NPASS Natural Product

Natural Product: NPC112489

Natural Product ID:	NPC112489
Common Name:	Agelastatin A
IUPAC Name:
Synonyms:
Molecular Formula:	C12H13BrN4O3
Standard InCHIKey:	MPASKXAEPUAMBS-WJOUQXRDSA-N
Standard InCHI:	InChI=1S/C12H13BrN4O3/c1-16-11(19)15-9-8-6(4-12(9,16)20)17-5(10(18)14-8)2-3-7(17)13/h2-3,6,8-9,20H,4H2,1H3,(H,14,18)(H,15,19)/t6-,8-,9+,12+/m1/s1
Canonical SMILES:	OC1=N[C@@H]2[C@@](N1C)(O)C[C@@H]1[C@H]2NC(=O)c2n1c(Br)cc2
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
NPO19163	Agelas dendromorpha	Species	Agelasidae	Eukaryota				PMID[20166736]

Biological Activity

Activity Type	# Activity
EC50	9
IC50	14
Others	2

Activity Type	# Activity
Cell Line	8
Others	17

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT80	Cell Line	Raji	Homo sapiens	IC50	=	140	nM	20547801
NPT2	Others	Unspecified		EC50	=	370	nM	15620246
NPT2	Others	Unspecified		EC50	=	290	nM	18752959
NPT2	Others	Unspecified		EC50	=	240	nM	18752959
NPT2	Others	Unspecified		EC50	=	280	nM	18752959
NPT2	Others	Unspecified		EC50	=	160	nM	18752959
NPT91	Cell Line	KB	Homo sapiens	IC50	=	0.5	ug/ml	18479163
NPT2	Others	Unspecified		EC50	>	1000	nM	18479163
NPT2	Others	Unspecified		IC50	=	60	nM	9548866
NPT90	Cell Line	DU-145	Homo sapiens	IC50	=	2300	nM	10.6019/CHEMBL1201861
NPT165	Cell Line	HeLa	Homo sapiens	IC50	=	84	nM	17489580
NPT2	Others	Unspecified		EC50	=	1150	nM	10.1007/s00044-009-9273-x
NPT91	Cell Line	KB	Homo sapiens	Activity	=	100	%	PubChem BioAssay data set
NPT1718	Cell Line	A431	Homo sapiens	IC50	=	460	nM	11809075
NPT2	Others	Unspecified		IC50	=	320	nM	8496706
NPT2	Others	Unspecified		IC50	=	2800	nM	22364746
NPT2	Others	Unspecified		IC50	=	170	nM	24012378
NPT2	Others	Unspecified		IC50	=	930	nM	19222165
NPT2	Others	Unspecified		IC50	=	710	nM	25497963
NPT165	Cell Line	HeLa	Homo sapiens	EC50	=	110	nM	DrugMatrix in vitro pharmacology data
NPT2	Others	Unspecified		IC50	=	440	nM	22130133
NPT2	Others	Unspecified		IC50	=	380	nM	22130133
NPT2	Others	Unspecified		EC50	=	310	nM	10.1016/S0960-894X(97)00324-7
NPT2	Others	Unspecified		IC50	=	710	nM	16472241

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 NPC112489 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	304
0.1-0.2	10229
0.2-0.3	14389
0.3-0.4	2526
0.4-0.5	2040
0.5-0.6	1243
0.6-0.7	112
0.7-0.8	32
0.8-0.85	11
0.85-0.9	1
0.9-0.95	0
0.95-1	2

Similarity Score	Similarity Level	Natural Product ID
0.988	High Similarity	NPC46022
0.9593	High Similarity	NPC46811
0.869	High Similarity	NPC476418
0.8448	Intermediate Similarity	NPC97106
0.84	Intermediate Similarity	NPC136441
0.8314	Intermediate Similarity	NPC474383
0.8222	Intermediate Similarity	NPC469814
0.8129	Intermediate Similarity	NPC27296
0.8023	Intermediate Similarity	NPC226835
0.8023	Intermediate Similarity	NPC28096
0.8023	Intermediate Similarity	NPC476421
0.8023	Intermediate Similarity	NPC227489
0.8012	Intermediate Similarity	NPC474236
0.8011	Intermediate Similarity	NPC476413
0.7968	Intermediate Similarity	NPC476414
0.7877	Intermediate Similarity	NPC80528
0.7841	Intermediate Similarity	NPC206148
0.7722	Intermediate Similarity	NPC54214
0.7637	Intermediate Similarity	NPC37268
0.7627	Intermediate Similarity	NPC473706
0.7542	Intermediate Similarity	NPC306160
0.7527	Intermediate Similarity	NPC184932
0.7527	Intermediate Similarity	NPC472861
0.75	Intermediate Similarity	NPC9635
0.75	Intermediate Similarity	NPC476423
0.746	Intermediate Similarity	NPC63571
0.7421	Intermediate Similarity	NPC310633
0.7399	Intermediate Similarity	NPC260041
0.7368	Intermediate Similarity	NPC111566
0.7306	Intermediate Similarity	NPC210123
0.7262	Intermediate Similarity	NPC20021
0.7231	Intermediate Similarity	NPC19342
0.7158	Intermediate Similarity	NPC73687
0.7136	Intermediate Similarity	NPC19696
0.7136	Intermediate Similarity	NPC136957
0.7129	Intermediate Similarity	NPC469717
0.7118	Intermediate Similarity	NPC150592
0.7114	Intermediate Similarity	NPC469716
0.7108	Intermediate Similarity	NPC476524
0.7105	Intermediate Similarity	NPC40530
0.7105	Intermediate Similarity	NPC314281
0.7035	Intermediate Similarity	NPC174281
0.7035	Intermediate Similarity	NPC475286
0.7027	Intermediate Similarity	NPC2414
0.7021	Intermediate Similarity	NPC271927
0.7	Intermediate Similarity	NPC109158
0.6942	Remote Similarity	NPC476525
0.6906	Remote Similarity	NPC472260
0.69	Remote Similarity	NPC476526
0.69	Remote Similarity	NPC329765
0.69	Remote Similarity	NPC48117
0.6898	Remote Similarity	NPC474696
0.6878	Remote Similarity	NPC469976
0.6856	Remote Similarity	NPC270834
0.681	Remote Similarity	NPC469715
0.6758	Remote Similarity	NPC52110
0.6733	Remote Similarity	NPC77061
0.6667	Remote Similarity	NPC476527
0.6649	Remote Similarity	NPC298288
0.661	Remote Similarity	NPC472288
0.6598	Remote Similarity	NPC476419
0.6535	Remote Similarity	NPC243716
0.6524	Remote Similarity	NPC142688
0.6509	Remote Similarity	NPC66642
0.6498	Remote Similarity	NPC475736
0.6497	Remote Similarity	NPC291517
0.6492	Remote Similarity	NPC233380
0.6471	Remote Similarity	NPC33229
0.6419	Remote Similarity	NPC473218
0.6419	Remote Similarity	NPC470702
0.6419	Remote Similarity	NPC471193
0.6419	Remote Similarity	NPC471194
0.6389	Remote Similarity	NPC470703
0.6368	Remote Similarity	NPC133003
0.6359	Remote Similarity	NPC50562
0.6346	Remote Similarity	NPC474389
0.6343	Remote Similarity	NPC153980
0.6343	Remote Similarity	NPC6865
0.633	Remote Similarity	NPC67658
0.6316	Remote Similarity	NPC477004
0.6313	Remote Similarity	NPC23215
0.6311	Remote Similarity	NPC474180
0.6311	Remote Similarity	NPC188821
0.6307	Remote Similarity	NPC71236
0.6296	Remote Similarity	NPC209362
0.6296	Remote Similarity	NPC72956
0.6291	Remote Similarity	NPC471191
0.6263	Remote Similarity	NPC74357
0.625	Remote Similarity	NPC91179
0.6238	Remote Similarity	NPC21429
0.6238	Remote Similarity	NPC474767
0.6216	Remote Similarity	NPC474195
0.6212	Remote Similarity	NPC469529
0.6207	Remote Similarity	NPC311282
0.619	Remote Similarity	NPC171317
0.6183	Remote Similarity	NPC467188
0.6182	Remote Similarity	NPC177996
0.6182	Remote Similarity	NPC147983
0.6182	Remote Similarity	NPC471192
0.6176	Remote Similarity	NPC94752
0.6172	Remote Similarity	NPC179701
0.6171	Remote Similarity	NPC168209
0.617	Remote Similarity	NPC13432
0.6168	Remote Similarity	NPC473376
0.6167	Remote Similarity	NPC156003
0.6165	Remote Similarity	NPC324091
0.6161	Remote Similarity	NPC243633
0.6161	Remote Similarity	NPC175150
0.6158	Remote Similarity	NPC228835
0.6146	Remote Similarity	NPC213914
0.6146	Remote Similarity	NPC17059
0.6143	Remote Similarity	NPC272174
0.6143	Remote Similarity	NPC262898
0.6138	Remote Similarity	NPC473878
0.6133	Remote Similarity	NPC476817
0.6119	Remote Similarity	NPC265710
0.6119	Remote Similarity	NPC11126
0.6119	Remote Similarity	NPC219336
0.6117	Remote Similarity	NPC100726
0.6117	Remote Similarity	NPC213629
0.6117	Remote Similarity	NPC105811
0.6111	Remote Similarity	NPC270918
0.6108	Remote Similarity	NPC470205
0.6108	Remote Similarity	NPC159125
0.6106	Remote Similarity	NPC474196
0.6099	Remote Similarity	NPC195704
0.6099	Remote Similarity	NPC200397
0.6099	Remote Similarity	NPC98156
0.6099	Remote Similarity	NPC64661
0.6099	Remote Similarity	NPC292434
0.6099	Remote Similarity	NPC14448
0.6099	Remote Similarity	NPC167200
0.6099	Remote Similarity	NPC138596
0.6095	Remote Similarity	NPC292361
0.6089	Remote Similarity	NPC16659
0.608	Remote Similarity	NPC161861
0.6078	Remote Similarity	NPC477003
0.6073	Remote Similarity	NPC320968
0.607	Remote Similarity	NPC15573
0.607	Remote Similarity	NPC473380
0.607	Remote Similarity	NPC183662
0.607	Remote Similarity	NPC217372
0.607	Remote Similarity	NPC240088
0.6064	Remote Similarity	NPC302159
0.6062	Remote Similarity	NPC64216
0.605	Remote Similarity	NPC186068
0.6047	Remote Similarity	NPC317701
0.6044	Remote Similarity	NPC474896
0.6028	Remote Similarity	NPC471944
0.602	Remote Similarity	NPC151635
0.6018	Remote Similarity	NPC54744
0.6018	Remote Similarity	NPC31097
0.6009	Remote Similarity	NPC293917
0.6009	Remote Similarity	NPC237414
0.6	Remote Similarity	NPC100104
0.6	Remote Similarity	NPC470680
0.6	Remote Similarity	NPC69843
0.6	Remote Similarity	NPC288074
0.599	Remote Similarity	NPC251391
0.5979	Remote Similarity	NPC212742
0.5978	Remote Similarity	NPC313823
0.5969	Remote Similarity	NPC471655
0.5969	Remote Similarity	NPC253687
0.5968	Remote Similarity	NPC12831
0.5968	Remote Similarity	NPC244087
0.5968	Remote Similarity	NPC286529
0.5968	Remote Similarity	NPC74928
0.5968	Remote Similarity	NPC3698
0.5968	Remote Similarity	NPC302717
0.5968	Remote Similarity	NPC59839
0.5968	Remote Similarity	NPC97230
0.5968	Remote Similarity	NPC48171
0.5968	Remote Similarity	NPC205604
0.5968	Remote Similarity	NPC209281
0.5968	Remote Similarity	NPC169308
0.5968	Remote Similarity	NPC129753
0.5968	Remote Similarity	NPC77582
0.5962	Remote Similarity	NPC209917
0.596	Remote Similarity	NPC109447
0.5959	Remote Similarity	NPC75135
0.5953	Remote Similarity	NPC475506
0.5949	Remote Similarity	NPC474492
0.5947	Remote Similarity	NPC220851
0.5946	Remote Similarity	NPC282247
0.5945	Remote Similarity	NPC88115
0.5943	Remote Similarity	NPC79356
0.5943	Remote Similarity	NPC102592
0.5942	Remote Similarity	NPC478077
0.5942	Remote Similarity	NPC135601
0.5942	Remote Similarity	NPC17273
0.5942	Remote Similarity	NPC141612
0.5939	Remote Similarity	NPC274981
0.5939	Remote Similarity	NPC162268
0.5938	Remote Similarity	NPC217021
0.5938	Remote Similarity	NPC70406
0.5938	Remote Similarity	NPC470679
0.5936	Remote Similarity	NPC114033
0.5936	Remote Similarity	NPC71238
0.5936	Remote Similarity	NPC101130
0.5936	Remote Similarity	NPC129412

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC112489 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	182
0.1-0.2	915
0.2-0.3	1543
0.3-0.4	2357
0.4-0.5	2762
0.5-0.6	1313
0.6-0.7	87
0.7-0.8	2
0.8-0.85	0
0.85-0.9	0
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.7157	Intermediate Similarity	NPD2290	Phase 3
0.7157	Intermediate Similarity	NPD2289	Phase 3
0.6904	Remote Similarity	NPD5685	Approved
0.6904	Remote Similarity	NPD5686	Approved
0.6832	Remote Similarity	NPD7459	Phase 2
0.6814	Remote Similarity	NPD7817	Phase 1
0.6718	Remote Similarity	NPD1783	Clinical (unspecified phase)
0.665	Remote Similarity	NPD1096	Discontinued
0.663	Remote Similarity	NPD510	Phase 1
0.657	Remote Similarity	NPD5017	Discontinued
0.6541	Remote Similarity	NPD9343	Clinical (unspecified phase)
0.6535	Remote Similarity	NPD5592	Clinical (unspecified phase)
0.6476	Remote Similarity	NPD8169	Discontinued
0.6462	Remote Similarity	NPD4736	Clinical (unspecified phase)
0.6432	Remote Similarity	NPD3968	Approved
0.6411	Remote Similarity	NPD7903	Clinical (unspecified phase)
0.6406	Remote Similarity	NPD1568	Clinical (unspecified phase)
0.6368	Remote Similarity	NPD4559	Clinical (unspecified phase)
0.6338	Remote Similarity	NPD3410	Approved
0.6338	Remote Similarity	NPD3411	Phase 2
0.6333	Remote Similarity	NPD7727	Phase 2
0.6321	Remote Similarity	NPD8115	Approved
0.6321	Remote Similarity	NPD8114	Approved
0.6308	Remote Similarity	NPD1575	Approved
0.6308	Remote Similarity	NPD1573	Approved
0.6303	Remote Similarity	NPD4134	Clinical (unspecified phase)
0.6291	Remote Similarity	NPD3967	Approved
0.6278	Remote Similarity	NPD7716	Approved
0.6278	Remote Similarity	NPD7717	Approved
0.6269	Remote Similarity	NPD1631	Approved
0.6264	Remote Similarity	NPD569	Clinical (unspecified phase)
0.6256	Remote Similarity	NPD6837	Clinical (unspecified phase)
0.6232	Remote Similarity	NPD5274	Clinical (unspecified phase)
0.6227	Remote Similarity	NPD5643	Phase 2
0.6183	Remote Similarity	NPD175	Clinical (unspecified phase)
0.6182	Remote Similarity	NPD3353	Approved
0.6157	Remote Similarity	NPD7232	Discontinued
0.6154	Remote Similarity	NPD460	Discontinued
0.614	Remote Similarity	NPD7568	Phase 1
0.6133	Remote Similarity	NPD272	Approved
0.6133	Remote Similarity	NPD6173	Approved
0.6129	Remote Similarity	NPD7704	Clinical (unspecified phase)
0.6126	Remote Similarity	NPD1623	Approved
0.6119	Remote Similarity	NPD2590	Clinical (unspecified phase)
0.6114	Remote Similarity	NPD1630	Approved
0.6114	Remote Similarity	NPD2947	Clinical (unspecified phase)
0.6111	Remote Similarity	NPD8493	Clinical (unspecified phase)
0.6103	Remote Similarity	NPD4963	Approved
0.6103	Remote Similarity	NPD4962	Approved
0.6098	Remote Similarity	NPD7026	Phase 2
0.6098	Remote Similarity	NPD5820	Clinical (unspecified phase)
0.6094	Remote Similarity	NPD3360	Clinical (unspecified phase)
0.6089	Remote Similarity	NPD5001	Clinical (unspecified phase)
0.6089	Remote Similarity	NPD1618	Phase 2
0.6083	Remote Similarity	NPD4959	Approved
0.6083	Remote Similarity	NPD4960	Approved
0.6083	Remote Similarity	NPD2442	Approved
0.6083	Remote Similarity	NPD2443	Approved
0.6071	Remote Similarity	NPD6210	Phase 3
0.6067	Remote Similarity	NPD1031	Discontinued
0.6066	Remote Similarity	NPD1952	Discontinued
0.6063	Remote Similarity	NPD2547	Discontinued
0.6059	Remote Similarity	NPD3178	Discontinued
0.6058	Remote Similarity	NPD1658	Discontinued
0.6056	Remote Similarity	NPD4961	Approved
0.6055	Remote Similarity	NPD5510	Approved
0.6054	Remote Similarity	NPD6578	Clinical (unspecified phase)
0.6048	Remote Similarity	NPD7619	Phase 3
0.6048	Remote Similarity	NPD7618	Phase 3
0.604	Remote Similarity	NPD3078	Approved
0.604	Remote Similarity	NPD3076	Approved
0.604	Remote Similarity	NPD3077	Approved
0.604	Remote Similarity	NPD3079	Approved
0.6028	Remote Similarity	NPD5333	Clinical (unspecified phase)
0.6027	Remote Similarity	NPD5198	Approved
0.6027	Remote Similarity	NPD5199	Approved
0.602	Remote Similarity	NPD2367	Phase 2
0.6019	Remote Similarity	NPD6288	Clinical (unspecified phase)
0.6019	Remote Similarity	NPD2130	Discontinued
0.6019	Remote Similarity	NPD3247	Clinical (unspecified phase)
0.6009	Remote Similarity	NPD7308	Discontinued
0.6009	Remote Similarity	NPD6486	Approved
0.6009	Remote Similarity	NPD7621	Clinical (unspecified phase)
0.6009	Remote Similarity	NPD6487	Approved
0.6009	Remote Similarity	NPD5887	Clinical (unspecified phase)
0.6	Remote Similarity	NPD750	Phase 2
0.6	Remote Similarity	NPD2004	Clinical (unspecified phase)
0.6	Remote Similarity	NPD7483	Phase 2
0.6	Remote Similarity	NPD7482	Phase 2
0.5991	Remote Similarity	NPD6753	Phase 1
0.5991	Remote Similarity	NPD6664	Approved
0.5991	Remote Similarity	NPD6752	Phase 1
0.599	Remote Similarity	NPD4988	Discontinued
0.599	Remote Similarity	NPD180	Clinical (unspecified phase)
0.599	Remote Similarity	NPD3246	Discontinued
0.5983	Remote Similarity	NPD6164	Phase 2
0.5983	Remote Similarity	NPD6165	Phase 2
0.5982	Remote Similarity	NPD2819	Clinical (unspecified phase)
0.5982	Remote Similarity	NPD1600	Suspended
0.5971	Remote Similarity	NPD2814	Clinical (unspecified phase)
0.597	Remote Similarity	NPD5322	Clinical (unspecified phase)
0.5968	Remote Similarity	NPD9599	Approved
0.5963	Remote Similarity	NPD1506	Discontinued
0.5963	Remote Similarity	NPD6328	Clinical (unspecified phase)
0.5963	Remote Similarity	NPD4415	Approved
0.5962	Remote Similarity	NPD5016	Approved
0.5961	Remote Similarity	NPD1587	Approved
0.596	Remote Similarity	NPD438	Approved
0.596	Remote Similarity	NPD439	Approved
0.5956	Remote Similarity	NPD6369	Clinical (unspecified phase)
0.5952	Remote Similarity	NPD5973	Phase 2
0.5952	Remote Similarity	NPD5974	Approved
0.5943	Remote Similarity	NPD7027	Phase 3
0.5942	Remote Similarity	NPD5809	Phase 3
0.5939	Remote Similarity	NPD8289	Discontinued
0.5938	Remote Similarity	NPD8406	Clinical (unspecified phase)
0.5936	Remote Similarity	NPD7665	Phase 2
0.5936	Remote Similarity	NPD7666	Phase 3
0.5931	Remote Similarity	NPD1643	Phase 3
0.5929	Remote Similarity	NPD6579	Phase 2
0.5928	Remote Similarity	NPD8013	Clinical (unspecified phase)
0.5926	Remote Similarity	NPD3775	Approved
0.5926	Remote Similarity	NPD3774	Approved
0.5926	Remote Similarity	NPD3773	Approved
0.5922	Remote Similarity	NPD721	Approved
0.592	Remote Similarity	NPD1037	Clinical (unspecified phase)
0.5919	Remote Similarity	NPD7970	Approved
0.5919	Remote Similarity	NPD7971	Clinical (unspecified phase)
0.5915	Remote Similarity	NPD1174	Phase 2
0.5911	Remote Similarity	NPD3041	Approved
0.5911	Remote Similarity	NPD6470	Phase 3
0.5909	Remote Similarity	NPD2408	Discontinued
0.5909	Remote Similarity	NPD4520	Approved
0.5907	Remote Similarity	NPD2911	Approved
0.5907	Remote Similarity	NPD2912	Approved
0.5905	Remote Similarity	NPD5935	Discontinued
0.5892	Remote Similarity	NPD201	Phase 2
0.5892	Remote Similarity	NPD200	Phase 2
0.589	Remote Similarity	NPD6838	Clinical (unspecified phase)
0.5888	Remote Similarity	NPD7204	Clinical (unspecified phase)
0.5885	Remote Similarity	NPD1250	Clinical (unspecified phase)
0.5882	Remote Similarity	NPD7998	Clinical (unspecified phase)
0.5882	Remote Similarity	NPD2222	Discontinued
0.5879	Remote Similarity	NPD4174	Clinical (unspecified phase)
0.5877	Remote Similarity	NPD6209	Approved
0.5877	Remote Similarity	NPD7098	Clinical (unspecified phase)
0.5877	Remote Similarity	NPD6665	Discontinued
0.5876	Remote Similarity	NPD2061	Approved
0.5869	Remote Similarity	NPD7818	Clinical (unspecified phase)
0.5867	Remote Similarity	NPD2787	Clinical (unspecified phase)
0.5867	Remote Similarity	NPD8000	Clinical (unspecified phase)
0.586	Remote Similarity	NPD2405	Phase 3
0.586	Remote Similarity	NPD6249	Phase 2
0.586	Remote Similarity	NPD7000	Clinical (unspecified phase)
0.586	Remote Similarity	NPD6999	Discontinued
0.586	Remote Similarity	NPD6248	Phase 2
0.5855	Remote Similarity	NPD2128	Phase 1
0.5854	Remote Similarity	NPD3989	Phase 3
0.5853	Remote Similarity	NPD6268	Phase 1
0.5853	Remote Similarity	NPD6269	Clinical (unspecified phase)
0.5852	Remote Similarity	NPD9598	Discontinued
0.5845	Remote Similarity	NPD6271	Approved
0.5837	Remote Similarity	NPD3856	Clinical (unspecified phase)
0.583	Remote Similarity	NPD7594	Clinical (unspecified phase)
0.5826	Remote Similarity	NPD4887	Discontinued
0.5825	Remote Similarity	NPD2603	Clinical (unspecified phase)
0.5825	Remote Similarity	NPD3990	Phase 3
0.5823	Remote Similarity	NPD5461	Discontinued
0.5822	Remote Similarity	NPD7543	Phase 2
0.5819	Remote Similarity	NPD1571	Phase 2
0.5819	Remote Similarity	NPD7887	Approved
0.5819	Remote Similarity	NPD7888	Approved
0.5814	Remote Similarity	NPD1982	Phase 1
0.5814	Remote Similarity	NPD772	Phase 3
0.5813	Remote Similarity	NPD1586	Approved
0.5813	Remote Similarity	NPD4883	Approved
0.5813	Remote Similarity	NPD482	Approved
0.5811	Remote Similarity	NPD7809	Clinical (unspecified phase)
0.581	Remote Similarity	NPD1657	Approved
0.581	Remote Similarity	NPD1284	Clinical (unspecified phase)
0.581	Remote Similarity	NPD4334	Discontinued
0.5808	Remote Similarity	NPD6771	Discontinued
0.5804	Remote Similarity	NPD4341	Clinical (unspecified phase)
0.5804	Remote Similarity	NPD7557	Clinical (unspecified phase)
0.5803	Remote Similarity	NPD971	Clinical (unspecified phase)
0.58	Remote Similarity	NPD5611	Phase 2
0.5799	Remote Similarity	NPD5426	Phase 3
0.5799	Remote Similarity	NPD3380	Phase 3
0.5799	Remote Similarity	NPD7712	Clinical (unspecified phase)
0.5799	Remote Similarity	NPD3379	Phase 2
0.5797	Remote Similarity	NPD2138	Approved
0.5797	Remote Similarity	NPD2137	Approved
0.5796	Remote Similarity	NPD1591	Approved
0.5792	Remote Similarity	NPD6376	Discontinued
0.5789	Remote Similarity	NPD3913	Clinical (unspecified phase)
0.5789	Remote Similarity	NPD1996	Discontinued
0.5789	Remote Similarity	NPD3315	Phase 3
0.5789	Remote Similarity	NPD645	Clinical (unspecified phase)
0.5787	Remote Similarity	NPD3425	Discontinued
0.5787	Remote Similarity	NPD5040	Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID	177936
ChEMBL	CHEMBL1096256
ZINC

Physicochemical Properties

Molecular Weight:	340.02
ALogP:	-0.8402
MLogP:	1.9
XLogP:	1.162
# Rotatable Bonds:	4
Polar Surface Area:	90.09
# H-Bond Aceptor:	7
# H-Bond Donor:	3
# Rings:	4
# Heavy Atoms:	20

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