NPASS Natural Product

Natural Product: NPC104049

Natural Product ID:	NPC104049
Common Name:	Tambjamine K
IUPAC Name:
Synonyms:	tambjamine K
Molecular Formula:	C15H21N3O
Standard InCHIKey:	OTWGLVDGDXPWNV-UVTDQMKNSA-N
Standard InCHI:	InChI=1S/C15H21N3O/c1-11(2)6-8-16-10-14-15(19-3)9-13(18-14)12-5-4-7-17-12/h4-5,7,9-11,16-17H,6,8H2,1-3H3/b14-10-
Canonical SMILES:	COC1=CC(=N/C/1=CNCCC(C)C)c1ccc[nH]1
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
NPO958	Tambja ceutae	Species	Polyceridae	Eukaryota		Azorean		PMID[20227875]

Biological Activity

Activity Type	# Activity
IC50	12

Activity Type	# Activity
Cell Line	12

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT1635	Cell Line	H9c2	Rattus norvegicus	IC50	=	2700	nM	19919060
NPT82	Cell Line	MDA-MB-231	Homo sapiens	IC50	=	15300	nM	19673515
NPT393	Cell Line	HCT-116	Homo sapiens	IC50	=	13700	nM	19673515
NPT520	Cell Line	3T3-L1	Mus musculus	IC50	=	19000	nM	PubChem BioAssay data set
NPT76	Cell Line	C6	Rattus norvegicus	IC50	=	14000	nM	11975486
NPT165	Cell Line	HeLa	Homo sapiens	IC50	=	14600	nM	21504848
NPT492	Cell Line	Caco-2	Homo sapiens	IC50	=	3.3	nM	21504848
NPT520	Cell Line	3T3-L1	Mus musculus	IC50	=	19000	nM	17536859
NPT1635	Cell Line	H9c2	Rattus norvegicus	IC50	=	2700	nM	DrugMatrix in vitro pharmacology data
NPT76	Cell Line	C6	Rattus norvegicus	IC50	=	14000	nM	DrugMatrix in vitro pharmacology data
NPT165	Cell Line	HeLa	Homo sapiens	IC50	=	14600	nM	21930377
NPT492	Cell Line	Caco-2	Homo sapiens	IC50	=	3.5	nM	21930377

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 NPC104049 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	300
0.1-0.2	7993
0.2-0.3	14925
0.3-0.4	4060
0.4-0.5	1572
0.5-0.6	1268
0.6-0.7	662
0.7-0.8	108
0.8-0.85	0
0.85-0.9	1
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Natural Product ID
0.8958	High Similarity	NPC477815
0.7961	Intermediate Similarity	NPC75135
0.7908	Intermediate Similarity	NPC169586
0.7733	Intermediate Similarity	NPC314372
0.7718	Intermediate Similarity	NPC190296
0.7647	Intermediate Similarity	NPC105818
0.7647	Intermediate Similarity	NPC24678
0.7635	Intermediate Similarity	NPC73767
0.7622	Intermediate Similarity	NPC141377
0.7619	Intermediate Similarity	NPC84911
0.7616	Intermediate Similarity	NPC159856
0.7603	Intermediate Similarity	NPC291517
0.7584	Intermediate Similarity	NPC469784
0.7584	Intermediate Similarity	NPC469761
0.7584	Intermediate Similarity	NPC469767
0.7584	Intermediate Similarity	NPC469768
0.7584	Intermediate Similarity	NPC469783
0.7584	Intermediate Similarity	NPC469779
0.7584	Intermediate Similarity	NPC469780
0.7551	Intermediate Similarity	NPC261195
0.7551	Intermediate Similarity	NPC29886
0.7551	Intermediate Similarity	NPC96102
0.7533	Intermediate Similarity	NPC469766
0.7517	Intermediate Similarity	NPC110126
0.7517	Intermediate Similarity	NPC82295
0.7516	Intermediate Similarity	NPC212742
0.75	Intermediate Similarity	NPC105127
0.7453	Intermediate Similarity	NPC49217
0.7438	Intermediate Similarity	NPC311276
0.7436	Intermediate Similarity	NPC259644
0.7436	Intermediate Similarity	NPC469765
0.7436	Intermediate Similarity	NPC469760
0.7436	Intermediate Similarity	NPC73952
0.7436	Intermediate Similarity	NPC469763
0.7436	Intermediate Similarity	NPC469786
0.7436	Intermediate Similarity	NPC25008
0.7419	Intermediate Similarity	NPC53947
0.7403	Intermediate Similarity	NPC471957
0.7399	Intermediate Similarity	NPC84853
0.7394	Intermediate Similarity	NPC27740
0.7389	Intermediate Similarity	NPC211572
0.7389	Intermediate Similarity	NPC80597
0.7389	Intermediate Similarity	NPC212376
0.7389	Intermediate Similarity	NPC75540
0.7389	Intermediate Similarity	NPC70922
0.7365	Intermediate Similarity	NPC23215
0.7358	Intermediate Similarity	NPC92796
0.7358	Intermediate Similarity	NPC135141
0.7351	Intermediate Similarity	NPC279081
0.7342	Intermediate Similarity	NPC469785
0.7329	Intermediate Similarity	NPC162268
0.7325	Intermediate Similarity	NPC200214
0.7317	Intermediate Similarity	NPC470498
0.7296	Intermediate Similarity	NPC469762
0.726	Intermediate Similarity	NPC329896
0.726	Intermediate Similarity	NPC475105
0.726	Intermediate Similarity	NPC475090
0.7239	Intermediate Similarity	NPC49954
0.7239	Intermediate Similarity	NPC160105
0.7239	Intermediate Similarity	NPC474561
0.7237	Intermediate Similarity	NPC230002
0.7226	Intermediate Similarity	NPC288838
0.7222	Intermediate Similarity	NPC40779
0.7193	Intermediate Similarity	NPC280290
0.7192	Intermediate Similarity	NPC89490
0.7164	Intermediate Similarity	NPC231655
0.716	Intermediate Similarity	NPC282231
0.7152	Intermediate Similarity	NPC216713
0.7152	Intermediate Similarity	NPC470233
0.7134	Intermediate Similarity	NPC321911
0.7126	Intermediate Similarity	NPC76748
0.7115	Intermediate Similarity	NPC143872
0.7099	Intermediate Similarity	NPC279918
0.7099	Intermediate Similarity	NPC131718
0.7095	Intermediate Similarity	NPC187558
0.7093	Intermediate Similarity	NPC163421
0.7093	Intermediate Similarity	NPC188387
0.7091	Intermediate Similarity	NPC201700
0.7086	Intermediate Similarity	NPC92111
0.7081	Intermediate Similarity	NPC216643
0.7081	Intermediate Similarity	NPC286427
0.707	Intermediate Similarity	NPC201380
0.707	Intermediate Similarity	NPC469811
0.707	Intermediate Similarity	NPC179787
0.7069	Intermediate Similarity	NPC296527
0.7066	Intermediate Similarity	NPC314603
0.7063	Intermediate Similarity	NPC48564
0.7063	Intermediate Similarity	NPC265605
0.7063	Intermediate Similarity	NPC182570
0.7048	Intermediate Similarity	NPC194411
0.7044	Intermediate Similarity	NPC470823
0.7041	Intermediate Similarity	NPC68354
0.7037	Intermediate Similarity	NPC318065
0.7037	Intermediate Similarity	NPC56765
0.7037	Intermediate Similarity	NPC41257
0.7037	Intermediate Similarity	NPC206819
0.7037	Intermediate Similarity	NPC230869
0.7035	Intermediate Similarity	NPC284678
0.703	Intermediate Similarity	NPC54988
0.7024	Intermediate Similarity	NPC275305
0.7024	Intermediate Similarity	NPC37423
0.7012	Intermediate Similarity	NPC102423
0.7006	Intermediate Similarity	NPC63545
0.7006	Intermediate Similarity	NPC307963
0.7	Intermediate Similarity	NPC176199
0.7	Intermediate Similarity	NPC276540
0.7	Intermediate Similarity	NPC215795
0.7	Intermediate Similarity	NPC141926
0.7	Intermediate Similarity	NPC233050
0.6988	Remote Similarity	NPC63751
0.6986	Remote Similarity	NPC146373
0.6986	Remote Similarity	NPC245244
0.6986	Remote Similarity	NPC166424
0.6964	Remote Similarity	NPC313791
0.6957	Remote Similarity	NPC34844
0.6941	Remote Similarity	NPC151939
0.6933	Remote Similarity	NPC256893
0.6933	Remote Similarity	NPC471322
0.6928	Remote Similarity	NPC472288
0.6919	Remote Similarity	NPC243381
0.6919	Remote Similarity	NPC233936
0.6919	Remote Similarity	NPC275292
0.6909	Remote Similarity	NPC90723
0.6909	Remote Similarity	NPC194640
0.6899	Remote Similarity	NPC316069
0.6897	Remote Similarity	NPC41174
0.6894	Remote Similarity	NPC325903
0.6884	Remote Similarity	NPC27802
0.6875	Remote Similarity	NPC471655
0.6871	Remote Similarity	NPC236711
0.6867	Remote Similarity	NPC22079
0.6867	Remote Similarity	NPC233380
0.6863	Remote Similarity	NPC325252
0.6863	Remote Similarity	NPC218268
0.686	Remote Similarity	NPC300688
0.6859	Remote Similarity	NPC476454
0.6842	Remote Similarity	NPC84827
0.6842	Remote Similarity	NPC14113
0.6842	Remote Similarity	NPC248454
0.6842	Remote Similarity	NPC145885
0.6842	Remote Similarity	NPC59269
0.6833	Remote Similarity	NPC13880
0.6821	Remote Similarity	NPC324611
0.6818	Remote Similarity	NPC150259
0.6818	Remote Similarity	NPC125746
0.6813	Remote Similarity	NPC37548
0.6807	Remote Similarity	NPC78375
0.6807	Remote Similarity	NPC469813
0.6807	Remote Similarity	NPC476446
0.6805	Remote Similarity	NPC54214
0.6802	Remote Similarity	NPC11126
0.6802	Remote Similarity	NPC265710
0.68	Remote Similarity	NPC71236
0.6797	Remote Similarity	NPC198988
0.6795	Remote Similarity	NPC59084
0.6788	Remote Similarity	NPC76540
0.6788	Remote Similarity	NPC470204
0.6784	Remote Similarity	NPC267885
0.6784	Remote Similarity	NPC224764
0.6782	Remote Similarity	NPC163055
0.678	Remote Similarity	NPC209917
0.6779	Remote Similarity	NPC471313
0.6779	Remote Similarity	NPC471311
0.6776	Remote Similarity	NPC19872
0.6772	Remote Similarity	NPC242556
0.6766	Remote Similarity	NPC42372
0.6763	Remote Similarity	NPC16659
0.6763	Remote Similarity	NPC477042
0.6761	Remote Similarity	NPC235684
0.6761	Remote Similarity	NPC476527
0.6761	Remote Similarity	NPC171171
0.6752	Remote Similarity	NPC58268
0.6752	Remote Similarity	NPC129412
0.6752	Remote Similarity	NPC114033
0.6752	Remote Similarity	NPC63157
0.6752	Remote Similarity	NPC473868
0.6752	Remote Similarity	NPC101130
0.6748	Remote Similarity	NPC471458
0.6748	Remote Similarity	NPC470507
0.6748	Remote Similarity	NPC33229
0.6747	Remote Similarity	NPC470203
0.6744	Remote Similarity	NPC473380
0.6744	Remote Similarity	NPC284775
0.6744	Remote Similarity	NPC240088
0.6743	Remote Similarity	NPC228835
0.6743	Remote Similarity	NPC204717
0.674	Remote Similarity	NPC251090
0.6735	Remote Similarity	NPC290094
0.673	Remote Similarity	NPC470440
0.673	Remote Similarity	NPC285731
0.673	Remote Similarity	NPC467188
0.6725	Remote Similarity	NPC293216
0.6725	Remote Similarity	NPC149155
0.6725	Remote Similarity	NPC203468
0.6725	Remote Similarity	NPC110500
0.6723	Remote Similarity	NPC317030
0.6716	Remote Similarity	NPC83987
0.671	Remote Similarity	NPC65408
0.6707	Remote Similarity	NPC317105
0.6705	Remote Similarity	NPC314002

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC104049 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	224
0.1-0.2	865
0.2-0.3	1203
0.3-0.4	2147
0.4-0.5	2622
0.5-0.6	1620
0.6-0.7	440
0.7-0.8	39
0.8-0.85	1
0.85-0.9	0
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.8138	Intermediate Similarity	NPD3834	Clinical (unspecified phase)
0.7763	Intermediate Similarity	NPD3833	Phase 3
0.7763	Intermediate Similarity	NPD3835	Phase 3
0.7647	Intermediate Similarity	NPD9396	Approved
0.7647	Intermediate Similarity	NPD9392	Approved
0.7635	Intermediate Similarity	NPD786	Approved
0.7551	Intermediate Similarity	NPD198	Clinical (unspecified phase)
0.7533	Intermediate Similarity	NPD1722	Approved
0.7469	Intermediate Similarity	NPD565	Phase 2
0.7455	Intermediate Similarity	NPD2144	Approved
0.7425	Intermediate Similarity	NPD3038	Discontinued
0.7397	Intermediate Similarity	NPD803	Phase 1
0.7372	Intermediate Similarity	NPD269	Clinical (unspecified phase)
0.731	Intermediate Similarity	NPD1031	Discontinued
0.7308	Intermediate Similarity	NPD2172	Phase 1
0.7244	Intermediate Similarity	NPD3100	Discontinued
0.7195	Intermediate Similarity	NPD5069	Clinical (unspecified phase)
0.7183	Intermediate Similarity	NPD9598	Discontinued
0.7164	Intermediate Similarity	NPD9098	Phase 3
0.7164	Intermediate Similarity	NPD9099	Clinical (unspecified phase)
0.7153	Intermediate Similarity	NPD9357	Approved
0.7152	Intermediate Similarity	NPD4184	Clinical (unspecified phase)
0.7143	Intermediate Similarity	NPD2007	Clinical (unspecified phase)
0.7134	Intermediate Similarity	NPD4374	Clinical (unspecified phase)
0.7123	Intermediate Similarity	NPD991	Phase 2
0.7123	Intermediate Similarity	NPD992	Clinical (unspecified phase)
0.7095	Intermediate Similarity	NPD3476	Approved
0.7095	Intermediate Similarity	NPD3475	Approved
0.7063	Intermediate Similarity	NPD271	Approved
0.7063	Intermediate Similarity	NPD270	Clinical (unspecified phase)
0.7063	Intermediate Similarity	NPD268	Approved
0.7055	Intermediate Similarity	NPD9583	Approved
0.7041	Intermediate Similarity	NPD3505	Approved
0.7041	Intermediate Similarity	NPD3506	Approved
0.7007	Intermediate Similarity	NPD2119	Approved
0.7007	Intermediate Similarity	NPD2118	Approved
0.7006	Intermediate Similarity	NPD1304	Clinical (unspecified phase)
0.7006	Intermediate Similarity	NPD1038	Approved
0.7	Intermediate Similarity	NPD4076	Approved
0.7	Intermediate Similarity	NPD4079	Approved
0.6994	Remote Similarity	NPD1404	Approved
0.6994	Remote Similarity	NPD1403	Approved
0.6975	Remote Similarity	NPD2582	Approved
0.6975	Remote Similarity	NPD2581	Approved
0.6968	Remote Similarity	NPD1592	Phase 3
0.6959	Remote Similarity	NPD6595	Phase 3
0.6928	Remote Similarity	NPD2639	Approved
0.6928	Remote Similarity	NPD2642	Approved
0.6923	Remote Similarity	NPD3717	Discontinued
0.6914	Remote Similarity	NPD3486	Clinical (unspecified phase)
0.6909	Remote Similarity	NPD3323	Discontinued
0.6894	Remote Similarity	NPD2837	Discontinued
0.689	Remote Similarity	NPD1418	Phase 2
0.6886	Remote Similarity	NPD2640	Approved
0.6886	Remote Similarity	NPD2185	Clinical (unspecified phase)
0.6886	Remote Similarity	NPD2641	Approved
0.6882	Remote Similarity	NPD4075	Phase 2
0.6875	Remote Similarity	NPD4462	Approved
0.6875	Remote Similarity	NPD4463	Approved
0.6871	Remote Similarity	NPD9574	Clinical (unspecified phase)
0.6842	Remote Similarity	NPD4030	Approved
0.6842	Remote Similarity	NPD4029	Approved
0.6842	Remote Similarity	NPD4028	Approved
0.6842	Remote Similarity	NPD6203	Clinical (unspecified phase)
0.6839	Remote Similarity	NPD768	Clinical (unspecified phase)
0.6829	Remote Similarity	NPD604	Clinical (unspecified phase)
0.6824	Remote Similarity	NPD5065	Approved
0.6821	Remote Similarity	NPD809	Discontinued
0.6821	Remote Similarity	NPD9726	Discontinued
0.6807	Remote Similarity	NPD8129	Discovery
0.6788	Remote Similarity	NPD687	Clinical (unspecified phase)
0.6786	Remote Similarity	NPD4823	Approved
0.6786	Remote Similarity	NPD4824	Approved
0.6784	Remote Similarity	NPD749	Clinical (unspecified phase)
0.6753	Remote Similarity	NPD490	Clinical (unspecified phase)
0.6744	Remote Similarity	NPD4181	Approved
0.6725	Remote Similarity	NPD482	Approved
0.6725	Remote Similarity	NPD4128	Approved
0.6723	Remote Similarity	NPD5590	Clinical (unspecified phase)
0.6721	Remote Similarity	NPD3825	Phase 3
0.671	Remote Similarity	NPD200	Phase 2
0.671	Remote Similarity	NPD201	Phase 2
0.6707	Remote Similarity	NPD2580	Discontinued
0.6706	Remote Similarity	NPD3610	Approved
0.6706	Remote Similarity	NPD3609	Approved
0.6705	Remote Similarity	NPD6610	Clinical (unspecified phase)
0.6688	Remote Similarity	NPD3943	Clinical (unspecified phase)
0.6686	Remote Similarity	NPD5728	Clinical (unspecified phase)
0.6667	Remote Similarity	NPD5787	Discontinued
0.6667	Remote Similarity	NPD6217	Discontinued
0.6649	Remote Similarity	NPD1392	Approved
0.6648	Remote Similarity	NPD3607	Clinical (unspecified phase)
0.6647	Remote Similarity	NPD4072	Approved
0.6647	Remote Similarity	NPD4071	Approved
0.6646	Remote Similarity	NPD4702	Approved
0.6646	Remote Similarity	NPD4703	Approved
0.6645	Remote Similarity	NPD715	Phase 3
0.6644	Remote Similarity	NPD4811	Discontinued
0.663	Remote Similarity	NPD4548	Discontinued
0.6629	Remote Similarity	NPD3961	Discontinued
0.6629	Remote Similarity	NPD3178	Discontinued
0.6628	Remote Similarity	NPD2928	Phase 2
0.6627	Remote Similarity	NPD1248	Discontinued
0.6623	Remote Similarity	NPD3942	Approved
0.6623	Remote Similarity	NPD3944	Approved
0.6623	Remote Similarity	NPD1095	Clinical (unspecified phase)
0.6607	Remote Similarity	NPD5138	Approved
0.6607	Remote Similarity	NPD5140	Approved
0.6604	Remote Similarity	NPD2006	Phase 2
0.6592	Remote Similarity	NPD8110	Clinical (unspecified phase)
0.6591	Remote Similarity	NPD2092	Phase 2
0.6591	Remote Similarity	NPD2095	Phase 2
0.6591	Remote Similarity	NPD2094	Phase 2
0.6591	Remote Similarity	NPD5596	Phase 2
0.6584	Remote Similarity	NPD7469	Discontinued
0.6582	Remote Similarity	NPD165	Phase 2
0.6582	Remote Similarity	NPD1395	Clinical (unspecified phase)
0.6582	Remote Similarity	NPD9599	Approved
0.6579	Remote Similarity	NPD9305	Clinical (unspecified phase)
0.6573	Remote Similarity	NPD4426	Clinical (unspecified phase)
0.6571	Remote Similarity	NPD6277	Clinical (unspecified phase)
0.657	Remote Similarity	NPD2077	Approved
0.657	Remote Similarity	NPD2076	Approved
0.6562	Remote Similarity	NPD5254	Discontinued
0.6556	Remote Similarity	NPD1598	Discontinued
0.6556	Remote Similarity	NPD9284	Approved
0.6556	Remote Similarity	NPD9080	Approved
0.6554	Remote Similarity	NPD2096	Phase 2
0.6554	Remote Similarity	NPD748	Clinical (unspecified phase)
0.6554	Remote Similarity	NPD2091	Phase 2
0.655	Remote Similarity	NPD5436	Phase 1
0.6548	Remote Similarity	NPD1853	Clinical (unspecified phase)
0.6548	Remote Similarity	NPD2385	Clinical (unspecified phase)
0.6538	Remote Similarity	NPD206	Clinical (unspecified phase)
0.6538	Remote Similarity	NPD802	Phase 2
0.6536	Remote Similarity	NPD1033	Clinical (unspecified phase)
0.6536	Remote Similarity	NPD1034	Phase 3
0.6536	Remote Similarity	NPD8431	Approved
0.6527	Remote Similarity	NPD704	Clinical (unspecified phase)
0.6526	Remote Similarity	NPD2189	Approved
0.6526	Remote Similarity	NPD2187	Approved
0.6519	Remote Similarity	NPD2073	Approved
0.6519	Remote Similarity	NPD2070	Approved
0.6519	Remote Similarity	NPD4804	Approved
0.6519	Remote Similarity	NPD2075	Approved
0.6519	Remote Similarity	NPD2069	Approved
0.6519	Remote Similarity	NPD2072	Approved
0.6519	Remote Similarity	NPD2071	Approved
0.6519	Remote Similarity	NPD2074	Approved
0.6519	Remote Similarity	NPD2068	Approved
0.6512	Remote Similarity	NPD3116	Approved
0.6512	Remote Similarity	NPD3117	Approved
0.6512	Remote Similarity	NPD9548	Phase 2
0.6512	Remote Similarity	NPD3347	Clinical (unspecified phase)
0.651	Remote Similarity	NPD5066	Phase 2
0.651	Remote Similarity	NPD5067	Phase 2
0.6508	Remote Similarity	NPD4862	Clinical (unspecified phase)
0.6506	Remote Similarity	NPD473	Clinical (unspecified phase)
0.6506	Remote Similarity	NPD276	Clinical (unspecified phase)
0.65	Remote Similarity	NPD1427	Clinical (unspecified phase)
0.65	Remote Similarity	NPD4637	Clinical (unspecified phase)
0.6497	Remote Similarity	NPD5105	Approved
0.6497	Remote Similarity	NPD5106	Approved
0.6492	Remote Similarity	NPD2125	Clinical (unspecified phase)
0.6491	Remote Similarity	NPD4779	Clinical (unspecified phase)
0.6491	Remote Similarity	NPD4639	Approved
0.6491	Remote Similarity	NPD4638	Approved
0.6491	Remote Similarity	NPD4640	Approved
0.6489	Remote Similarity	NPD2121	Clinical (unspecified phase)
0.6488	Remote Similarity	NPD1741	Clinical (unspecified phase)
0.6474	Remote Similarity	NPD750	Phase 2
0.6471	Remote Similarity	NPD5259	Phase 3
0.6471	Remote Similarity	NPD3654	Approved
0.6467	Remote Similarity	NPD2865	Clinical (unspecified phase)
0.6467	Remote Similarity	NPD1192	Clinical (unspecified phase)
0.6464	Remote Similarity	NPD3870	Clinical (unspecified phase)
0.6464	Remote Similarity	NPD3871	Clinical (unspecified phase)
0.6463	Remote Similarity	NPD7913	Clinical (unspecified phase)
0.6461	Remote Similarity	NPD1096	Discontinued
0.6457	Remote Similarity	NPD2931	Phase 1
0.6456	Remote Similarity	NPD1380	Discovery
0.6452	Remote Similarity	NPD1627	Clinical (unspecified phase)
0.645	Remote Similarity	NPD6771	Discontinued
0.6448	Remote Similarity	NPD5575	Clinical (unspecified phase)
0.6446	Remote Similarity	NPD976	Approved
0.6446	Remote Similarity	NPD4436	Clinical (unspecified phase)
0.6446	Remote Similarity	NPD975	Approved
0.6446	Remote Similarity	NPD977	Approved
0.6446	Remote Similarity	NPD2165	Phase 1
0.6442	Remote Similarity	NPD4547	Phase 3
0.6442	Remote Similarity	NPD2089	Clinical (unspecified phase)
0.6441	Remote Similarity	NPD1708	Approved
0.6441	Remote Similarity	NPD1707	Approved
0.644	Remote Similarity	NPD2509	Approved
0.644	Remote Similarity	NPD2510	Approved
0.6438	Remote Similarity	NPD4805	Approved
0.6433	Remote Similarity	NPD4174	Clinical (unspecified phase)
0.6432	Remote Similarity	NPD7948	Phase 1
0.6429	Remote Similarity	NPD5255	Approved
0.6429	Remote Similarity	NPD1554	Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID
ChEMBL	CHEMBL1092399
ZINC

Physicochemical Properties

Molecular Weight:	259.17
ALogP:	-1.2874
MLogP:	2.67
XLogP:	3.047
# Rotatable Bonds:	9
Polar Surface Area:	49.41
# H-Bond Aceptor:	4
# H-Bond Donor:	2
# Rings:	2
# Heavy Atoms:	19

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