NPASS Natural Product

Natural Product: NPC262725

Natural Product ID:	NPC262725
Common Name:	Rel-Zanthodioline
IUPAC Name:	(3S,4R)-3,4-dihydroxy-7-methoxy-2,2,6-trimethyl-3,4-dihydropyrano[3,2-c]quinolin-5-one
Synonyms:
Molecular Formula:	C16H19NO5
Standard InCHIKey:	GQGXEILPTLCMFO-OCCSQVGLSA-N
Standard InCHI:	InChI=1S/C16H19NO5/c1-16(2)14(19)12(18)10-13(22-16)8-6-5-7-9(21-4)11(8)17(3)15(10)20/h5-7,12,14,18-19H,1-4H3/t12-,14+/m1/s1
Canonical SMILES:	COc1cccc2c1n(C)c(=O)c1c2OC(C)(C)[C@H]([C@@H]1O)O
First Find Year:
Max Developmental Stage:
Synthetic Gene Cluster:	;

Species Source

Organism ID	Organism Name	Taxonomy Level	Family	SuperKingdom	Reference
NPO3963	Hortonia floribunda	Species	Monimiaceae	Eukaryota	UNPD*
NPO25406	Celastrus monospermus	Species	Celastraceae	Eukaryota	UNPD*
NPO28636	Vernonia lilacina	Species	Asteraceae	Eukaryota	UNPD*
NPO26298	Zanthoxylum simulans	Species	Rutaceae	Eukaryota	TCMID*
NPO26409	Plakortis simplex	Species	Plakinidae	Eukaryota	UNPD*
NPO1267	Acronychia laurifolia	Species	Rutaceae	Eukaryota	UNPD*
NPO25122	Conium maculatum	Species	Apiaceae	Eukaryota	UNPD*
NPO24918	Jacobaea cannabifolia	Species	Asteraceae	Eukaryota	UNPD*
NPO13313	Talipariti tiliaceum	Species	Malvaceae	Eukaryota	UNPD*
NPO22264	Inula salsoloides	Species	Asteraceae	Eukaryota	UNPD*
NPO24478	Morinda coreia	Species	Rubiaceae	Eukaryota	UNPD*
NPO3005	Passiflora morifolia	Species	Passifloraceae	Eukaryota	UNPD*
NPO25802	Agave deserti	Species	Asparagaceae	Eukaryota	UNPD*
NPO25201	Aglaia pyramidata	Species	Meliaceae	Eukaryota	UNPD*
NPO19672	Hosta sieboldiana	Species	Asparagaceae	Eukaryota	UNPD*
NPO25259	Schrebera swietenoides	Species	Oleaceae	Eukaryota	UNPD*
NPO26789	Tephrosia bidwilli	Species	Geometridae	Eukaryota	UNPD*
NPO26849	Parmelia zollingeri	Species	Parmeliaceae	Eukaryota	UNPD*
NPO26298	Zanthoxylum simulans	Species	Rutaceae	Eukaryota	UNPD*
NPO25358	Senecio gilliesi	Species	Asteraceae	Eukaryota	UNPD*
NPO25833	Asclepias subulata	Species	Apocynaceae	Eukaryota	UNPD*
NPO26690	Lactarius subpiperatus	Species	Lactariidae	Eukaryota	UNPD*
NPO26992	Sophora leachiana	Species	Fabaceae	Eukaryota	UNPD*
NPO26160	Thielavia terricola	Species	Chaetomiaceae	Eukaryota	UNPD*
NPO26203	Dysidea villosa	Species	Dysideidae	Eukaryota	UNPD*
NPO9324	Notechis scutatus	Species	Elapidae	Eukaryota	UNPD*
NPO24547	Xanthoria parietina	Species	Teloschistaceae	Eukaryota	UNPD*
NPO25714	Solanum spirale	Species	Solanaceae	Eukaryota	UNPD*
NPO22890	Eutrochium purpureum	Species	Asteraceae	Eukaryota	UNPD*

Biological Activity

Activity Type	# Activity
Others	1

Activity Type	# Activity
Individual Protein	1

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT204	Individual Protein	Acetylcholinesterase	Homo sapiens	Inhibition	=	34.4	%	10.1007/s00044-011-9581-9

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 NPC262725 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	207
0.1-0.2	1076
0.2-0.3	3773
0.3-0.4	8524
0.4-0.5	3896
0.5-0.6	12253
0.6-0.7	1086
0.7-0.8	73
0.8-0.85	1
0.85-0.9	0
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Natural Product ID
0.8402	Intermediate Similarity	NPC301163
0.7717	Intermediate Similarity	NPC116096
0.7633	Intermediate Similarity	NPC308197
0.7616	Intermediate Similarity	NPC242000
0.7514	Intermediate Similarity	NPC287152
0.7512	Intermediate Similarity	NPC222046
0.7438	Intermediate Similarity	NPC30749
0.7405	Intermediate Similarity	NPC129624
0.7356	Intermediate Similarity	NPC76478
0.7353	Intermediate Similarity	NPC114468
0.7346	Intermediate Similarity	NPC471513
0.734	Intermediate Similarity	NPC270301
0.7333	Intermediate Similarity	NPC320064
0.732	Intermediate Similarity	NPC471825
0.7317	Intermediate Similarity	NPC2905
0.7317	Intermediate Similarity	NPC148391
0.7313	Intermediate Similarity	NPC212123
0.7304	Intermediate Similarity	NPC470481
0.7304	Intermediate Similarity	NPC305542
0.7304	Intermediate Similarity	NPC470482
0.7295	Intermediate Similarity	NPC134702
0.7287	Intermediate Similarity	NPC166169
0.7277	Intermediate Similarity	NPC477397
0.7273	Intermediate Similarity	NPC7560
0.7273	Intermediate Similarity	NPC118189
0.7264	Intermediate Similarity	NPC195787
0.7264	Intermediate Similarity	NPC13249
0.7264	Intermediate Similarity	NPC246140
0.7259	Intermediate Similarity	NPC112937
0.7238	Intermediate Similarity	NPC148124
0.7238	Intermediate Similarity	NPC93653
0.722	Intermediate Similarity	NPC127996
0.7212	Intermediate Similarity	NPC182853
0.7211	Intermediate Similarity	NPC314659
0.7204	Intermediate Similarity	NPC73280
0.719	Intermediate Similarity	NPC99724
0.7186	Intermediate Similarity	NPC231382
0.7184	Intermediate Similarity	NPC217903
0.7183	Intermediate Similarity	NPC470480
0.7177	Intermediate Similarity	NPC475609
0.7174	Intermediate Similarity	NPC127362
0.7173	Intermediate Similarity	NPC302235
0.7158	Intermediate Similarity	NPC197335
0.7157	Intermediate Similarity	NPC477160
0.7136	Intermediate Similarity	NPC116178
0.7136	Intermediate Similarity	NPC285254
0.7129	Intermediate Similarity	NPC268077
0.7108	Intermediate Similarity	NPC329567
0.7108	Intermediate Similarity	NPC330683
0.7103	Intermediate Similarity	NPC473458
0.7103	Intermediate Similarity	NPC248903
0.7101	Intermediate Similarity	NPC268223
0.7095	Intermediate Similarity	NPC288110
0.7079	Intermediate Similarity	NPC207971
0.7078	Intermediate Similarity	NPC314702
0.7056	Intermediate Similarity	NPC26928
0.7044	Intermediate Similarity	NPC14339
0.7044	Intermediate Similarity	NPC163829
0.7039	Intermediate Similarity	NPC25961
0.7035	Intermediate Similarity	NPC161804
0.7027	Intermediate Similarity	NPC299582
0.7027	Intermediate Similarity	NPC477395
0.7024	Intermediate Similarity	NPC100573
0.7024	Intermediate Similarity	NPC207873
0.7021	Intermediate Similarity	NPC307640
0.7019	Intermediate Similarity	NPC321166
0.701	Intermediate Similarity	NPC87391
0.701	Intermediate Similarity	NPC158551
0.7005	Intermediate Similarity	NPC295479
0.7005	Intermediate Similarity	NPC220241
0.7005	Intermediate Similarity	NPC218303
0.7005	Intermediate Similarity	NPC473004
0.7	Intermediate Similarity	NPC17677
0.7	Intermediate Similarity	NPC71124
0.6995	Remote Similarity	NPC251071
0.6986	Remote Similarity	NPC176113
0.6979	Remote Similarity	NPC472163
0.697	Remote Similarity	NPC470485
0.697	Remote Similarity	NPC254957
0.6961	Remote Similarity	NPC470484
0.6957	Remote Similarity	NPC474366
0.6952	Remote Similarity	NPC234772
0.695	Remote Similarity	NPC472191
0.6946	Remote Similarity	NPC1464
0.6946	Remote Similarity	NPC250476
0.6931	Remote Similarity	NPC127178
0.693	Remote Similarity	NPC477394
0.693	Remote Similarity	NPC122886
0.6927	Remote Similarity	NPC5167
0.6905	Remote Similarity	NPC316297
0.6905	Remote Similarity	NPC66191
0.6905	Remote Similarity	NPC314817
0.6904	Remote Similarity	NPC474059
0.69	Remote Similarity	NPC170333
0.6897	Remote Similarity	NPC214368
0.6893	Remote Similarity	NPC198160
0.6893	Remote Similarity	NPC478075
0.6889	Remote Similarity	NPC477393
0.6887	Remote Similarity	NPC87560
0.6887	Remote Similarity	NPC195120
0.6884	Remote Similarity	NPC94499
0.6882	Remote Similarity	NPC135006
0.6881	Remote Similarity	NPC5374
0.6878	Remote Similarity	NPC471604
0.6878	Remote Similarity	NPC291173
0.6869	Remote Similarity	NPC470483
0.6869	Remote Similarity	NPC1820
0.6869	Remote Similarity	NPC329830
0.6859	Remote Similarity	NPC8467
0.6847	Remote Similarity	NPC138830
0.6847	Remote Similarity	NPC476661
0.6845	Remote Similarity	NPC477161
0.684	Remote Similarity	NPC126556
0.6839	Remote Similarity	NPC85613
0.6837	Remote Similarity	NPC116007
0.6829	Remote Similarity	NPC41216
0.6828	Remote Similarity	NPC477396
0.6828	Remote Similarity	NPC257763
0.6822	Remote Similarity	NPC118154
0.6822	Remote Similarity	NPC157983
0.6822	Remote Similarity	NPC128115
0.6814	Remote Similarity	NPC476662
0.6814	Remote Similarity	NPC471489
0.681	Remote Similarity	NPC10732
0.6808	Remote Similarity	NPC77777
0.6798	Remote Similarity	NPC267414
0.6796	Remote Similarity	NPC473422
0.6796	Remote Similarity	NPC87714
0.6793	Remote Similarity	NPC10730
0.6793	Remote Similarity	NPC10875
0.6791	Remote Similarity	NPC313757
0.6791	Remote Similarity	NPC46259
0.6788	Remote Similarity	NPC474815
0.6786	Remote Similarity	NPC473007
0.678	Remote Similarity	NPC311357
0.678	Remote Similarity	NPC474077
0.678	Remote Similarity	NPC286135
0.678	Remote Similarity	NPC15987
0.6779	Remote Similarity	NPC90185
0.6777	Remote Similarity	NPC316181
0.6777	Remote Similarity	NPC74562
0.6777	Remote Similarity	NPC151781
0.6776	Remote Similarity	NPC37957
0.6776	Remote Similarity	NPC153923
0.6772	Remote Similarity	NPC33507
0.6766	Remote Similarity	NPC230313
0.6755	Remote Similarity	NPC469479
0.6753	Remote Similarity	NPC98416
0.675	Remote Similarity	NPC114039
0.675	Remote Similarity	NPC206109
0.6748	Remote Similarity	NPC473460
0.6736	Remote Similarity	NPC127082
0.6734	Remote Similarity	NPC45389
0.6734	Remote Similarity	NPC473008
0.6731	Remote Similarity	NPC308943
0.673	Remote Similarity	NPC119722
0.6716	Remote Similarity	NPC78284
0.6711	Remote Similarity	NPC58209
0.6704	Remote Similarity	NPC260601
0.6703	Remote Similarity	NPC144691
0.6702	Remote Similarity	NPC292143
0.6702	Remote Similarity	NPC139506
0.6701	Remote Similarity	NPC315542
0.6701	Remote Similarity	NPC206061
0.6697	Remote Similarity	NPC19175
0.6685	Remote Similarity	NPC119669
0.6684	Remote Similarity	NPC477159
0.6683	Remote Similarity	NPC243626
0.6683	Remote Similarity	NPC198401
0.6667	Remote Similarity	NPC218733
0.6667	Remote Similarity	NPC301501
0.6667	Remote Similarity	NPC291759
0.6667	Remote Similarity	NPC265642
0.6667	Remote Similarity	NPC266994
0.6667	Remote Similarity	NPC10653
0.6667	Remote Similarity	NPC318525
0.6667	Remote Similarity	NPC132874
0.6667	Remote Similarity	NPC222524
0.6667	Remote Similarity	NPC83511
0.6667	Remote Similarity	NPC138615
0.6667	Remote Similarity	NPC276120
0.6667	Remote Similarity	NPC100863
0.6667	Remote Similarity	NPC234933
0.6651	Remote Similarity	NPC159815
0.6651	Remote Similarity	NPC257266
0.6651	Remote Similarity	NPC16249
0.665	Remote Similarity	NPC473562
0.6649	Remote Similarity	NPC92191
0.6649	Remote Similarity	NPC57105
0.6649	Remote Similarity	NPC59028
0.6649	Remote Similarity	NPC220560
0.6636	Remote Similarity	NPC478048
0.6635	Remote Similarity	NPC133156
0.6635	Remote Similarity	NPC197125
0.6634	Remote Similarity	NPC203972
0.663	Remote Similarity	NPC146370
0.6621	Remote Similarity	NPC473449
0.6619	Remote Similarity	NPC257728
0.6618	Remote Similarity	NPC316282
0.6618	Remote Similarity	NPC24228

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC262725 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	160
0.1-0.2	559
0.2-0.3	845
0.3-0.4	1726
0.4-0.5	2461
0.5-0.6	2688
0.6-0.7	696
0.7-0.8	26
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
0.7473	Intermediate Similarity	NPD5847	Phase 1
0.7459	Intermediate Similarity	NPD5521	Clinical (unspecified phase)
0.7419	Intermediate Similarity	NPD5900	Clinical (unspecified phase)
0.7366	Intermediate Similarity	NPD3793	Phase 3
0.7343	Intermediate Similarity	NPD2899	Discontinued
0.7318	Intermediate Similarity	NPD1769	Discontinued
0.73	Intermediate Similarity	NPD5102	Clinical (unspecified phase)
0.7287	Intermediate Similarity	NPD6211	Clinical (unspecified phase)
0.725	Intermediate Similarity	NPD7597	Clinical (unspecified phase)
0.7228	Intermediate Similarity	NPD7263	Phase 2
0.7166	Intermediate Similarity	NPD5938	Phase 3
0.7151	Intermediate Similarity	NPD824	Approved
0.715	Intermediate Similarity	NPD4515	Suspended
0.7122	Intermediate Similarity	NPD5860	Discontinued
0.7113	Intermediate Similarity	NPD6608	Clinical (unspecified phase)
0.7108	Intermediate Similarity	NPD2906	Approved
0.7108	Intermediate Similarity	NPD2907	Approved
0.7105	Intermediate Similarity	NPD6654	Clinical (unspecified phase)
0.7059	Intermediate Similarity	NPD2388	Discontinued
0.7056	Intermediate Similarity	NPD7186	Phase 3
0.7044	Intermediate Similarity	NPD4456	Clinical (unspecified phase)
0.7024	Intermediate Similarity	NPD4082	Approved
0.7005	Intermediate Similarity	NPD5186	Approved
0.7005	Intermediate Similarity	NPD1945	Phase 1
0.7005	Intermediate Similarity	NPD5183	Approved
0.7	Intermediate Similarity	NPD5071	Phase 2
0.6995	Remote Similarity	NPD5294	Clinical (unspecified phase)
0.6989	Remote Similarity	NPD2904	Discontinued
0.6976	Remote Similarity	NPD4596	Phase 1
0.6957	Remote Similarity	NPD4997	Clinical (unspecified phase)
0.6954	Remote Similarity	NPD3808	Clinical (unspecified phase)
0.6952	Remote Similarity	NPD2680	Approved
0.6952	Remote Similarity	NPD2681	Approved
0.695	Remote Similarity	NPD4605	Approved
0.695	Remote Similarity	NPD4604	Approved
0.6948	Remote Similarity	NPD7805	Phase 3
0.6947	Remote Similarity	NPD5603	Clinical (unspecified phase)
0.6946	Remote Similarity	NPD956	Clinical (unspecified phase)
0.6942	Remote Similarity	NPD4022	Approved
0.6942	Remote Similarity	NPD6593	Clinical (unspecified phase)
0.6942	Remote Similarity	NPD3472	Approved
0.6931	Remote Similarity	NPD5858	Discontinued
0.6923	Remote Similarity	NPD1337	Clinical (unspecified phase)
0.6912	Remote Similarity	NPD7064	Clinical (unspecified phase)
0.69	Remote Similarity	NPD5582	Discontinued
0.69	Remote Similarity	NPD7880	Clinical (unspecified phase)
0.6897	Remote Similarity	NPD7566	Clinical (unspecified phase)
0.6893	Remote Similarity	NPD7043	Discontinued
0.6888	Remote Similarity	NPD3863	Clinical (unspecified phase)
0.6885	Remote Similarity	NPD4201	Clinical (unspecified phase)
0.6882	Remote Similarity	NPD6533	Clinical (unspecified phase)
0.6878	Remote Similarity	NPD6644	Discontinued
0.6878	Remote Similarity	NPD3298	Approved
0.6875	Remote Similarity	NPD3372	Discontinued
0.6866	Remote Similarity	NPD6621	Clinical (unspecified phase)
0.6863	Remote Similarity	NPD6795	Clinical (unspecified phase)
0.6856	Remote Similarity	NPD3253	Clinical (unspecified phase)
0.6842	Remote Similarity	NPD4493	Discontinued
0.684	Remote Similarity	NPD3940	Clinical (unspecified phase)
0.6822	Remote Similarity	NPD3437	Discontinued
0.6821	Remote Similarity	NPD2791	Discontinued
0.6813	Remote Similarity	NPD1678	Clinical (unspecified phase)
0.681	Remote Similarity	NPD4494	Approved
0.681	Remote Similarity	NPD4492	Approved
0.6809	Remote Similarity	NPD2041	Clinical (unspecified phase)
0.6809	Remote Similarity	NPD2042	Clinical (unspecified phase)
0.6804	Remote Similarity	NPD7589	Clinical (unspecified phase)
0.68	Remote Similarity	NPD822	Approved
0.6798	Remote Similarity	NPD7810	Phase 3
0.6798	Remote Similarity	NPD7811	Phase 3
0.6798	Remote Similarity	NPD6874	Approved
0.6796	Remote Similarity	NPD4467	Phase 2
0.6796	Remote Similarity	NPD4465	Phase 2
0.6794	Remote Similarity	NPD3893	Discontinued
0.6782	Remote Similarity	NPD7238	Clinical (unspecified phase)
0.6769	Remote Similarity	NPD7132	Clinical (unspecified phase)
0.6758	Remote Similarity	NPD8330	Clinical (unspecified phase)
0.6758	Remote Similarity	NPD1670	Discontinued
0.6751	Remote Similarity	NPD3153	Approved
0.6751	Remote Similarity	NPD3154	Approved
0.6745	Remote Similarity	NPD4897	Phase 2
0.6744	Remote Similarity	NPD5433	Clinical (unspecified phase)
0.6744	Remote Similarity	NPD3783	Clinical (unspecified phase)
0.6734	Remote Similarity	NPD6377	Clinical (unspecified phase)
0.6732	Remote Similarity	NPD3416	Discontinued
0.673	Remote Similarity	NPD3888	Discontinued
0.6728	Remote Similarity	NPD3912	Discontinued
0.672	Remote Similarity	NPD5823	Approved
0.672	Remote Similarity	NPD6060	Clinical (unspecified phase)
0.6714	Remote Similarity	NPD8149	Discontinued
0.6704	Remote Similarity	NPD2241	Approved
0.6701	Remote Similarity	NPD6021	Clinical (unspecified phase)
0.6701	Remote Similarity	NPD6851	Approved
0.6701	Remote Similarity	NPD6853	Approved
0.6698	Remote Similarity	NPD4455	Discontinued
0.6697	Remote Similarity	NPD7821	Clinical (unspecified phase)
0.6684	Remote Similarity	NPD2249	Approved
0.6684	Remote Similarity	NPD7126	Discontinued
0.6684	Remote Similarity	NPD2247	Approved
0.6684	Remote Similarity	NPD6063	Approved
0.6684	Remote Similarity	NPD4020	Clinical (unspecified phase)
0.6684	Remote Similarity	NPD6645	Clinical (unspecified phase)
0.6683	Remote Similarity	NPD7256	Discontinued
0.6683	Remote Similarity	NPD7255	Clinical (unspecified phase)
0.6683	Remote Similarity	NPD3473	Clinical (unspecified phase)
0.6667	Remote Similarity	NPD7796	Approved
0.6667	Remote Similarity	NPD6844	Discontinued
0.6667	Remote Similarity	NPD4668	Phase 2
0.6667	Remote Similarity	NPD7858	Clinical (unspecified phase)
0.6667	Remote Similarity	NPD7797	Approved
0.6651	Remote Similarity	NPD7584	Approved
0.6651	Remote Similarity	NPD7820	Phase 3
0.6651	Remote Similarity	NPD7583	Approved
0.665	Remote Similarity	NPD4258	Approved
0.665	Remote Similarity	NPD5896	Clinical (unspecified phase)
0.665	Remote Similarity	NPD4259	Approved
0.665	Remote Similarity	NPD6321	Discontinued
0.6649	Remote Similarity	NPD3684	Discontinued
0.6649	Remote Similarity	NPD5312	Approved
0.6649	Remote Similarity	NPD5334	Clinical (unspecified phase)
0.6649	Remote Similarity	NPD5313	Approved
0.6637	Remote Similarity	NPD7560	Approved
0.6635	Remote Similarity	NPD4900	Clinical (unspecified phase)
0.6634	Remote Similarity	NPD3297	Approved
0.6633	Remote Similarity	NPD7149	Clinical (unspecified phase)
0.6632	Remote Similarity	NPD2162	Clinical (unspecified phase)
0.6632	Remote Similarity	NPD6720	Clinical (unspecified phase)
0.662	Remote Similarity	NPD5496	Approved
0.6619	Remote Similarity	NPD7585	Approved
0.6618	Remote Similarity	NPD7071	Clinical (unspecified phase)
0.6615	Remote Similarity	NPD4083	Discontinued
0.6615	Remote Similarity	NPD5242	Approved
0.6615	Remote Similarity	NPD5441	Clinical (unspecified phase)
0.6615	Remote Similarity	NPD2216	Approved
0.6615	Remote Similarity	NPD2215	Approved
0.6614	Remote Similarity	NPD1307	Phase 2
0.6614	Remote Similarity	NPD1309	Phase 2
0.6613	Remote Similarity	NPD980	Clinical (unspecified phase)
0.6605	Remote Similarity	NPD3949	Clinical (unspecified phase)
0.6602	Remote Similarity	NPD2339	Phase 3
0.66	Remote Similarity	NPD5620	Clinical (unspecified phase)
0.6599	Remote Similarity	NPD6461	Clinical (unspecified phase)
0.6597	Remote Similarity	NPD2821	Approved
0.6597	Remote Similarity	NPD6457	Approved
0.6591	Remote Similarity	NPD7224	Discontinued
0.6591	Remote Similarity	NPD7223	Discontinued
0.6588	Remote Similarity	NPD3592	Approved
0.6588	Remote Similarity	NPD3591	Approved
0.6587	Remote Similarity	NPD3802	Phase 3
0.6582	Remote Similarity	NPD6496	Clinical (unspecified phase)
0.6582	Remote Similarity	NPD6297	Approved
0.6579	Remote Similarity	NPD6716	Phase 1
0.6577	Remote Similarity	NPD6199	Discontinued
0.6573	Remote Similarity	NPD6032	Approved
0.657	Remote Similarity	NPD7476	Discontinued
0.657	Remote Similarity	NPD6238	Discontinued
0.6567	Remote Similarity	NPD7628	Phase 3
0.6567	Remote Similarity	NPD7630	Phase 3
0.6567	Remote Similarity	NPD6136	Phase 2
0.6567	Remote Similarity	NPD7629	Clinical (unspecified phase)
0.6567	Remote Similarity	NPD4428	Discontinued
0.6561	Remote Similarity	NPD4871	Phase 2
0.656	Remote Similarity	NPD5507	Approved
0.656	Remote Similarity	NPD5506	Approved
0.6556	Remote Similarity	NPD4430	Phase 2
0.6553	Remote Similarity	NPD1880	Phase 3
0.6552	Remote Similarity	NPD7262	Phase 1
0.6552	Remote Similarity	NPD4539	Phase 1
0.6549	Remote Similarity	NPD4846	Phase 2
0.6546	Remote Similarity	NPD5966	Clinical (unspecified phase)
0.6538	Remote Similarity	NPD160	Clinical (unspecified phase)
0.6536	Remote Similarity	NPD3656	Approved
0.6535	Remote Similarity	NPD5525	Clinical (unspecified phase)
0.6533	Remote Similarity	NPD4483	Discontinued
0.6526	Remote Similarity	NPD683	Approved
0.6524	Remote Similarity	NPD4205	Phase 3
0.6524	Remote Similarity	NPD4901	Clinical (unspecified phase)
0.6524	Remote Similarity	NPD2672	Discontinued
0.6522	Remote Similarity	NPD7501	Clinical (unspecified phase)
0.652	Remote Similarity	NPD7669	Phase 3
0.6515	Remote Similarity	NPD4419	Clinical (unspecified phase)
0.6512	Remote Similarity	NPD4679	Discontinued
0.6508	Remote Similarity	NPD2996	Approved
0.6508	Remote Similarity	NPD3559	Clinical (unspecified phase)
0.6508	Remote Similarity	NPD3557	Approved
0.6508	Remote Similarity	NPD3558	Approved
0.6508	Remote Similarity	NPD3556	Approved
0.6508	Remote Similarity	NPD3560	Approved
0.6508	Remote Similarity	NPD7318	Phase 3
0.6505	Remote Similarity	NPD3229	Phase 2
0.6502	Remote Similarity	NPD3479	Discontinued
0.65	Remote Similarity	NPD6339	Approved
0.65	Remote Similarity	NPD6340	Approved
0.65	Remote Similarity	NPD3655	Clinical (unspecified phase)
0.6497	Remote Similarity	NPD6293	Clinical (unspecified phase)
0.6495	Remote Similarity	NPD7225	Discontinued
0.6495	Remote Similarity	NPD5078	Clinical (unspecified phase)
0.6495	Remote Similarity	NPD3451	Clinical (unspecified phase)
0.6495	Remote Similarity	NPD2246	Approved
0.6495	Remote Similarity	NPD2248	Approved

Structure

CID262725 OpenBabel06191716062D 22 24 0 0 1 0 0 0 0 0999 V2000 -1.5731 1.2071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0579 0.8827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 -4.5000 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 1.7321 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 -2.5000 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 -3.0000 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 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 -1.0000 0.0000 C 0 0 2 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 -1.7321 -0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8660 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -3.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5981 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5981 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 -4.0000 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 16 1 0 0 0 0 2 16 1 0 0 0 0 3 17 1 0 0 0 0 4 21 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 6 8 1 0 0 0 0 7 9 2 0 0 0 0 8 11 2 0 0 0 0 8 13 1 0 0 0 0 9 11 1 0 0 0 0 9 21 1 0 0 0 0 10 12 1 0 0 0 0 10 13 2 0 0 0 0 10 15 1 0 0 0 0 11 17 1 0 0 0 0 12 14 1 0 0 0 0 12 18 1 1 0 0 0 13 22 1 0 0 0 0 14 16 1 0 0 0 0 14 19 1 6 0 0 0 15 17 1 0 0 0 0 15 20 2 0 0 0 0 16 22 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	5315424
ChEMBL	CHEMBL2236572
ZINC

Physicochemical Properties

Molecular Weight:	305.13
ALogP:	-1.3403
MLogP:	2.56
XLogP:	1.24
# Rotatable Bonds:	7
Polar Surface Area:	79.23
# H-Bond Aceptor:	5
# H-Bond Donor:	2
# Rings:	3
# Heavy Atoms:	22

Download Data

Data Type	Select
General Info & Identifiers & Properties
Structure MOL file
Source Organisms
Biological Activities
Similar NPs/Drugs