	NPC470699
0.8702	High Similarity	NPC5447
0.8696	High Similarity	NPC247291
0.8696	High Similarity	NPC311530
0.8692	High Similarity	NPC233410
0.8692	High Similarity	NPC116907
0.8692	High Similarity	NPC57490
0.8692	High Similarity	NPC117214
0.8692	High Similarity	NPC193544
0.8692	High Similarity	NPC208950
0.8692	High Similarity	NPC221077
0.8692	High Similarity	NPC475169
0.8692	High Similarity	NPC17943
0.8692	High Similarity	NPC105925
0.8692	High Similarity	NPC472093
0.8692	High Similarity	NPC203133
0.8692	High Similarity	NPC251855
0.8692	High Similarity	NPC298757
0.8686	High Similarity	NPC232164
0.8686	High Similarity	NPC473739

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC161203 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	962
0.2-0.3	1794
0.3-0.4	2865
0.4-0.5	1614
0.5-0.6	956
0.6-0.7	571
0.7-0.8	91
0.8-0.85	3
0.85-0.9	5
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.8779	High Similarity	NPD1529	Clinical (unspecified phase)
0.8702	High Similarity	NPD1530	Clinical (unspecified phase)
0.8657	High Similarity	NPD1612	Clinical (unspecified phase)
0.8657	High Similarity	NPD1613	Approved
0.8571	High Similarity	NPD3027	Phase 3
0.8067	Intermediate Similarity	NPD2801	Approved
0.8029	Intermediate Similarity	NPD4625	Phase 3
0.8015	Intermediate Similarity	NPD3018	Phase 2
0.7985	Intermediate Similarity	NPD4749	Approved
0.7939	Intermediate Similarity	NPD1548	Phase 1
0.7881	Intermediate Similarity	NPD1934	Approved
0.7852	Intermediate Similarity	NPD2983	Phase 2
0.7852	Intermediate Similarity	NPD1653	Approved
0.7852	Intermediate Similarity	NPD2982	Phase 2
0.7836	Intermediate Similarity	NPD1610	Phase 2
0.7826	Intermediate Similarity	NPD4908	Phase 1
0.7812	Intermediate Similarity	NPD228	Approved
0.7778	Intermediate Similarity	NPD2981	Phase 2
0.7714	Intermediate Similarity	NPD4907	Clinical (unspecified phase)
0.7714	Intermediate Similarity	NPD6410	Clinical (unspecified phase)
0.771	Intermediate Similarity	NPD6671	Approved
0.7703	Intermediate Similarity	NPD1511	Approved
0.7698	Intermediate Similarity	NPD968	Approved
0.7626	Intermediate Similarity	NPD2861	Phase 2
0.7613	Intermediate Similarity	NPD3882	Suspended
0.7606	Intermediate Similarity	NPD1558	Phase 1
0.76	Intermediate Similarity	NPD1512	Approved
0.7597	Intermediate Similarity	NPD2393	Clinical (unspecified phase)
0.7591	Intermediate Similarity	NPD4379	Clinical (unspecified phase)
0.7574	Intermediate Similarity	NPD1091	Approved
0.75	Intermediate Similarity	NPD290	Approved
0.75	Intermediate Similarity	NPD3496	Discontinued
0.7483	Intermediate Similarity	NPD1940	Clinical (unspecified phase)
0.7445	Intermediate Similarity	NPD422	Phase 1
0.7429	Intermediate Similarity	NPD6917	Clinical (unspecified phase)
0.7424	Intermediate Similarity	NPD5283	Phase 1
0.7415	Intermediate Similarity	NPD3540	Phase 1
0.741	Intermediate Similarity	NPD6696	Suspended
0.7403	Intermediate Similarity	NPD4675	Approved
0.7403	Intermediate Similarity	NPD4678	Approved
0.7391	Intermediate Similarity	NPD6167	Clinical (unspecified phase)
0.7391	Intermediate Similarity	NPD6168	Clinical (unspecified phase)
0.7391	Intermediate Similarity	NPD6166	Phase 2
0.7389	Intermediate Similarity	NPD4868	Clinical (unspecified phase)
0.7362	Intermediate Similarity	NPD5844	Phase 1
0.7347	Intermediate Similarity	NPD6100	Approved
0.7347	Intermediate Similarity	NPD3539	Phase 1
0.7347	Intermediate Similarity	NPD6099	Approved
0.7347	Intermediate Similarity	NPD1551	Phase 2
0.7343	Intermediate Similarity	NPD6859	Clinical (unspecified phase)
0.7325	Intermediate Similarity	NPD3817	Phase 2
0.7315	Intermediate Similarity	NPD5698	Clinical (unspecified phase)
0.7296	Intermediate Similarity	NPD6234	Discontinued
0.7256	Intermediate Similarity	NPD7054	Approved
0.7252	Intermediate Similarity	NPD4750	Phase 3
0.7241	Intermediate Similarity	NPD4060	Phase 1
0.7212	Intermediate Similarity	NPD7472	Approved
0.7212	Intermediate Similarity	NPD7074	Phase 3
0.72	Intermediate Similarity	NPD6674	Discontinued
0.7195	Intermediate Similarity	NPD3818	Discontinued
0.7194	Intermediate Similarity	NPD1611	Approved
0.7192	Intermediate Similarity	NPD447	Suspended
0.7186	Intermediate Similarity	NPD4338	Clinical (unspecified phase)
0.7174	Intermediate Similarity	NPD1778	Approved
0.7165	Intermediate Similarity	NPD1242	Phase 1
0.716	Intermediate Similarity	NPD6232	Discontinued
0.7152	Intermediate Similarity	NPD1465	Phase 2
0.7152	Intermediate Similarity	NPD6398	Clinical (unspecified phase)
0.7124	Intermediate Similarity	NPD4357	Discontinued
0.7121	Intermediate Similarity	NPD3021	Approved
0.7121	Intermediate Similarity	NPD3022	Approved
0.7109	Intermediate Similarity	NPD291	Approved
0.7107	Intermediate Similarity	NPD5402	Approved
0.7105	Intermediate Similarity	NPD5307	Clinical (unspecified phase)
0.7099	Intermediate Similarity	NPD7199	Phase 2
0.7089	Intermediate Similarity	NPD37	Approved
0.708	Intermediate Similarity	NPD5536	Phase 2
0.7078	Intermediate Similarity	NPD4123	Phase 3
0.7078	Intermediate Similarity	NPD4378	Clinical (unspecified phase)
0.7075	Intermediate Similarity	NPD230	Phase 1
0.7071	Intermediate Similarity	NPD3705	Approved
0.7066	Intermediate Similarity	NPD6797	Phase 2
0.7063	Intermediate Similarity	NPD4967	Phase 2
0.7063	Intermediate Similarity	NPD4965	Approved
0.7063	Intermediate Similarity	NPD4966	Approved
0.7045	Intermediate Similarity	NPD2684	Approved
0.7042	Intermediate Similarity	NPD3225	Approved
0.7042	Intermediate Similarity	NPD2922	Phase 1
0.704	Intermediate Similarity	NPD9296	Approved
0.7039	Intermediate Similarity	NPD3892	Phase 2
0.7037	Intermediate Similarity	NPD5494	Approved
0.7037	Intermediate Similarity	NPD1398	Phase 1
0.703	Intermediate Similarity	NPD7473	Discontinued
0.7027	Intermediate Similarity	NPD1607	Approved
0.7024	Intermediate Similarity	NPD7251	Discontinued
0.7012	Intermediate Similarity	NPD7184	Clinical (unspecified phase)
0.7007	Intermediate Similarity	NPD7340	Approved
0.7007	Intermediate Similarity	NPD3620	Phase 2
0.7007	Intermediate Similarity	NPD3619	Clinical (unspecified phase)
0.6993	Remote Similarity	NPD2219	Phase 1
0.6993	Remote Similarity	NPD2677	Approved
0.6988	Remote Similarity	NPD7228	Approved
0.6982	Remote Similarity	NPD7549	Discontinued
0.6982	Remote Similarity	NPD7808	Phase 3
0.6974	Remote Similarity	NPD5177	Phase 3
0.6974	Remote Similarity	NPD1652	Phase 2
0.6972	Remote Similarity	NPD3600	Clinical (unspecified phase)
0.6968	Remote Similarity	NPD7447	Phase 1
0.6964	Remote Similarity	NPD7993	Clinical (unspecified phase)
0.6963	Remote Similarity	NPD7843	Approved
0.6954	Remote Similarity	NPD5763	Approved
0.6954	Remote Similarity	NPD1550	Clinical (unspecified phase)
0.6954	Remote Similarity	NPD7266	Discontinued
0.6954	Remote Similarity	NPD5762	Approved
0.6954	Remote Similarity	NPD1552	Clinical (unspecified phase)
0.6939	Remote Similarity	NPD6233	Phase 2
0.6934	Remote Similarity	NPD7157	Approved
0.6928	Remote Similarity	NPD3750	Approved
0.6923	Remote Similarity	NPD5261	Clinical (unspecified phase)
0.6923	Remote Similarity	NPD8651	Approved
0.6914	Remote Similarity	NPD7975	Clinical (unspecified phase)
0.6908	Remote Similarity	NPD1549	Phase 2
0.6903	Remote Similarity	NPD7213	Phase 3
0.6903	Remote Similarity	NPD6799	Approved
0.6903	Remote Similarity	NPD1774	Approved
0.6903	Remote Similarity	NPD7212	Phase 2
0.6901	Remote Similarity	NPD1608	Approved
0.6901	Remote Similarity	NPD8054	Approved
0.6901	Remote Similarity	NPD8053	Approved
0.6899	Remote Similarity	NPD6055	Clinical (unspecified phase)
0.6894	Remote Similarity	NPD6374	Clinical (unspecified phase)
0.6892	Remote Similarity	NPD1240	Approved
0.6887	Remote Similarity	NPD2935	Discontinued
0.6883	Remote Similarity	NPD6190	Approved
0.6867	Remote Similarity	NPD4538	Approved
0.6867	Remote Similarity	NPD4537	Clinical (unspecified phase)
0.6867	Remote Similarity	NPD4536	Approved
0.6863	Remote Similarity	NPD3060	Approved
0.6859	Remote Similarity	NPD7004	Clinical (unspecified phase)
0.6857	Remote Similarity	NPD1357	Approved
0.6855	Remote Similarity	NPD6599	Discontinued
0.6855	Remote Similarity	NPD4380	Phase 2
0.6849	Remote Similarity	NPD5752	Clinical (unspecified phase)
0.6846	Remote Similarity	NPD1933	Approved
0.6846	Remote Similarity	NPD846	Approved
0.6846	Remote Similarity	NPD940	Approved
0.6842	Remote Similarity	NPD2029	Clinical (unspecified phase)
0.6839	Remote Similarity	NPD7124	Phase 2
0.6838	Remote Similarity	NPD7635	Approved
0.6831	Remote Similarity	NPD1535	Discovery
0.6828	Remote Similarity	NPD6584	Phase 3
0.6824	Remote Similarity	NPD6559	Discontinued
0.6824	Remote Similarity	NPD2674	Phase 3
0.6821	Remote Similarity	NPD1510	Phase 2
0.6818	Remote Similarity	NPD4628	Phase 3
0.6818	Remote Similarity	NPD1878	Clinical (unspecified phase)
0.681	Remote Similarity	NPD4381	Clinical (unspecified phase)
0.681	Remote Similarity	NPD4055	Discovery
0.681	Remote Similarity	NPD7075	Discontinued
0.6803	Remote Similarity	NPD7095	Approved
0.6797	Remote Similarity	NPD970	Clinical (unspecified phase)
0.6795	Remote Similarity	NPD6143	Clinical (unspecified phase)
0.6792	Remote Similarity	NPD4005	Discontinued
0.6788	Remote Similarity	NPD1247	Approved
0.6783	Remote Similarity	NPD2235	Phase 2
0.6783	Remote Similarity	NPD2231	Phase 2
0.6783	Remote Similarity	NPD1481	Phase 2
0.6781	Remote Similarity	NPD9494	Approved
0.6779	Remote Similarity	NPD943	Approved
0.6776	Remote Similarity	NPD6032	Approved
0.6772	Remote Similarity	NPD5403	Approved
0.6769	Remote Similarity	NPD289	Clinical (unspecified phase)
0.6759	Remote Similarity	NPD2797	Approved
0.6759	Remote Similarity	NPD1203	Approved
0.6757	Remote Similarity	NPD3145	Approved
0.6757	Remote Similarity	NPD5109	Approved
0.6757	Remote Similarity	NPD3144	Approved
0.6757	Remote Similarity	NPD5111	Phase 2
0.6757	Remote Similarity	NPD5110	Phase 2
0.6757	Remote Similarity	NPD6798	Discontinued
0.6753	Remote Similarity	NPD4237	Approved
0.6753	Remote Similarity	NPD4162	Approved
0.6753	Remote Similarity	NPD4236	Phase 3
0.6752	Remote Similarity	NPD1754	Clinical (unspecified phase)
0.6752	Remote Similarity	NPD5401	Approved
0.6747	Remote Similarity	NPD3787	Discontinued
0.6738	Remote Similarity	NPD5585	Approved
0.6733	Remote Similarity	NPD6355	Discontinued
0.6733	Remote Similarity	NPD5124	Phase 1
0.6733	Remote Similarity	NPD5123	Clinical (unspecified phase)
0.6732	Remote Similarity	NPD1375	Discontinued
0.6728	Remote Similarity	NPD7096	Clinical (unspecified phase)
0.6728	Remote Similarity	NPD5929	Approved
0.6727	Remote Similarity	NPD5677	Discontinued
0.6719	Remote Similarity	NPD844	Approved
0.6714	Remote Similarity	NPD1408	Clinical (unspecified phase)
0.6711	Remote Similarity	NPD5960	Phase 3
0.6711	Remote Similarity	NPD6028	Clinical (unspecified phase)
0.6711	Remote Similarity	NPD7033	Discontinued
0.6711	Remote Similarity	NPD6029	Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID	11851219
ChEMBL	CHEMBL482048
ZINC

Physicochemical Properties

Molecular Weight:	270.09
ALogP:	-0.0167
MLogP:	2.78
XLogP:	2.526
# Rotatable Bonds:	5
Polar Surface Area:	58.92
# H-Bond Aceptor:	0
# H-Bond Donor:	2
# Rings:	3
# Heavy Atoms:	20

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