NPASS Natural Product

Natural Product: NPC13880

Natural Product ID:	NPC13880
Common Name:	Arvelexin
IUPAC Name:	2-(4-methoxy-1H-indol-3-yl)acetonitrile
Synonyms:	Arvelexin
Molecular Formula:	C11H10N2O
Standard InCHIKey:	DHOVDDVYXBMXDM-UHFFFAOYSA-N
Standard InCHI:	InChI=1S/C11H10N2O/c1-14-10-4-2-3-9-11(10)8(5-6-12)7-13-9/h2-4,7,13H,5H2,1H3
Canonical SMILES:	N#CCc1c[nH]c2c1c(OC)ccc2
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
NPO31050	Isatis indigotica	Species	Brassicaceae	Eukaryota	Roots	Anhui, China		PMID[22694318]

Biological Activity

Activity Type	# Activity
IC50	4

Activity Type	# Activity
Cell Line	3
Organism	1

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT113	Cell Line	RAW264.7	Mus musculus	IC50	=	13920	nM	25356913
NPT742	Organism	Influenza A virus	Influenza A virus	IC50	=	3700	nM	21420859
NPT113	Cell Line	RAW264.7	Mus musculus	IC50	=	206600	nM	22698782
NPT113	Cell Line	RAW264.7	Mus musculus	IC50	=	83600	nM	22738629

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 NPC13880 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	484
0.1-0.2	4529
0.2-0.3	8243
0.3-0.4	9570
0.4-0.5	4847
0.5-0.6	1751
0.6-0.7	1014
0.7-0.8	397
0.8-0.85	33
0.85-0.9	15
0.9-0.95	6
0.95-1	0

Similarity Score	Similarity Level	Natural Product ID
0.9126	High Similarity	NPC121772
0.9105	High Similarity	NPC470549
0.9101	High Similarity	NPC296527
0.9058	High Similarity	NPC170114
0.905	High Similarity	NPC76748
0.9	High Similarity	NPC92111
0.8901	High Similarity	NPC307963
0.8895	High Similarity	NPC11464
0.8871	High Similarity	NPC232727
0.8804	High Similarity	NPC251090
0.8771	High Similarity	NPC84478
0.873	High Similarity	NPC285558
0.8696	High Similarity	NPC106937
0.8626	High Similarity	NPC46580
0.8617	High Similarity	NPC176538
0.8519	High Similarity	NPC19872
0.8513	High Similarity	NPC316981
0.8508	High Similarity	NPC176127
0.8505	High Similarity	NPC167860
0.8505	High Similarity	NPC123976
0.8503	High Similarity	NPC242209
0.8389	Intermediate Similarity	NPC96890
0.8361	Intermediate Similarity	NPC204717
0.8358	Intermediate Similarity	NPC310118
0.8351	Intermediate Similarity	NPC131017
0.8325	Intermediate Similarity	NPC315957
0.8315	Intermediate Similarity	NPC314002
0.8308	Intermediate Similarity	NPC476465
0.8306	Intermediate Similarity	NPC220765
0.827	Intermediate Similarity	NPC171171
0.8259	Intermediate Similarity	NPC193267
0.8259	Intermediate Similarity	NPC213530
0.8229	Intermediate Similarity	NPC329747
0.8196	Intermediate Similarity	NPC245816
0.8196	Intermediate Similarity	NPC476138
0.8182	Intermediate Similarity	NPC208284
0.8177	Intermediate Similarity	NPC60621
0.8173	Intermediate Similarity	NPC174672
0.8168	Intermediate Similarity	NPC243834
0.8168	Intermediate Similarity	NPC70956
0.8155	Intermediate Similarity	NPC110151
0.8125	Intermediate Similarity	NPC72211
0.8122	Intermediate Similarity	NPC474409
0.8115	Intermediate Similarity	NPC70259
0.81	Intermediate Similarity	NPC266931
0.8087	Intermediate Similarity	NPC184964
0.8081	Intermediate Similarity	NPC185782
0.8079	Intermediate Similarity	NPC131718
0.8063	Intermediate Similarity	NPC43787
0.8063	Intermediate Similarity	NPC205934
0.8043	Intermediate Similarity	NPC72980
0.8033	Intermediate Similarity	NPC224764
0.801	Intermediate Similarity	NPC122436
0.801	Intermediate Similarity	NPC162484
0.7989	Intermediate Similarity	NPC102423
0.7979	Intermediate Similarity	NPC267928
0.7969	Intermediate Similarity	NPC326634
0.796	Intermediate Similarity	NPC26679
0.7958	Intermediate Similarity	NPC99666
0.7949	Intermediate Similarity	NPC329793
0.7946	Intermediate Similarity	NPC42979
0.794	Intermediate Similarity	NPC475910
0.7933	Intermediate Similarity	NPC153467
0.7931	Intermediate Similarity	NPC148183
0.7931	Intermediate Similarity	NPC152768
0.7921	Intermediate Similarity	NPC230869
0.79	Intermediate Similarity	NPC174758
0.7889	Intermediate Similarity	NPC193777
0.7871	Intermediate Similarity	NPC128084
0.7868	Intermediate Similarity	NPC135887
0.7868	Intermediate Similarity	NPC475085
0.7868	Intermediate Similarity	NPC475112
0.7868	Intermediate Similarity	NPC291535
0.7868	Intermediate Similarity	NPC199277
0.7847	Intermediate Similarity	NPC227908
0.7843	Intermediate Similarity	NPC8022
0.7843	Intermediate Similarity	NPC470799
0.7833	Intermediate Similarity	NPC471080
0.7833	Intermediate Similarity	NPC469592
0.7833	Intermediate Similarity	NPC177404
0.7826	Intermediate Similarity	NPC313791
0.7824	Intermediate Similarity	NPC84853
0.7819	Intermediate Similarity	NPC212535
0.7817	Intermediate Similarity	NPC476044
0.7817	Intermediate Similarity	NPC267423
0.7801	Intermediate Similarity	NPC242928
0.7797	Intermediate Similarity	NPC26872
0.7795	Intermediate Similarity	NPC77555
0.7795	Intermediate Similarity	NPC156704
0.7783	Intermediate Similarity	NPC260434
0.7778	Intermediate Similarity	NPC86078
0.7778	Intermediate Similarity	NPC284678
0.7773	Intermediate Similarity	NPC314954
0.775	Intermediate Similarity	NPC476106
0.7745	Intermediate Similarity	NPC162530
0.7745	Intermediate Similarity	NPC476287
0.7744	Intermediate Similarity	NPC194967
0.7737	Intermediate Similarity	NPC94943
0.773	Intermediate Similarity	NPC111624
0.7723	Intermediate Similarity	NPC80596
0.7723	Intermediate Similarity	NPC201697
0.7692	Intermediate Similarity	NPC477533
0.7692	Intermediate Similarity	NPC311276
0.7685	Intermediate Similarity	NPC235685
0.7684	Intermediate Similarity	NPC190007
0.7681	Intermediate Similarity	NPC469594
0.768	Intermediate Similarity	NPC324149
0.7677	Intermediate Similarity	NPC45459
0.7677	Intermediate Similarity	NPC213308
0.7677	Intermediate Similarity	NPC234197
0.7677	Intermediate Similarity	NPC315491
0.7673	Intermediate Similarity	NPC82548
0.7672	Intermediate Similarity	NPC474798
0.767	Intermediate Similarity	NPC274982
0.7667	Intermediate Similarity	NPC26850
0.7664	Intermediate Similarity	NPC469554
0.7659	Intermediate Similarity	NPC478074
0.765	Intermediate Similarity	NPC475774
0.765	Intermediate Similarity	NPC101350
0.7642	Intermediate Similarity	NPC473185
0.7633	Intermediate Similarity	NPC305984
0.763	Intermediate Similarity	NPC279081
0.7629	Intermediate Similarity	NPC138370
0.7626	Intermediate Similarity	NPC287437
0.7624	Intermediate Similarity	NPC183777
0.7624	Intermediate Similarity	NPC249583
0.7624	Intermediate Similarity	NPC4687
0.7617	Intermediate Similarity	NPC32771
0.7612	Intermediate Similarity	NPC476581
0.7612	Intermediate Similarity	NPC16452
0.7612	Intermediate Similarity	NPC36229
0.7612	Intermediate Similarity	NPC475070
0.761	Intermediate Similarity	NPC310211
0.761	Intermediate Similarity	NPC48353
0.761	Intermediate Similarity	NPC94157
0.761	Intermediate Similarity	NPC308137
0.76	Intermediate Similarity	NPC295898
0.7598	Intermediate Similarity	NPC469760
0.7598	Intermediate Similarity	NPC73952
0.7598	Intermediate Similarity	NPC469763
0.7598	Intermediate Similarity	NPC259644
0.7598	Intermediate Similarity	NPC469786
0.7598	Intermediate Similarity	NPC471304
0.7598	Intermediate Similarity	NPC469765
0.7598	Intermediate Similarity	NPC25008
0.7596	Intermediate Similarity	NPC473041
0.7596	Intermediate Similarity	NPC303658
0.7586	Intermediate Similarity	NPC287208
0.7585	Intermediate Similarity	NPC288349
0.7581	Intermediate Similarity	NPC101543
0.7562	Intermediate Similarity	NPC223427
0.756	Intermediate Similarity	NPC292958
0.756	Intermediate Similarity	NPC74360
0.7557	Intermediate Similarity	NPC159856
0.7557	Intermediate Similarity	NPC78609
0.7556	Intermediate Similarity	NPC70922
0.7556	Intermediate Similarity	NPC212376
0.7556	Intermediate Similarity	NPC80597
0.7556	Intermediate Similarity	NPC211572
0.7556	Intermediate Similarity	NPC75540
0.7552	Intermediate Similarity	NPC163421
0.7552	Intermediate Similarity	NPC188387
0.7543	Intermediate Similarity	NPC190296
0.7541	Intermediate Similarity	NPC282231
0.7539	Intermediate Similarity	NPC469358
0.7538	Intermediate Similarity	NPC476167
0.7538	Intermediate Similarity	NPC128823
0.7537	Intermediate Similarity	NPC88008
0.7536	Intermediate Similarity	NPC116238
0.7535	Intermediate Similarity	NPC475253
0.7529	Intermediate Similarity	NPC230002
0.7525	Intermediate Similarity	NPC470930
0.7524	Intermediate Similarity	NPC296482
0.7524	Intermediate Similarity	NPC53069
0.7524	Intermediate Similarity	NPC202768
0.7514	Intermediate Similarity	NPC469785
0.7512	Intermediate Similarity	NPC5145
0.7512	Intermediate Similarity	NPC264285
0.7512	Intermediate Similarity	NPC46561
0.75	Intermediate Similarity	NPC133140
0.75	Intermediate Similarity	NPC195268
0.7489	Intermediate Similarity	NPC11408
0.7488	Intermediate Similarity	NPC477532
0.7487	Intermediate Similarity	NPC192315
0.7486	Intermediate Similarity	NPC279918
0.7486	Intermediate Similarity	NPC24678
0.7486	Intermediate Similarity	NPC105818
0.7476	Intermediate Similarity	NPC87413
0.7476	Intermediate Similarity	NPC473179
0.7475	Intermediate Similarity	NPC222018
0.7475	Intermediate Similarity	NPC200836
0.7474	Intermediate Similarity	NPC88363
0.7473	Intermediate Similarity	NPC469762
0.7465	Intermediate Similarity	NPC180504
0.7464	Intermediate Similarity	NPC169402
0.7463	Intermediate Similarity	NPC31930
0.7463	Intermediate Similarity	NPC469589
0.7458	Intermediate Similarity	NPC314372
0.7457	Intermediate Similarity	NPC84911
0.745	Intermediate Similarity	NPC187558

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC13880 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	292
0.1-0.2	755
0.2-0.3	947
0.3-0.4	1369
0.4-0.5	2605
0.5-0.6	2086
0.6-0.7	913
0.7-0.8	174
0.8-0.85	14
0.85-0.9	6
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.8901	High Similarity	NPD1304	Clinical (unspecified phase)
0.8901	High Similarity	NPD1038	Approved
0.8836	High Similarity	NPD1392	Approved
0.8696	High Similarity	NPD802	Phase 2
0.8557	High Similarity	NPD5066	Phase 2
0.8557	High Similarity	NPD5067	Phase 2
0.8466	Intermediate Similarity	NPD1768	Approved
0.8394	Intermediate Similarity	NPD3003	Approved
0.8342	Intermediate Similarity	NPD4795	Phase 2
0.8325	Intermediate Similarity	NPD1739	Approved
0.8325	Intermediate Similarity	NPD1740	Approved
0.8308	Intermediate Similarity	NPD2189	Approved
0.8308	Intermediate Similarity	NPD2187	Approved
0.8272	Intermediate Similarity	NPD3825	Phase 3
0.806	Intermediate Similarity	NPD5903	Approved
0.806	Intermediate Similarity	NPD5902	Approved
0.8048	Intermediate Similarity	NPD7558	Phase 2
0.803	Intermediate Similarity	NPD5658	Approved
0.803	Intermediate Similarity	NPD6985	Discontinued
0.801	Intermediate Similarity	NPD1322	Clinical (unspecified phase)
0.799	Intermediate Similarity	NPD7194	Discontinued
0.799	Intermediate Similarity	NPD4118	Clinical (unspecified phase)
0.798	Intermediate Similarity	NPD7823	Clinical (unspecified phase)
0.7969	Intermediate Similarity	NPD3324	Clinical (unspecified phase)
0.7931	Intermediate Similarity	NPD5612	Discontinued
0.7917	Intermediate Similarity	NPD5575	Clinical (unspecified phase)
0.7864	Intermediate Similarity	NPD6242	Discontinued
0.7857	Intermediate Similarity	NPD5559	Phase 2
0.7778	Intermediate Similarity	NPD2921	Clinical (unspecified phase)
0.7767	Intermediate Similarity	NPD5632	Approved
0.7704	Intermediate Similarity	NPD7948	Phase 1
0.7677	Intermediate Similarity	NPD484	Approved
0.7676	Intermediate Similarity	NPD1078	Clinical (unspecified phase)
0.7629	Intermediate Similarity	NPD2334	Discontinued
0.7525	Intermediate Similarity	NPD2952	Discontinued
0.7525	Intermediate Similarity	NPD3397	Phase 2
0.7524	Intermediate Similarity	NPD3816	Phase 1
0.7524	Intermediate Similarity	NPD3815	Phase 1
0.75	Intermediate Similarity	NPD3924	Approved
0.75	Intermediate Similarity	NPD3922	Approved
0.75	Intermediate Similarity	NPD5065	Approved
0.75	Intermediate Similarity	NPD5482	Discontinued
0.75	Intermediate Similarity	NPD3923	Approved
0.75	Intermediate Similarity	NPD3921	Approved
0.7488	Intermediate Similarity	NPD8512	Phase 3
0.7476	Intermediate Similarity	NPD3402	Phase 1
0.7473	Intermediate Similarity	NPD6872	Clinical (unspecified phase)
0.7463	Intermediate Similarity	NPD4437	Phase 3
0.744	Intermediate Similarity	NPD3330	Phase 1
0.7433	Intermediate Similarity	NPD565	Phase 2
0.7424	Intermediate Similarity	NPD4418	Discontinued
0.7423	Intermediate Similarity	NPD5256	Discontinued
0.7421	Intermediate Similarity	NPD4072	Approved
0.7421	Intermediate Similarity	NPD4071	Approved
0.7399	Intermediate Similarity	NPD198	Clinical (unspecified phase)
0.7396	Intermediate Similarity	NPD4203	Approved
0.7396	Intermediate Similarity	NPD4204	Approved
0.7396	Intermediate Similarity	NPD3386	Phase 2
0.7385	Intermediate Similarity	NPD1033	Clinical (unspecified phase)
0.7385	Intermediate Similarity	NPD1034	Phase 3
0.7382	Intermediate Similarity	NPD1620	Clinical (unspecified phase)
0.7379	Intermediate Similarity	NPD2125	Clinical (unspecified phase)
0.7371	Intermediate Similarity	NPD786	Approved
0.7366	Intermediate Similarity	NPD3930	Clinical (unspecified phase)
0.7363	Intermediate Similarity	NPD4548	Discontinued
0.7358	Intermediate Similarity	NPD5930	Phase 3
0.734	Intermediate Similarity	NPD4184	Clinical (unspecified phase)
0.734	Intermediate Similarity	NPD1325	Approved
0.734	Intermediate Similarity	NPD1326	Approved
0.7337	Intermediate Similarity	NPD6861	Clinical (unspecified phase)
0.7333	Intermediate Similarity	NPD4921	Phase 3
0.7333	Intermediate Similarity	NPD4919	Phase 3
0.7333	Intermediate Similarity	NPD4920	Clinical (unspecified phase)
0.7317	Intermediate Similarity	NPD8403	Phase 1
0.7317	Intermediate Similarity	NPD3932	Clinical (unspecified phase)
0.7316	Intermediate Similarity	NPD1923	Clinical (unspecified phase)
0.7308	Intermediate Similarity	NPD3570	Phase 2
0.73	Intermediate Similarity	NPD3478	Clinical (unspecified phase)
0.73	Intermediate Similarity	NPD3477	Phase 2
0.7286	Intermediate Similarity	NPD6140	Clinical (unspecified phase)
0.7273	Intermediate Similarity	NPD926	Approved
0.7273	Intermediate Similarity	NPD925	Approved
0.7268	Intermediate Similarity	NPD4034	Approved
0.7268	Intermediate Similarity	NPD32	Approved
0.7268	Intermediate Similarity	NPD4035	Approved
0.7268	Intermediate Similarity	NPD4122	Approved
0.7268	Intermediate Similarity	NPD4039	Approved
0.7268	Intermediate Similarity	NPD4038	Approved
0.7268	Intermediate Similarity	NPD4037	Approved
0.7268	Intermediate Similarity	NPD4036	Approved
0.7268	Intermediate Similarity	NPD4033	Approved
0.7268	Intermediate Similarity	NPD31	Approved
0.7264	Intermediate Similarity	NPD1622	Discontinued
0.7255	Intermediate Similarity	NPD6975	Discontinued
0.725	Intermediate Similarity	NPD978	Clinical (unspecified phase)
0.7246	Intermediate Similarity	NPD2509	Approved
0.7246	Intermediate Similarity	NPD2510	Approved
0.7244	Intermediate Similarity	NPD5483	Clinical (unspecified phase)
0.7241	Intermediate Similarity	NPD4396	Clinical (unspecified phase)
0.7236	Intermediate Similarity	NPD6569	Phase 2
0.7233	Intermediate Similarity	NPD4862	Clinical (unspecified phase)
0.723	Intermediate Similarity	NPD3763	Approved
0.7227	Intermediate Similarity	NPD6494	Phase 2
0.7225	Intermediate Similarity	NPD949	Phase 1
0.722	Intermediate Similarity	NPD2121	Clinical (unspecified phase)
0.7216	Intermediate Similarity	NPD7414	Clinical (unspecified phase)
0.7204	Intermediate Similarity	NPD112	Approved
0.7204	Intermediate Similarity	NPD9705	Discontinued
0.72	Intermediate Similarity	NPD7068	Approved
0.72	Intermediate Similarity	NPD7067	Approved
0.7198	Intermediate Similarity	NPD7453	Approved
0.7198	Intermediate Similarity	NPD7452	Approved
0.7198	Intermediate Similarity	NPD7222	Phase 2
0.7194	Intermediate Similarity	NPD4889	Approved
0.7191	Intermediate Similarity	NPD1722	Approved
0.7191	Intermediate Similarity	NPD8284	Discontinued
0.7189	Intermediate Similarity	NPD7674	Phase 3
0.7189	Intermediate Similarity	NPD7426	Phase 1
0.7189	Intermediate Similarity	NPD7676	Clinical (unspecified phase)
0.7189	Intermediate Similarity	NPD7675	Phase 3
0.7189	Intermediate Similarity	NPD7051	Phase 3
0.7189	Intermediate Similarity	NPD7050	Clinical (unspecified phase)
0.7188	Intermediate Similarity	NPD749	Clinical (unspecified phase)
0.7186	Intermediate Similarity	NPD5912	Clinical (unspecified phase)
0.7186	Intermediate Similarity	NPD5913	Phase 3
0.7183	Intermediate Similarity	NPD3354	Phase 2
0.7183	Intermediate Similarity	NPD2011	Clinical (unspecified phase)
0.7172	Intermediate Similarity	NPD4021	Phase 2
0.717	Intermediate Similarity	NPD6803	Clinical (unspecified phase)
0.7169	Intermediate Similarity	NPD4952	Phase 3
0.7168	Intermediate Similarity	NPD6230	Discontinued
0.7167	Intermediate Similarity	NPD6531	Approved
0.7167	Intermediate Similarity	NPD6530	Approved
0.7165	Intermediate Similarity	NPD6595	Phase 3
0.7164	Intermediate Similarity	NPD3395	Approved
0.7164	Intermediate Similarity	NPD3396	Approved
0.7158	Intermediate Similarity	NPD814	Clinical (unspecified phase)
0.7156	Intermediate Similarity	NPD6473	Phase 1
0.715	Intermediate Similarity	NPD4372	Phase 1
0.715	Intermediate Similarity	NPD2144	Approved
0.715	Intermediate Similarity	NPD1032	Phase 2
0.715	Intermediate Similarity	NPD5751	Clinical (unspecified phase)
0.7149	Intermediate Similarity	NPD2471	Approved
0.7149	Intermediate Similarity	NPD2472	Approved
0.7135	Intermediate Similarity	NPD482	Approved
0.7124	Intermediate Similarity	NPD7413	Phase 3
0.7123	Intermediate Similarity	NPD7555	Discontinued
0.7119	Intermediate Similarity	NPD5450	Discontinued
0.7117	Intermediate Similarity	NPD6964	Approved
0.7117	Intermediate Similarity	NPD6963	Approved
0.7111	Intermediate Similarity	NPD6790	Phase 1
0.7107	Intermediate Similarity	NPD6344	Clinical (unspecified phase)
0.7107	Intermediate Similarity	NPD7424	Clinical (unspecified phase)
0.7103	Intermediate Similarity	NPD8405	Clinical (unspecified phase)
0.7097	Intermediate Similarity	NPD2582	Approved
0.7097	Intermediate Similarity	NPD6306	Phase 2
0.7097	Intermediate Similarity	NPD2581	Approved
0.7093	Intermediate Similarity	NPD4349	Approved
0.7093	Intermediate Similarity	NPD4350	Approved
0.7087	Intermediate Similarity	NPD5669	Clinical (unspecified phase)
0.7085	Intermediate Similarity	NPD3006	Discontinued
0.7081	Intermediate Similarity	NPD5529	Phase 1
0.7081	Intermediate Similarity	NPD5528	Clinical (unspecified phase)
0.7072	Intermediate Similarity	NPD4373	Phase 2
0.7067	Intermediate Similarity	NPD5530	Phase 1
0.7062	Intermediate Similarity	NPD6220	Phase 3
0.7062	Intermediate Similarity	NPD7470	Discontinued
0.7049	Intermediate Similarity	NPD3100	Discontinued
0.7048	Intermediate Similarity	NPD4440	Clinical (unspecified phase)
0.7041	Intermediate Similarity	NPD3038	Discontinued
0.7028	Intermediate Similarity	NPD7069	Discontinued
0.7026	Intermediate Similarity	NPD3920	Phase 2
0.7024	Intermediate Similarity	NPD3814	Phase 1
0.7024	Intermediate Similarity	NPD5999	Phase 2
0.7023	Intermediate Similarity	NPD4429	Discontinued
0.7022	Intermediate Similarity	NPD7729	Clinical (unspecified phase)
0.7021	Intermediate Similarity	NPD1418	Phase 2
0.7016	Intermediate Similarity	NPD5069	Clinical (unspecified phase)
0.7014	Intermediate Similarity	NPD7567	Approved
0.7014	Intermediate Similarity	NPD6969	Phase 2
0.7014	Intermediate Similarity	NPD6968	Phase 2
0.7011	Intermediate Similarity	NPD2172	Phase 1
0.701	Intermediate Similarity	NPD6769	Clinical (unspecified phase)
0.7009	Intermediate Similarity	NPD4454	Phase 2
0.7009	Intermediate Similarity	NPD1259	Discontinued
0.7005	Intermediate Similarity	NPD2094	Phase 2
0.7005	Intermediate Similarity	NPD3931	Approved
0.7005	Intermediate Similarity	NPD2095	Phase 2
0.7005	Intermediate Similarity	NPD2092	Phase 2
0.7005	Intermediate Similarity	NPD3928	Approved
0.7	Intermediate Similarity	NPD5863	Clinical (unspecified phase)
0.7	Intermediate Similarity	NPD2916	Discontinued
0.7	Intermediate Similarity	NPD1592	Phase 3
0.7	Intermediate Similarity	NPD4558	Phase 2
0.6995	Remote Similarity	NPD3810	Clinical (unspecified phase)
0.6995	Remote Similarity	NPD1951	Clinical (unspecified phase)
0.699	Remote Similarity	NPD2599	Approved
0.699	Remote Similarity	NPD2601	Approved
0.699	Remote Similarity	NPD2600	Approved
0.6986	Remote Similarity	NPD4890	Phase 2

Structure

External Identifiers

PubChem CID	119406
ChEMBL	CHEMBL2063293
ZINC

Physicochemical Properties

Molecular Weight:	186.08
ALogP:	-0.4027
MLogP:	2.34
XLogP:	1.135
# Rotatable Bonds:	3
Polar Surface Area:	48.81
# H-Bond Aceptor:	2
# H-Bond Donor:	1
# Rings:	2
# Heavy Atoms:	14

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