NPASS Natural Product

Natural Product: NPC471188

Natural Product ID:	NPC471188
Common Name:	15-Hydroxy-16-Norabieta-8,11,13-Trien-3-One
IUPAC Name:	(4aS,10aR)-7-(1-hydroxyethyl)-1,1,4a-trimethyl-4,9,10,10a-tetrahydro-3H-phenanthren-2-one
Synonyms:
Molecular Formula:	C19H26O2
Standard InCHIKey:	PMCHCEBDFNHJBI-KIPKWITQSA-N
Standard InCHI:	InChI=1S/C19H26O2/c1-12(20)13-5-7-15-14(11-13)6-8-16-18(2,3)17(21)9-10-19(15,16)4/h5,7,11-12,16,20H,6,8-10H2,1-4H3/t12?,16-,19+/m0/s1
Canonical SMILES:	O=C1CC[C@]2([C@H](C1(C)C)CCc1c2ccc(c1)C(O)C)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
NPO32493	euonymus lutchuensis	Species	Celastraceae	Eukaryota				PMID[23755851]

Biological Activity

Activity Type	# Activity
IC50	3

Activity Type	# Activity
Cell Line	3

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT393	Cell Line	HCT-116	Homo sapiens	IC50	<	5	ug/ml	10.6019/CHEMBL1201861
NPT168	Cell Line	P388	Mus musculus	IC50	<	5	ug/ml	18343122
NPT116	Cell Line	HL-60	Homo sapiens	IC50	<	5	ug/ml	PubChem BioAssay data set

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 NPC471188 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	152
0.1-0.2	748
0.2-0.3	1347
0.3-0.4	3328
0.4-0.5	7540
0.5-0.6	12024
0.6-0.7	4941
0.7-0.8	708
0.8-0.85	71
0.85-0.9	21
0.9-0.95	9
0.95-1	0

Similarity Score	Similarity Level	Natural Product ID
0.9417	High Similarity	NPC471186
0.9182	High Similarity	NPC212891
0.9159	High Similarity	NPC95126
0.9159	High Similarity	NPC475002
0.9074	High Similarity	NPC471189
0.9038	High Similarity	NPC19856
0.9027	High Similarity	NPC234337
0.9027	High Similarity	NPC133389
0.9027	High Similarity	NPC183339
0.8962	High Similarity	NPC142326
0.8962	High Similarity	NPC94751
0.8879	High Similarity	NPC27252
0.8879	High Similarity	NPC472979
0.887	High Similarity	NPC369
0.887	High Similarity	NPC293831
0.8868	High Similarity	NPC243601
0.8829	High Similarity	NPC221275
0.8796	High Similarity	NPC472982
0.8796	High Similarity	NPC64642
0.8796	High Similarity	NPC149455
0.8783	High Similarity	NPC472981
0.8761	High Similarity	NPC45794
0.8704	High Similarity	NPC472980
0.8644	High Similarity	NPC181334
0.8636	High Similarity	NPC265513
0.8571	High Similarity	NPC196673
0.8559	High Similarity	NPC471187
0.8509	High Similarity	NPC242764
0.8509	High Similarity	NPC105141
0.85	High Similarity	NPC253681
0.8491	Intermediate Similarity	NPC133809
0.8491	Intermediate Similarity	NPC469481
0.8491	Intermediate Similarity	NPC136810
0.8491	Intermediate Similarity	NPC128248
0.8448	Intermediate Similarity	NPC476645
0.8417	Intermediate Similarity	NPC87985
0.8403	Intermediate Similarity	NPC198014
0.8403	Intermediate Similarity	NPC85511
0.839	Intermediate Similarity	NPC167323
0.839	Intermediate Similarity	NPC269923
0.8333	Intermediate Similarity	NPC93181
0.8333	Intermediate Similarity	NPC215419
0.8319	Intermediate Similarity	NPC182333
0.8319	Intermediate Similarity	NPC11250
0.8319	Intermediate Similarity	NPC273336
0.8319	Intermediate Similarity	NPC470253
0.8318	Intermediate Similarity	NPC225079
0.8306	Intermediate Similarity	NPC476847
0.8305	Intermediate Similarity	NPC259703
0.8305	Intermediate Similarity	NPC32322
0.8304	Intermediate Similarity	NPC474057
0.8279	Intermediate Similarity	NPC51448
0.8279	Intermediate Similarity	NPC30491
0.8279	Intermediate Similarity	NPC262936
0.8279	Intermediate Similarity	NPC115797
0.8252	Intermediate Similarity	NPC220596
0.825	Intermediate Similarity	NPC77691
0.8235	Intermediate Similarity	NPC253627
0.8224	Intermediate Similarity	NPC221825
0.822	Intermediate Similarity	NPC190501
0.822	Intermediate Similarity	NPC318552
0.8208	Intermediate Similarity	NPC324602
0.8205	Intermediate Similarity	NPC254233
0.819	Intermediate Similarity	NPC92
0.819	Intermediate Similarity	NPC472862
0.819	Intermediate Similarity	NPC469663
0.8167	Intermediate Similarity	NPC176208
0.8142	Intermediate Similarity	NPC133308
0.8136	Intermediate Similarity	NPC42657
0.812	Intermediate Similarity	NPC222968
0.812	Intermediate Similarity	NPC80605
0.812	Intermediate Similarity	NPC323440
0.8115	Intermediate Similarity	NPC137750
0.8103	Intermediate Similarity	NPC9274
0.8091	Intermediate Similarity	NPC56168
0.8087	Intermediate Similarity	NPC471721
0.8083	Intermediate Similarity	NPC249340
0.8083	Intermediate Similarity	NPC162935
0.8083	Intermediate Similarity	NPC154696
0.807	Intermediate Similarity	NPC66208
0.8058	Intermediate Similarity	NPC298115
0.8049	Intermediate Similarity	NPC5486
0.8049	Intermediate Similarity	NPC71610
0.8037	Intermediate Similarity	NPC226041
0.8037	Intermediate Similarity	NPC289201
0.8036	Intermediate Similarity	NPC211439
0.8036	Intermediate Similarity	NPC112903
0.8034	Intermediate Similarity	NPC477137
0.8034	Intermediate Similarity	NPC308311
0.8034	Intermediate Similarity	NPC38893
0.8034	Intermediate Similarity	NPC219112
0.8031	Intermediate Similarity	NPC78307
0.8019	Intermediate Similarity	NPC206764
0.8018	Intermediate Similarity	NPC471133
0.8017	Intermediate Similarity	NPC121168
0.8017	Intermediate Similarity	NPC186933
0.8016	Intermediate Similarity	NPC471851
0.8	Intermediate Similarity	NPC128645
0.8	Intermediate Similarity	NPC143768
0.8	Intermediate Similarity	NPC241001
0.8	Intermediate Similarity	NPC93287
0.7982	Intermediate Similarity	NPC289117
0.7969	Intermediate Similarity	NPC474659
0.7969	Intermediate Similarity	NPC23894
0.7967	Intermediate Similarity	NPC275576
0.7966	Intermediate Similarity	NPC477136
0.7963	Intermediate Similarity	NPC317280
0.7963	Intermediate Similarity	NPC329387
0.7951	Intermediate Similarity	NPC307139
0.7949	Intermediate Similarity	NPC192948
0.7949	Intermediate Similarity	NPC147179
0.7949	Intermediate Similarity	NPC35797
0.7946	Intermediate Similarity	NPC185763
0.7946	Intermediate Similarity	NPC83409
0.7917	Intermediate Similarity	NPC77000
0.7917	Intermediate Similarity	NPC238861
0.7917	Intermediate Similarity	NPC133302
0.7905	Intermediate Similarity	NPC125226
0.7903	Intermediate Similarity	NPC269598
0.7903	Intermediate Similarity	NPC169913
0.7899	Intermediate Similarity	NPC471671
0.7899	Intermediate Similarity	NPC318173
0.7891	Intermediate Similarity	NPC310662
0.7885	Intermediate Similarity	NPC1793
0.7881	Intermediate Similarity	NPC158157
0.7881	Intermediate Similarity	NPC308828
0.7876	Intermediate Similarity	NPC21929
0.7863	Intermediate Similarity	NPC268160
0.7863	Intermediate Similarity	NPC474095
0.7857	Intermediate Similarity	NPC276238
0.7857	Intermediate Similarity	NPC206028
0.7857	Intermediate Similarity	NPC131684
0.784	Intermediate Similarity	NPC69424
0.784	Intermediate Similarity	NPC78364
0.784	Intermediate Similarity	NPC478162
0.784	Intermediate Similarity	NPC176130
0.784	Intermediate Similarity	NPC84672
0.784	Intermediate Similarity	NPC478165
0.7838	Intermediate Similarity	NPC247976
0.7833	Intermediate Similarity	NPC79933
0.7833	Intermediate Similarity	NPC258366
0.7833	Intermediate Similarity	NPC202015
0.7833	Intermediate Similarity	NPC469644
0.7833	Intermediate Similarity	NPC473974
0.7833	Intermediate Similarity	NPC31296
0.7829	Intermediate Similarity	NPC202225
0.7815	Intermediate Similarity	NPC172219
0.7815	Intermediate Similarity	NPC304510
0.7812	Intermediate Similarity	NPC165612
0.7807	Intermediate Similarity	NPC318327
0.7787	Intermediate Similarity	NPC18785
0.7786	Intermediate Similarity	NPC475957
0.7769	Intermediate Similarity	NPC470585
0.7769	Intermediate Similarity	NPC478121
0.7768	Intermediate Similarity	NPC472222
0.7768	Intermediate Similarity	NPC315794
0.7768	Intermediate Similarity	NPC249067
0.7768	Intermediate Similarity	NPC472221
0.7767	Intermediate Similarity	NPC93843
0.776	Intermediate Similarity	NPC473220
0.776	Intermediate Similarity	NPC474106
0.776	Intermediate Similarity	NPC470753
0.7759	Intermediate Similarity	NPC280789
0.7759	Intermediate Similarity	NPC111108
0.7752	Intermediate Similarity	NPC18982
0.7752	Intermediate Similarity	NPC475346
0.7752	Intermediate Similarity	NPC475457
0.7752	Intermediate Similarity	NPC475627
0.7752	Intermediate Similarity	NPC477139
0.775	Intermediate Similarity	NPC48342
0.775	Intermediate Similarity	NPC164649
0.775	Intermediate Similarity	NPC469609
0.7742	Intermediate Similarity	NPC15127
0.7736	Intermediate Similarity	NPC79917
0.7736	Intermediate Similarity	NPC141607
0.7736	Intermediate Similarity	NPC187725
0.7734	Intermediate Similarity	NPC291001
0.7717	Intermediate Similarity	NPC49272
0.7714	Intermediate Similarity	NPC199567
0.7712	Intermediate Similarity	NPC274839
0.7712	Intermediate Similarity	NPC228936
0.7705	Intermediate Similarity	NPC21216
0.7698	Intermediate Similarity	NPC72667
0.7692	Intermediate Similarity	NPC228425
0.7692	Intermediate Similarity	NPC287055
0.7692	Intermediate Similarity	NPC206414
0.7692	Intermediate Similarity	NPC242957
0.7692	Intermediate Similarity	NPC306977
0.7686	Intermediate Similarity	NPC472708
0.7686	Intermediate Similarity	NPC182240
0.768	Intermediate Similarity	NPC478107
0.768	Intermediate Similarity	NPC470765
0.768	Intermediate Similarity	NPC9180
0.768	Intermediate Similarity	NPC137416
0.768	Intermediate Similarity	NPC100402
0.768	Intermediate Similarity	NPC470649
0.7672	Intermediate Similarity	NPC252544
0.7672	Intermediate Similarity	NPC321252
0.7672	Intermediate Similarity	NPC132720
0.7664	Intermediate Similarity	NPC314690

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC471188 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	161
0.1-0.2	748
0.2-0.3	1056
0.3-0.4	2379
0.4-0.5	2500
0.5-0.6	1691
0.6-0.7	537
0.7-0.8	82
0.8-0.85	7
0.85-0.9	0
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.8496	Intermediate Similarity	NPD5951	Approved
0.8333	Intermediate Similarity	NPD5700	Clinical (unspecified phase)
0.822	Intermediate Similarity	NPD3019	Approved
0.8174	Intermediate Similarity	NPD2629	Approved
0.8067	Intermediate Similarity	NPD2932	Approved
0.8067	Intermediate Similarity	NPD7163	Clinical (unspecified phase)
0.8	Intermediate Similarity	NPD7008	Discontinued
0.7982	Intermediate Similarity	NPD4141	Clinical (unspecified phase)
0.7917	Intermediate Similarity	NPD3412	Clinical (unspecified phase)
0.7857	Intermediate Similarity	NPD5952	Clinical (unspecified phase)
0.7778	Intermediate Similarity	NPD4869	Clinical (unspecified phase)
0.7768	Intermediate Similarity	NPD1237	Approved
0.775	Intermediate Similarity	NPD3091	Approved
0.7734	Intermediate Similarity	NPD6663	Approved
0.7727	Intermediate Similarity	NPD2066	Phase 3
0.7705	Intermediate Similarity	NPD3026	Approved
0.7705	Intermediate Similarity	NPD3023	Approved
0.7698	Intermediate Similarity	NPD5736	Approved
0.7686	Intermediate Similarity	NPD3024	Approved
0.7686	Intermediate Similarity	NPD3025	Approved
0.7664	Intermediate Similarity	NPD1088	Approved
0.7652	Intermediate Similarity	NPD6831	Clinical (unspecified phase)
0.7647	Intermediate Similarity	NPD3317	Approved
0.7603	Intermediate Similarity	NPD7741	Discontinued
0.7597	Intermediate Similarity	NPD7715	Approved
0.7597	Intermediate Similarity	NPD7714	Approved
0.7545	Intermediate Similarity	NPD3495	Discontinued
0.7542	Intermediate Similarity	NPD7094	Approved
0.7542	Intermediate Similarity	NPD6858	Approved
0.7523	Intermediate Similarity	NPD688	Clinical (unspecified phase)
0.7523	Intermediate Similarity	NPD1693	Approved
0.7522	Intermediate Similarity	NPD1931	Clinical (unspecified phase)
0.7522	Intermediate Similarity	NPD1930	Approved
0.7522	Intermediate Similarity	NPD1929	Approved
0.75	Intermediate Similarity	NPD4198	Discontinued
0.75	Intermediate Similarity	NPD3092	Approved
0.748	Intermediate Similarity	NPD3095	Discontinued
0.7477	Intermediate Similarity	NPD1090	Approved
0.7477	Intermediate Similarity	NPD1089	Approved
0.7477	Intermediate Similarity	NPD9495	Approved
0.7477	Intermediate Similarity	NPD1086	Approved
0.7383	Intermediate Similarity	NPD800	Approved
0.7377	Intermediate Similarity	NPD7610	Discontinued
0.7339	Intermediate Similarity	NPD7725	Approved
0.7333	Intermediate Similarity	NPD6010	Discontinued
0.7313	Intermediate Similarity	NPD7305	Phase 1
0.7302	Intermediate Similarity	NPD4878	Approved
0.7297	Intermediate Similarity	NPD1989	Approved
0.7273	Intermediate Similarity	NPD5122	Clinical (unspecified phase)
0.7266	Intermediate Similarity	NPD3094	Phase 2
0.7265	Intermediate Similarity	NPD2342	Discontinued
0.7258	Intermediate Similarity	NPD1651	Approved
0.725	Intermediate Similarity	NPD7635	Approved
0.7248	Intermediate Similarity	NPD1239	Approved
0.7246	Intermediate Similarity	NPD7910	Clinical (unspecified phase)
0.7232	Intermediate Similarity	NPD1564	Approved
0.7232	Intermediate Similarity	NPD1565	Approved
0.7232	Intermediate Similarity	NPD1566	Phase 3
0.7222	Intermediate Similarity	NPD1201	Approved
0.7217	Intermediate Similarity	NPD6647	Phase 2
0.7209	Intermediate Similarity	NPD6085	Phase 2
0.7209	Intermediate Similarity	NPD5740	Clinical (unspecified phase)
0.7207	Intermediate Similarity	NPD6049	Phase 2
0.7207	Intermediate Similarity	NPD6048	Clinical (unspecified phase)
0.72	Intermediate Similarity	NPD5126	Approved
0.72	Intermediate Similarity	NPD5125	Phase 3
0.7196	Intermediate Similarity	NPD1087	Approved
0.7188	Intermediate Similarity	NPD1283	Approved
0.7177	Intermediate Similarity	NPD2227	Clinical (unspecified phase)
0.7177	Intermediate Similarity	NPD7009	Phase 2
0.7174	Intermediate Similarity	NPD7003	Approved
0.7155	Intermediate Similarity	NPD5909	Discontinued
0.7143	Intermediate Similarity	NPD7457	Clinical (unspecified phase)
0.7109	Intermediate Similarity	NPD5158	Clinical (unspecified phase)
0.7109	Intermediate Similarity	NPD5157	Phase 1
0.7109	Intermediate Similarity	NPD5159	Phase 2
0.7105	Intermediate Similarity	NPD3020	Approved
0.7094	Intermediate Similarity	NPD5048	Discontinued
0.7083	Intermediate Similarity	NPD2181	Clinical (unspecified phase)
0.7077	Intermediate Similarity	NPD6007	Clinical (unspecified phase)
0.7071	Intermediate Similarity	NPD7236	Approved
0.7069	Intermediate Similarity	NPD5738	Clinical (unspecified phase)
0.7063	Intermediate Similarity	NPD5305	Approved
0.7063	Intermediate Similarity	NPD4059	Approved
0.7063	Intermediate Similarity	NPD4199	Phase 3
0.7063	Intermediate Similarity	NPD5306	Approved
0.705	Intermediate Similarity	NPD8166	Discontinued
0.7015	Intermediate Similarity	NPD4140	Approved
0.7	Intermediate Similarity	NPD1470	Approved
0.6984	Remote Similarity	NPD4196	Clinical (unspecified phase)
0.6984	Remote Similarity	NPD1710	Approved
0.6983	Remote Similarity	NPD1932	Approved
0.6964	Remote Similarity	NPD1563	Approved
0.6964	Remote Similarity	NPD845	Approved
0.6953	Remote Similarity	NPD4807	Approved
0.6953	Remote Similarity	NPD1281	Approved
0.6953	Remote Similarity	NPD4806	Approved
0.6944	Remote Similarity	NPD7239	Suspended
0.694	Remote Similarity	NPD8032	Phase 2
0.6923	Remote Similarity	NPD6273	Approved
0.6917	Remote Similarity	NPD2329	Discontinued
0.6909	Remote Similarity	NPD5347	Phase 2
0.6909	Remote Similarity	NPD5346	Phase 2
0.6903	Remote Similarity	NPD1432	Clinical (unspecified phase)
0.6893	Remote Similarity	NPD9294	Approved
0.6885	Remote Similarity	NPD1609	Clinical (unspecified phase)
0.688	Remote Similarity	NPD7325	Clinical (unspecified phase)
0.688	Remote Similarity	NPD6775	Clinical (unspecified phase)
0.6875	Remote Similarity	NPD4136	Approved
0.6875	Remote Similarity	NPD4135	Approved
0.6875	Remote Similarity	NPD4106	Approved
0.6875	Remote Similarity	NPD4879	Approved
0.6875	Remote Similarity	NPD7631	Approved
0.6847	Remote Similarity	NPD3673	Approved
0.6847	Remote Similarity	NPD3672	Approved
0.6842	Remote Similarity	NPD2859	Approved
0.6842	Remote Similarity	NPD2860	Approved
0.6842	Remote Similarity	NPD1809	Phase 2
0.6835	Remote Similarity	NPD7702	Clinical (unspecified phase)
0.6833	Remote Similarity	NPD4095	Clinical (unspecified phase)
0.6822	Remote Similarity	NPD6287	Discontinued
0.6822	Remote Similarity	NPD5618	Discontinued
0.6822	Remote Similarity	NPD5350	Clinical (unspecified phase)
0.6822	Remote Similarity	NPD5351	Clinical (unspecified phase)
0.6822	Remote Similarity	NPD9491	Approved
0.6815	Remote Similarity	NPD7713	Phase 3
0.6815	Remote Similarity	NPD7961	Discontinued
0.6812	Remote Similarity	NPD3299	Clinical (unspecified phase)
0.681	Remote Similarity	NPD7798	Approved
0.6792	Remote Similarity	NPD226	Approved
0.6791	Remote Similarity	NPD6966	Discovery
0.6788	Remote Similarity	NPD6817	Clinical (unspecified phase)
0.6786	Remote Similarity	NPD7609	Phase 3
0.6783	Remote Similarity	NPD288	Approved
0.6781	Remote Similarity	NPD5808	Clinical (unspecified phase)
0.6781	Remote Similarity	NPD7458	Discontinued
0.678	Remote Similarity	NPD5765	Approved
0.6777	Remote Similarity	NPD2182	Approved
0.6769	Remote Similarity	NPD3972	Approved
0.6765	Remote Similarity	NPD2979	Phase 3
0.6765	Remote Similarity	NPD3620	Phase 2
0.6765	Remote Similarity	NPD3619	Clinical (unspecified phase)
0.6763	Remote Similarity	NPD5405	Approved
0.6763	Remote Similarity	NPD5406	Approved
0.6763	Remote Similarity	NPD5404	Approved
0.6763	Remote Similarity	NPD6100	Approved
0.6763	Remote Similarity	NPD5408	Approved
0.6763	Remote Similarity	NPD6099	Approved
0.6754	Remote Similarity	NPD2933	Approved
0.6754	Remote Similarity	NPD2934	Approved
0.6752	Remote Similarity	NPD1616	Discontinued
0.675	Remote Similarity	NPD6685	Approved
0.6736	Remote Similarity	NPD7422	Clinical (unspecified phase)
0.6736	Remote Similarity	NPD7004	Clinical (unspecified phase)
0.6727	Remote Similarity	NPD4793	Discontinued
0.6719	Remote Similarity	NPD4105	Approved
0.6719	Remote Similarity	NPD4102	Approved
0.6718	Remote Similarity	NPD5327	Phase 3
0.6718	Remote Similarity	NPD182	Clinical (unspecified phase)
0.6718	Remote Similarity	NPD1755	Approved
0.6716	Remote Similarity	NPD5203	Approved
0.6716	Remote Similarity	NPD4617	Approved
0.6716	Remote Similarity	NPD5201	Approved
0.6716	Remote Similarity	NPD4620	Approved
0.6715	Remote Similarity	NPD5735	Approved
0.6697	Remote Similarity	NPD5734	Clinical (unspecified phase)
0.6696	Remote Similarity	NPD844	Approved
0.6696	Remote Similarity	NPD9256	Approved
0.6696	Remote Similarity	NPD9258	Approved
0.6695	Remote Similarity	NPD4818	Approved
0.6695	Remote Similarity	NPD4719	Phase 2
0.6695	Remote Similarity	NPD4817	Approved
0.6693	Remote Similarity	NPD6065	Approved
0.6692	Remote Similarity	NPD4980	Approved
0.6692	Remote Similarity	NPD4624	Approved
0.6691	Remote Similarity	NPD7742	Approved
0.6691	Remote Similarity	NPD7743	Approved
0.6691	Remote Similarity	NPD1509	Clinical (unspecified phase)
0.669	Remote Similarity	NPD4628	Phase 3
0.6667	Remote Similarity	NPD3971	Phase 1
0.6667	Remote Similarity	NPD4097	Suspended
0.6667	Remote Similarity	NPD4626	Approved
0.6667	Remote Similarity	NPD6591	Clinical (unspecified phase)
0.6667	Remote Similarity	NPD4025	Clinical (unspecified phase)
0.6667	Remote Similarity	NPD2286	Discontinued
0.6667	Remote Similarity	NPD3528	Clinical (unspecified phase)
0.6643	Remote Similarity	NPD2438	Suspended
0.6642	Remote Similarity	NPD5121	Approved
0.6642	Remote Similarity	NPD5120	Approved
0.6642	Remote Similarity	NPD7084	Phase 3
0.6642	Remote Similarity	NPD5119	Approved
0.6642	Remote Similarity	NPD5204	Approved
0.664	Remote Similarity	NPD7159	Clinical (unspecified phase)
0.6639	Remote Similarity	NPD4231	Approved
0.6639	Remote Similarity	NPD4229	Approved
0.6617	Remote Similarity	NPD2797	Approved
0.6614	Remote Similarity	NPD3123	Discovery
0.6614	Remote Similarity	NPD405	Clinical (unspecified phase)
0.6613	Remote Similarity	NPD6124	Clinical (unspecified phase)
0.661	Remote Similarity	NPD289	Clinical (unspecified phase)

Structure

NPC471188 OpenBabel07101718312D 21 23 0 0 1 0 0 0 0 0999 V2000 5.1962 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5000 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1962 2.0000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.3301 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0000 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 -0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0622 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 2 18 1 0 0 0 0 3 18 1 0 0 0 0 5 7 2 0 0 0 0 5 13 1 0 0 0 0 6 8 1 0 0 0 0 6 14 1 0 0 0 0 7 15 1 0 0 0 0 8 16 1 0 0 0 0 9 10 1 0 0 0 0 9 17 1 0 0 0 0 10 19 1 0 0 0 0 11 13 2 0 0 0 0 11 14 1 0 0 0 0 12 13 1 0 0 0 0 12 20 1 0 0 0 0 14 15 2 0 0 0 0 15 19 1 0 0 0 0 16 18 1 0 0 0 0 16 19 1 6 0 0 0 17 18 1 0 0 0 0 17 21 2 0 0 0 0 19 4 1 6 0 0 0 M END $$$$

External Identifiers

PubChem CID	71726324
ChEMBL	CHEMBL2386523
ZINC

Physicochemical Properties

Molecular Weight:	286.19
ALogP:	0.7475
MLogP:	3.33
XLogP:	4.733
# Rotatable Bonds:	6
Polar Surface Area:	37.3
# H-Bond Aceptor:	2
# H-Bond Donor:	1
# Rings:	3
# Heavy Atoms:	21

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