NPASS Natural Product

Natural Product: NPC209917

Natural Product ID:	NPC209917
Common Name:	Glyciapyrrole A
IUPAC Name:	(2Z,4E,6S)-6-hydroxy-6-[(2R,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-3-methyl-1-(1H-pyrrol-2-yl)hexa-2,4-dien-1-one
Synonyms:
Molecular Formula:	C19H27NO4
Standard InCHIKey:	RAOJTUXTTFNKEN-XJVXVDICSA-N
Standard InCHI:	InChI=1S/C19H27NO4/c1-13(12-15(21)14-6-5-11-20-14)7-8-16(22)19(4)10-9-17(24-19)18(2,3)23/h5-8,11-12,16-17,20,22-23H,9-10H2,1-4H3/b8-7+,13-12-/t16-,17+,19+/m0/s1
Canonical SMILES:	C/C(=C/C(=O)c1ccc[nH]1)/C=C/[C@@H]([C@@]1(C)CC[C@@H](O1)C(O)(C)C)O
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
NPO31957	Streptomyces nps008187	Species	Streptomycetaceae	Bacteria				StreptomeDB*

Biological Activity

Activity Type	# Activity
IC50	2

Activity Type	# Activity
Cell Line	2

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT139	Cell Line	HT-29	Homo sapiens	IC50	=	180000	nM	15921430
NPT169	Cell Line	B16-F10	Mus musculus	IC50	=	180000	nM	15921430

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 NPC209917 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	168
0.1-0.2	1020
0.2-0.3	5009
0.3-0.4	14524
0.4-0.5	7247
0.5-0.6	1480
0.6-0.7	1229
0.7-0.8	210
0.8-0.85	2
0.85-0.9	0
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Natural Product ID
0.8	Intermediate Similarity	NPC477041
0.8	Intermediate Similarity	NPC477044
0.7938	Intermediate Similarity	NPC477043
0.7865	Intermediate Similarity	NPC477045
0.7861	Intermediate Similarity	NPC472285
0.7727	Intermediate Similarity	NPC127677
0.7677	Intermediate Similarity	NPC46225
0.7654	Intermediate Similarity	NPC40779
0.7617	Intermediate Similarity	NPC292361
0.7605	Intermediate Similarity	NPC291517
0.7604	Intermediate Similarity	NPC267343
0.7556	Intermediate Similarity	NPC311276
0.755	Intermediate Similarity	NPC258062
0.7539	Intermediate Similarity	NPC154339
0.7537	Intermediate Similarity	NPC229348
0.7525	Intermediate Similarity	NPC98715
0.7514	Intermediate Similarity	NPC33229
0.7512	Intermediate Similarity	NPC70155
0.75	Intermediate Similarity	NPC474767
0.75	Intermediate Similarity	NPC469358
0.75	Intermediate Similarity	NPC225821
0.7488	Intermediate Similarity	NPC151976
0.7487	Intermediate Similarity	NPC477042
0.7487	Intermediate Similarity	NPC74153
0.7474	Intermediate Similarity	NPC315555
0.7474	Intermediate Similarity	NPC235684
0.7465	Intermediate Similarity	NPC37473
0.7463	Intermediate Similarity	NPC204491
0.7447	Intermediate Similarity	NPC71037
0.7429	Intermediate Similarity	NPC141428
0.7424	Intermediate Similarity	NPC300183
0.7421	Intermediate Similarity	NPC295158
0.7398	Intermediate Similarity	NPC227582
0.7396	Intermediate Similarity	NPC23215
0.7377	Intermediate Similarity	NPC41717
0.7368	Intermediate Similarity	NPC207851
0.736	Intermediate Similarity	NPC149708
0.7358	Intermediate Similarity	NPC57690
0.7358	Intermediate Similarity	NPC83111
0.7353	Intermediate Similarity	NPC82370
0.7351	Intermediate Similarity	NPC470498
0.7344	Intermediate Similarity	NPC278434
0.734	Intermediate Similarity	NPC271862
0.7333	Intermediate Similarity	NPC473821
0.7333	Intermediate Similarity	NPC469762
0.733	Intermediate Similarity	NPC313640
0.7323	Intermediate Similarity	NPC74413
0.7317	Intermediate Similarity	NPC87856
0.731	Intermediate Similarity	NPC473814
0.731	Intermediate Similarity	NPC78767
0.7306	Intermediate Similarity	NPC75544
0.73	Intermediate Similarity	NPC476874
0.7296	Intermediate Similarity	NPC202812
0.7295	Intermediate Similarity	NPC132211
0.7295	Intermediate Similarity	NPC203614
0.7291	Intermediate Similarity	NPC143075
0.7287	Intermediate Similarity	NPC284775
0.7286	Intermediate Similarity	NPC252338
0.7282	Intermediate Similarity	NPC267965
0.7278	Intermediate Similarity	NPC469785
0.7273	Intermediate Similarity	NPC470499
0.7268	Intermediate Similarity	NPC102423
0.7268	Intermediate Similarity	NPC475874
0.7255	Intermediate Similarity	NPC472752
0.7249	Intermediate Similarity	NPC283219
0.7249	Intermediate Similarity	NPC55772
0.7249	Intermediate Similarity	NPC141377
0.7249	Intermediate Similarity	NPC248041
0.7249	Intermediate Similarity	NPC126709
0.7247	Intermediate Similarity	NPC471655
0.7243	Intermediate Similarity	NPC78020
0.7241	Intermediate Similarity	NPC58268
0.7241	Intermediate Similarity	NPC114033
0.7241	Intermediate Similarity	NPC129412
0.7241	Intermediate Similarity	NPC101130
0.724	Intermediate Similarity	NPC163421
0.724	Intermediate Similarity	NPC188387
0.724	Intermediate Similarity	NPC280290
0.7234	Intermediate Similarity	NPC267885
0.7233	Intermediate Similarity	NPC110182
0.7231	Intermediate Similarity	NPC138370
0.7228	Intermediate Similarity	NPC233380
0.7222	Intermediate Similarity	NPC209362
0.7219	Intermediate Similarity	NPC313791
0.7216	Intermediate Similarity	NPC473628
0.7214	Intermediate Similarity	NPC260900
0.7212	Intermediate Similarity	NPC36405
0.7209	Intermediate Similarity	NPC472288
0.7208	Intermediate Similarity	NPC93390
0.7204	Intermediate Similarity	NPC2395
0.7198	Intermediate Similarity	NPC474492
0.7196	Intermediate Similarity	NPC151939
0.7192	Intermediate Similarity	NPC175602
0.7188	Intermediate Similarity	NPC477003
0.7186	Intermediate Similarity	NPC131887
0.7183	Intermediate Similarity	NPC235885
0.7181	Intermediate Similarity	NPC110500
0.7181	Intermediate Similarity	NPC149155
0.7181	Intermediate Similarity	NPC203468
0.7172	Intermediate Similarity	NPC77061
0.7172	Intermediate Similarity	NPC11445
0.7171	Intermediate Similarity	NPC61038
0.7171	Intermediate Similarity	NPC478158
0.7167	Intermediate Similarity	NPC259644
0.7167	Intermediate Similarity	NPC469763
0.7167	Intermediate Similarity	NPC25008
0.7167	Intermediate Similarity	NPC469786
0.7167	Intermediate Similarity	NPC469760
0.7167	Intermediate Similarity	NPC469765
0.7167	Intermediate Similarity	NPC73952
0.7164	Intermediate Similarity	NPC475506
0.7163	Intermediate Similarity	NPC153452
0.7158	Intermediate Similarity	NPC470680
0.7158	Intermediate Similarity	NPC213468
0.7158	Intermediate Similarity	NPC100104
0.7157	Intermediate Similarity	NPC88008
0.7151	Intermediate Similarity	NPC201700
0.715	Intermediate Similarity	NPC62510
0.715	Intermediate Similarity	NPC267926
0.715	Intermediate Similarity	NPC207020
0.715	Intermediate Similarity	NPC219087
0.7143	Intermediate Similarity	NPC89987
0.7143	Intermediate Similarity	NPC476460
0.7136	Intermediate Similarity	NPC229893
0.7136	Intermediate Similarity	NPC266192
0.7129	Intermediate Similarity	NPC193761
0.7129	Intermediate Similarity	NPC155143
0.7128	Intermediate Similarity	NPC213629
0.7128	Intermediate Similarity	NPC321708
0.7127	Intermediate Similarity	NPC80597
0.7127	Intermediate Similarity	NPC75540
0.7127	Intermediate Similarity	NPC477815
0.7127	Intermediate Similarity	NPC212376
0.7127	Intermediate Similarity	NPC70922
0.7127	Intermediate Similarity	NPC211572
0.7122	Intermediate Similarity	NPC63041
0.7121	Intermediate Similarity	NPC157828
0.7121	Intermediate Similarity	NPC195239
0.7109	Intermediate Similarity	NPC269270
0.7105	Intermediate Similarity	NPC84827
0.7105	Intermediate Similarity	NPC111275
0.7105	Intermediate Similarity	NPC14113
0.7105	Intermediate Similarity	NPC145885
0.7104	Intermediate Similarity	NPC230869
0.71	Intermediate Similarity	NPC171317
0.7098	Intermediate Similarity	NPC46895
0.7097	Intermediate Similarity	NPC160105
0.7095	Intermediate Similarity	NPC312645
0.7095	Intermediate Similarity	NPC13432
0.7085	Intermediate Similarity	NPC472293
0.7081	Intermediate Similarity	NPC478157
0.7075	Intermediate Similarity	NPC276657
0.7075	Intermediate Similarity	NPC14686
0.7074	Intermediate Similarity	NPC302647
0.7074	Intermediate Similarity	NPC262338
0.7068	Intermediate Similarity	NPC270009
0.7067	Intermediate Similarity	NPC118940
0.7065	Intermediate Similarity	NPC100321
0.7065	Intermediate Similarity	NPC472296
0.7065	Intermediate Similarity	NPC131718
0.7065	Intermediate Similarity	NPC472297
0.7065	Intermediate Similarity	NPC103361
0.7056	Intermediate Similarity	NPC24678
0.7056	Intermediate Similarity	NPC105818
0.7052	Intermediate Similarity	NPC98156
0.7052	Intermediate Similarity	NPC138596
0.7052	Intermediate Similarity	NPC64661
0.7052	Intermediate Similarity	NPC14448
0.7052	Intermediate Similarity	NPC200397
0.7052	Intermediate Similarity	NPC292434
0.7052	Intermediate Similarity	NPC195704
0.7052	Intermediate Similarity	NPC167200
0.7049	Intermediate Similarity	NPC213914
0.7044	Intermediate Similarity	NPC328318
0.7044	Intermediate Similarity	NPC328596
0.7043	Intermediate Similarity	NPC42372
0.7041	Intermediate Similarity	NPC46413
0.7039	Intermediate Similarity	NPC171787
0.7033	Intermediate Similarity	NPC207866
0.7033	Intermediate Similarity	NPC54744
0.7031	Intermediate Similarity	NPC317010
0.7031	Intermediate Similarity	NPC300688
0.703	Intermediate Similarity	NPC470497
0.7028	Intermediate Similarity	NPC74360
0.7026	Intermediate Similarity	NPC94752
0.7024	Intermediate Similarity	NPC472287
0.7024	Intermediate Similarity	NPC472286
0.7023	Intermediate Similarity	NPC212766
0.7023	Intermediate Similarity	NPC473850
0.7023	Intermediate Similarity	NPC289423
0.7023	Intermediate Similarity	NPC475137
0.7023	Intermediate Similarity	NPC475498
0.702	Intermediate Similarity	NPC472292
0.702	Intermediate Similarity	NPC47190
0.7019	Intermediate Similarity	NPC320968
0.7015	Intermediate Similarity	NPC473640
0.7015	Intermediate Similarity	NPC472284
0.7015	Intermediate Similarity	NPC67288
0.7014	Intermediate Similarity	NPC15801
0.701	Intermediate Similarity	NPC476115

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC209917 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	146
0.1-0.2	463
0.2-0.3	778
0.3-0.4	1872
0.4-0.5	3228
0.5-0.6	2019
0.6-0.7	619
0.7-0.8	35
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
0.8222	Intermediate Similarity	NPD3178	Discontinued
0.7459	Intermediate Similarity	NPD4736	Clinical (unspecified phase)
0.7447	Intermediate Similarity	NPD1783	Clinical (unspecified phase)
0.7376	Intermediate Similarity	NPD2509	Approved
0.7376	Intermediate Similarity	NPD2510	Approved
0.7368	Intermediate Similarity	NPD1096	Discontinued
0.7322	Intermediate Similarity	NPD1568	Clinical (unspecified phase)
0.7316	Intermediate Similarity	NPD2095	Phase 2
0.7316	Intermediate Similarity	NPD2094	Phase 2
0.7316	Intermediate Similarity	NPD2092	Phase 2
0.7277	Intermediate Similarity	NPD6732	Clinical (unspecified phase)
0.7277	Intermediate Similarity	NPD2096	Phase 2
0.7277	Intermediate Similarity	NPD2091	Phase 2
0.7234	Intermediate Similarity	NPD749	Clinical (unspecified phase)
0.7228	Intermediate Similarity	NPD5901	Discontinued
0.7212	Intermediate Similarity	NPD3389	Approved
0.7212	Intermediate Similarity	NPD3393	Approved
0.7212	Intermediate Similarity	NPD3394	Approved
0.7181	Intermediate Similarity	NPD482	Approved
0.7174	Intermediate Similarity	NPD5088	Discontinued
0.7135	Intermediate Similarity	NPD5728	Clinical (unspecified phase)
0.7112	Intermediate Similarity	NPD1573	Approved
0.7112	Intermediate Similarity	NPD1575	Approved
0.7101	Intermediate Similarity	NPD7470	Discontinued
0.7094	Intermediate Similarity	NPD2121	Clinical (unspecified phase)
0.7088	Intermediate Similarity	NPD276	Clinical (unspecified phase)
0.7081	Intermediate Similarity	NPD1631	Approved
0.7072	Intermediate Similarity	NPD180	Clinical (unspecified phase)
0.7059	Intermediate Similarity	NPD3947	Discontinued
0.7039	Intermediate Similarity	NPD7947	Clinical (unspecified phase)
0.7033	Intermediate Similarity	NPD3795	Approved
0.7033	Intermediate Similarity	NPD3794	Approved
0.7031	Intermediate Similarity	NPD6595	Phase 3
0.7024	Intermediate Similarity	NPD4862	Clinical (unspecified phase)
0.7021	Intermediate Similarity	NPD4184	Clinical (unspecified phase)
0.701	Intermediate Similarity	NPD3607	Clinical (unspecified phase)
0.6979	Remote Similarity	NPD8304	Clinical (unspecified phase)
0.6971	Remote Similarity	NPD7998	Clinical (unspecified phase)
0.6947	Remote Similarity	NPD750	Phase 2
0.6942	Remote Similarity	NPD7001	Phase 3
0.6927	Remote Similarity	NPD2144	Approved
0.6919	Remote Similarity	NPD1630	Approved
0.6911	Remote Similarity	NPD5065	Approved
0.689	Remote Similarity	NPD7809	Clinical (unspecified phase)
0.6878	Remote Similarity	NPD5069	Clinical (unspecified phase)
0.6863	Remote Similarity	NPD484	Approved
0.6856	Remote Similarity	NPD1643	Phase 3
0.6827	Remote Similarity	NPD6838	Clinical (unspecified phase)
0.6825	Remote Similarity	NPD4174	Clinical (unspecified phase)
0.6821	Remote Similarity	NPD3038	Discontinued
0.6816	Remote Similarity	NPD460	Discontinued
0.6814	Remote Similarity	NPD7621	Clinical (unspecified phase)
0.6804	Remote Similarity	NPD1587	Approved
0.68	Remote Similarity	NPD5592	Clinical (unspecified phase)
0.6789	Remote Similarity	NPD2844	Phase 3
0.6786	Remote Similarity	NPD5596	Phase 2
0.6779	Remote Similarity	NPD7958	Clinical (unspecified phase)
0.6779	Remote Similarity	NPD7957	Phase 1
0.6763	Remote Similarity	NPD6176	Phase 1
0.6759	Remote Similarity	NPD6242	Discontinued
0.6759	Remote Similarity	NPD3280	Approved
0.6758	Remote Similarity	NPD8289	Discontinued
0.6746	Remote Similarity	NPD8493	Clinical (unspecified phase)
0.6731	Remote Similarity	NPD8272	Phase 2
0.6731	Remote Similarity	NPD5426	Phase 3
0.6731	Remote Similarity	NPD8169	Discontinued
0.6718	Remote Similarity	NPD4079	Approved
0.6718	Remote Similarity	NPD4076	Approved
0.6716	Remote Similarity	NPD6180	Clinical (unspecified phase)
0.6715	Remote Similarity	NPD5721	Clinical (unspecified phase)
0.6715	Remote Similarity	NPD8073	Approved
0.6714	Remote Similarity	NPD8423	Phase 2
0.6714	Remote Similarity	NPD8399	Phase 1
0.6698	Remote Similarity	NPD5066	Phase 2
0.6698	Remote Similarity	NPD8013	Clinical (unspecified phase)
0.6698	Remote Similarity	NPD5067	Phase 2
0.6698	Remote Similarity	NPD3326	Clinical (unspecified phase)
0.6684	Remote Similarity	NPD5899	Approved
0.6684	Remote Similarity	NPD5897	Approved
0.6684	Remote Similarity	NPD820	Phase 3
0.6684	Remote Similarity	NPD5898	Approved
0.6684	Remote Similarity	NPD1291	Clinical (unspecified phase)
0.6683	Remote Similarity	NPD8072	Approved
0.6683	Remote Similarity	NPD4426	Clinical (unspecified phase)
0.6667	Remote Similarity	NPD7727	Phase 2
0.6667	Remote Similarity	NPD3506	Approved
0.6667	Remote Similarity	NPD5866	Approved
0.6667	Remote Similarity	NPD1592	Phase 3
0.6667	Remote Similarity	NPD1392	Approved
0.6667	Remote Similarity	NPD3505	Approved
0.6652	Remote Similarity	NPD4086	Phase 1
0.6651	Remote Similarity	NPD5612	Discontinued
0.665	Remote Similarity	NPD6137	Clinical (unspecified phase)
0.665	Remote Similarity	NPD1038	Approved
0.665	Remote Similarity	NPD6999	Discontinued
0.665	Remote Similarity	NPD7000	Clinical (unspecified phase)
0.665	Remote Similarity	NPD6248	Phase 2
0.665	Remote Similarity	NPD6249	Phase 2
0.6649	Remote Similarity	NPD1586	Approved
0.6648	Remote Similarity	NPD569	Clinical (unspecified phase)
0.6634	Remote Similarity	NPD7948	Phase 1
0.6633	Remote Similarity	NPD6610	Clinical (unspecified phase)
0.663	Remote Similarity	NPD3717	Discontinued
0.662	Remote Similarity	NPD7927	Clinical (unspecified phase)
0.662	Remote Similarity	NPD8327	Clinical (unspecified phase)
0.662	Remote Similarity	NPD8326	Phase 3
0.662	Remote Similarity	NPD8325	Phase 3
0.6618	Remote Similarity	NPD4427	Phase 2
0.6618	Remote Similarity	NPD8248	Clinical (unspecified phase)
0.6618	Remote Similarity	NPD5975	Clinical (unspecified phase)
0.6618	Remote Similarity	NPD7944	Discontinued
0.6617	Remote Similarity	NPD7234	Approved
0.6617	Remote Similarity	NPD7233	Approved
0.6614	Remote Similarity	NPD2511	Approved
0.6606	Remote Similarity	NPD1996	Discontinued
0.6605	Remote Similarity	NPD8112	Clinical (unspecified phase)
0.6604	Remote Similarity	NPD4506	Discontinued
0.6604	Remote Similarity	NPD1600	Suspended
0.6603	Remote Similarity	NPD5487	Phase 1
0.6602	Remote Similarity	NPD7946	Pre-registration
0.6601	Remote Similarity	NPD6665	Discontinued
0.66	Remote Similarity	NPD3315	Phase 3
0.6596	Remote Similarity	NPD2581	Approved
0.6596	Remote Similarity	NPD2582	Approved
0.6592	Remote Similarity	NPD5022	Discontinued
0.6592	Remote Similarity	NPD2896	Discontinued
0.6591	Remote Similarity	NPD6173	Approved
0.6591	Remote Similarity	NPD1627	Clinical (unspecified phase)
0.659	Remote Similarity	NPD8405	Clinical (unspecified phase)
0.6589	Remote Similarity	NPD3916	Clinical (unspecified phase)
0.6589	Remote Similarity	NPD3918	Approved
0.6589	Remote Similarity	NPD3917	Approved
0.6587	Remote Similarity	NPD5017	Discontinued
0.6584	Remote Similarity	NPD3321	Discontinued
0.6579	Remote Similarity	NPD2921	Clinical (unspecified phase)
0.6576	Remote Similarity	NPD4702	Approved
0.6576	Remote Similarity	NPD4703	Approved
0.6574	Remote Similarity	NPD8160	Phase 2
0.6573	Remote Similarity	NPD7825	Clinical (unspecified phase)
0.6571	Remote Similarity	NPD7396	Approved
0.6571	Remote Similarity	NPD3247	Clinical (unspecified phase)
0.6571	Remote Similarity	NPD8098	Approved
0.6569	Remote Similarity	NPD5575	Clinical (unspecified phase)
0.6567	Remote Similarity	NPD8431	Approved
0.6562	Remote Similarity	NPD8372	Clinical (unspecified phase)
0.6561	Remote Similarity	NPD5255	Approved
0.6557	Remote Similarity	NPD6376	Discontinued
0.6556	Remote Similarity	NPD786	Approved
0.6555	Remote Similarity	NPD7187	Phase 2
0.6555	Remote Similarity	NPD6531	Approved
0.6555	Remote Similarity	NPD6530	Approved
0.6552	Remote Similarity	NPD4699	Discontinued
0.6552	Remote Similarity	NPD5352	Clinical (unspecified phase)
0.6548	Remote Similarity	NPD8037	Clinical (unspecified phase)
0.6548	Remote Similarity	NPD8036	Clinical (unspecified phase)
0.6545	Remote Similarity	NPD5140	Approved
0.6545	Remote Similarity	NPD5138	Approved
0.6545	Remote Similarity	NPD6995	Phase 1
0.6542	Remote Similarity	NPD7070	Clinical (unspecified phase)
0.6542	Remote Similarity	NPD5475	Discontinued
0.6542	Remote Similarity	NPD3915	Approved
0.654	Remote Similarity	NPD2008	Discontinued
0.654	Remote Similarity	NPD7289	Clinical (unspecified phase)
0.654	Remote Similarity	NPD7010	Phase 3
0.6535	Remote Similarity	NPD8110	Clinical (unspecified phase)
0.652	Remote Similarity	NPD3006	Discontinued
0.6514	Remote Similarity	NPD7878	Phase 2
0.6514	Remote Similarity	NPD6578	Clinical (unspecified phase)
0.6512	Remote Similarity	NPD8093	Discontinued
0.6512	Remote Similarity	NPD8097	Phase 3
0.6512	Remote Similarity	NPD8096	Phase 3
0.6512	Remote Similarity	NPD6657	Clinical (unspecified phase)
0.6512	Remote Similarity	NPD7594	Clinical (unspecified phase)
0.6507	Remote Similarity	NPD7817	Phase 1
0.6507	Remote Similarity	NPD7903	Clinical (unspecified phase)
0.6505	Remote Similarity	NPD4463	Approved
0.6505	Remote Similarity	NPD2172	Phase 1
0.6505	Remote Similarity	NPD4462	Approved
0.6503	Remote Similarity	NPD751	Clinical (unspecified phase)
0.6497	Remote Similarity	NPD6203	Clinical (unspecified phase)
0.6496	Remote Similarity	NPD5482	Discontinued
0.6495	Remote Similarity	NPD1325	Approved
0.6495	Remote Similarity	NPD1326	Approved
0.6493	Remote Similarity	NPD6288	Clinical (unspecified phase)
0.6493	Remote Similarity	NPD8115	Approved
0.6493	Remote Similarity	NPD8114	Approved
0.6493	Remote Similarity	NPD6987	Phase 1
0.649	Remote Similarity	NPD3800	Clinical (unspecified phase)
0.6489	Remote Similarity	NPD2809	Approved
0.6489	Remote Similarity	NPD2061	Approved
0.6486	Remote Similarity	NPD7269	Clinical (unspecified phase)
0.6485	Remote Similarity	NPD4948	Discontinued
0.6484	Remote Similarity	NPD6770	Approved
0.6484	Remote Similarity	NPD5020	Approved
0.6481	Remote Similarity	NPD8094	Discontinued
0.6481	Remote Similarity	NPD5888	Phase 2
0.648	Remote Similarity	NPD2928	Phase 2
0.648	Remote Similarity	NPD4883	Approved
0.648	Remote Similarity	NPD198	Clinical (unspecified phase)
0.6474	Remote Similarity	NPD2213	Approved

Structure

CID209917 OpenBabel06191716002D 24 25 0 0 1 0 0 0 0 0999 V2000 3.1150 -4.3290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0508 2.4727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3559 1.5591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5914 -0.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4533 -0.2483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9993 -1.1393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8903 -3.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6315 -2.1383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6092 0.1691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4013 -0.8090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7462 0.4588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5633 -2.6559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8562 -3.3630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0116 -0.9829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3045 -1.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6656 -1.8795 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7431 0.6691 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6386 1.6637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4067 -0.9135 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8552 0.0048 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3386 -1.4312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0416 -2.5866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4476 2.2514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 2 18 1 0 0 0 0 3 18 1 0 0 0 0 5 6 1 0 0 0 0 5 11 2 0 0 0 0 6 14 2 0 0 0 0 7 8 2 0 0 0 0 7 13 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 20 1 0 0 0 0 12 13 2 0 0 0 0 12 15 1 0 0 0 0 14 15 1 0 0 0 0 14 20 1 0 0 0 0 15 21 2 0 0 0 0 16 19 1 0 0 0 0 16 22 1 6 0 0 0 17 18 1 1 0 0 0 17 24 1 0 0 0 0 18 23 1 0 0 0 0 19 4 1 1 0 0 0 19 24 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	44583995
ChEMBL	CHEMBL457150
ZINC

Physicochemical Properties

Molecular Weight:	333.19
ALogP:	0.1319
MLogP:	3
XLogP:	2.019
# Rotatable Bonds:	12
Polar Surface Area:	82.55
# H-Bond Aceptor:	5
# H-Bond Donor:	3
# Rings:	2
# Heavy Atoms:	24

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