NPASS Natural Product

Natural Product: NPC153719

Natural Product ID:	NPC153719
Common Name:	n.a.
IUPAC Name:
Synonyms:	2Beta,6Beta,16Alpha,17-Tetrahydroxy-Entkaurane
Molecular Formula:	C20H34O4
Standard InCHIKey:	KNCLQQIOJPEOIX-NHIWDXHTSA-N
Standard InCHI:	InChI=1S/C20H34O4/c1-17(2)7-13(22)8-18(3)15-5-4-12-6-19(15,9-14(23)16(17)18)10-20(12,24)11-21/h12-16,21-24H,4-11H2,1-3H3/t12-,13-,14-,15+,16-,18+,19-,20+/m1/s1
Canonical SMILES:	OC[C@@]1(O)C[C@@]23C[C@H]1CC[C@H]3[C@]1([C@H]([C@@H](C2)O)C(C)(C)C[C@H](C1)O)C
First Find Year:
Max Developmental Stage:
Synthetic Gene Cluster:	;

Species Source

Organism ID	Organism Name	Taxonomy Level	Family	SuperKingdom	Isolation Part	Reference
NPO10624	Solidago wrightii	Species	Asteraceae	Eukaryota		UNPD*
NPO15094	Coriaria myrtifolia	Species	Coriariaceae	Eukaryota		UNPD*
NPO16170	Xerula longipes	Species	Physalacriaceae	Eukaryota		UNPD*
NPO26770	Pteris multifida	Species	Pteridaceae	Eukaryota	Whole plant	PMID[18181575]
NPO14630	Boronia ramosa	Species	Rutaceae	Eukaryota		UNPD*
NPO13360	Passiflora racemosa	Species	Passifloraceae	Eukaryota		UNPD*
NPO9155	Kageneckia angustifolia	Species	Rosaceae	Eukaryota		UNPD*
NPO8866	Papaver atlanticum	Species	Papaveraceae	Eukaryota		UNPD*
NPO15818	Lycianthes marlipoensis	Species	Solanaceae	Eukaryota		UNPD*
NPO12294	Kydia calycina	Species	Malvaceae	Eukaryota		UNPD*
NPO26770	Pteris multifida	Species	Pteridaceae	Eukaryota		UNPD*
NPO8611	Cornutia grandifolia	Species	Lamiaceae	Eukaryota		UNPD*
NPO15726	Rudbeckia subtomentosa	Species	Asteraceae	Eukaryota		UNPD*
NPO2312	Encephalosphaera lasiandra	Species	Acanthaceae	Eukaryota		UNPD*
NPO19369	Bacillus thuringiensis	Species	Bacillaceae	Bacteria		UNPD*
NPO15306	Smilax japonica	Species	Smilacaceae	Eukaryota		UNPD*
NPO11567	Picradeniopsis absinthifolia	Species	Asteraceae	Eukaryota		UNPD*
NPO12517	Tylophora cordifolia	Species	Apocynaceae	Eukaryota		UNPD*
NPO13626	Aconitum karakolicum	Species	Ranunculaceae	Eukaryota		UNPD*
NPO27787	Pseudocentrotus depressus	Species	Echinidae	Eukaryota		UNPD*
NPO7056	Pedinophyllum interruptum	Species	Plagiochilaceae	Eukaryota		UNPD*
NPO2756	Emerita analoga	Species	Hippidae	Eukaryota		UNPD*
NPO7868	Xeromphis obovata	NA	NA	NA		UNPD*
NPO13236	Viguiera multiflora	Species	Asteraceae	Eukaryota		UNPD*
NPO11601	Chandonanthus hirtellus	Species	Anastrophyllaceae	Eukaryota		UNPD*
NPO1890	Lidbeckia pectinata	Species	Asteraceae	Eukaryota		UNPD*
NPO3494	Swietenia mahagoni	Species	Meliaceae	Eukaryota		UNPD*
NPO21926	Pseudomonas aeruginosa	Species	Pseudomonadaceae	Bacteria		UNPD*
NPO14077	Chamaecyparis lawsoniana	Species	Cupressaceae	Eukaryota		UNPD*

Biological Activity

Activity Type	# Activity
IC50	4

Activity Type	# Activity
Cell Line	4

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT111	Cell Line	K562	Homo sapiens	IC50	=	81860	nM	18181575
NPT65	Cell Line	HepG2	Homo sapiens	IC50	=	82430	nM	18181575
NPT91	Cell Line	KB	Homo sapiens	IC50	=	53660	nM	18181575
NPT114	Cell Line	LoVo	Homo sapiens	IC50	=	91660	nM	18181575

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 NPC153719 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	209
0.1-0.2	2378
0.2-0.3	8609
0.3-0.4	9946
0.4-0.5	3491
0.5-0.6	3520
0.6-0.7	1950
0.7-0.8	615
0.8-0.85	88
0.85-0.9	50
0.9-0.95	29
0.95-1	4

Similarity Score	Similarity Level	Natural Product ID
0.971	High Similarity	NPC317242
0.9706	High Similarity	NPC470610
0.9571	High Similarity	NPC163597
0.9565	High Similarity	NPC48795
0.9437	High Similarity	NPC477227
0.9437	High Similarity	NPC185915
0.9437	High Similarity	NPC128951
0.9437	High Similarity	NPC302578
0.9437	High Similarity	NPC105208
0.9437	High Similarity	NPC192046
0.9412	High Similarity	NPC63588
0.9412	High Similarity	NPC232925
0.9412	High Similarity	NPC251201
0.9306	High Similarity	NPC67657
0.9306	High Similarity	NPC18857
0.9286	High Similarity	NPC304499
0.9265	High Similarity	NPC107919
0.9265	High Similarity	NPC66407
0.9265	High Similarity	NPC477820
0.9254	High Similarity	NPC63190
0.9178	High Similarity	NPC287452
0.9155	High Similarity	NPC243027
0.9155	High Similarity	NPC196136
0.9155	High Similarity	NPC158208
0.913	High Similarity	NPC192192
0.9014	High Similarity	NPC192501
0.9014	High Similarity	NPC228994
0.9014	High Similarity	NPC10476
0.9	High Similarity	NPC1340
0.9	High Similarity	NPC252182
0.9	High Similarity	NPC187471
0.9	High Similarity	NPC127094
0.9	High Similarity	NPC470071
0.8986	High Similarity	NPC299948
0.8986	High Similarity	NPC254037
0.8986	High Similarity	NPC241085
0.8986	High Similarity	NPC129829
0.8986	High Similarity	NPC470830
0.8955	High Similarity	NPC243469
0.8955	High Similarity	NPC475943
0.8955	High Similarity	NPC190827
0.8904	High Similarity	NPC133596
0.8904	High Similarity	NPC474574
0.8904	High Similarity	NPC11907
0.8904	High Similarity	NPC64081
0.8889	High Similarity	NPC91387
0.8889	High Similarity	NPC270306
0.8889	High Similarity	NPC231680
0.8857	High Similarity	NPC231945
0.8841	High Similarity	NPC474756
0.8824	High Similarity	NPC44122
0.8816	High Similarity	NPC475388
0.8806	High Similarity	NPC281540
0.8806	High Similarity	NPC159654
0.8806	High Similarity	NPC118937
0.8806	High Similarity	NPC167995
0.8784	High Similarity	NPC147993
0.8767	High Similarity	NPC477602
0.8767	High Similarity	NPC477601
0.8767	High Similarity	NPC473916
0.8767	High Similarity	NPC470145
0.8732	High Similarity	NPC131506
0.8732	High Similarity	NPC157777
0.8714	High Similarity	NPC470833
0.8701	High Similarity	NPC478054
0.8696	High Similarity	NPC48079
0.8667	High Similarity	NPC269333
0.8667	High Similarity	NPC81074
0.8667	High Similarity	NPC477282
0.8657	High Similarity	NPC236099
0.8657	High Similarity	NPC249078
0.8657	High Similarity	NPC209686
0.8657	High Similarity	NPC114891
0.8649	High Similarity	NPC476233
0.8611	High Similarity	NPC472341
0.8611	High Similarity	NPC473238
0.8571	High Similarity	NPC472741
0.8553	High Similarity	NPC470609
0.8551	High Similarity	NPC142712
0.8533	High Similarity	NPC471045
0.8507	High Similarity	NPC218585
0.8507	High Similarity	NPC148174
0.8507	High Similarity	NPC71460
0.8493	Intermediate Similarity	NPC475458
0.8493	Intermediate Similarity	NPC477508
0.8481	Intermediate Similarity	NPC266651
0.8472	Intermediate Similarity	NPC157422
0.8472	Intermediate Similarity	NPC109457
0.8472	Intermediate Similarity	NPC100586
0.8429	Intermediate Similarity	NPC473230
0.8429	Intermediate Similarity	NPC475884
0.8421	Intermediate Similarity	NPC476176
0.8406	Intermediate Similarity	NPC473276
0.8406	Intermediate Similarity	NPC474380
0.8406	Intermediate Similarity	NPC41577
0.8406	Intermediate Similarity	NPC472946
0.8406	Intermediate Similarity	NPC260116
0.84	Intermediate Similarity	NPC171658
0.8378	Intermediate Similarity	NPC139765
0.8378	Intermediate Similarity	NPC131584
0.8375	Intermediate Similarity	NPC121981
0.8375	Intermediate Similarity	NPC476726
0.8375	Intermediate Similarity	NPC472272
0.8375	Intermediate Similarity	NPC476727
0.8354	Intermediate Similarity	NPC255882
0.8333	Intermediate Similarity	NPC154043
0.8333	Intermediate Similarity	NPC202688
0.8333	Intermediate Similarity	NPC470611
0.8333	Intermediate Similarity	NPC60018
0.8333	Intermediate Similarity	NPC282454
0.8312	Intermediate Similarity	NPC78545
0.8312	Intermediate Similarity	NPC16449
0.8312	Intermediate Similarity	NPC71535
0.8289	Intermediate Similarity	NPC477819
0.8289	Intermediate Similarity	NPC477817
0.8272	Intermediate Similarity	NPC161928
0.8272	Intermediate Similarity	NPC210658
0.8267	Intermediate Similarity	NPC91573
0.8261	Intermediate Similarity	NPC69149
0.825	Intermediate Similarity	NPC232044
0.825	Intermediate Similarity	NPC273290
0.8228	Intermediate Similarity	NPC111582
0.8228	Intermediate Similarity	NPC85095
0.8228	Intermediate Similarity	NPC211135
0.8228	Intermediate Similarity	NPC470070
0.8228	Intermediate Similarity	NPC232023
0.8228	Intermediate Similarity	NPC216420
0.8228	Intermediate Similarity	NPC477285
0.8219	Intermediate Similarity	NPC195530
0.8219	Intermediate Similarity	NPC473279
0.8219	Intermediate Similarity	NPC478103
0.8219	Intermediate Similarity	NPC8004
0.8219	Intermediate Similarity	NPC127283
0.8205	Intermediate Similarity	NPC190940
0.8205	Intermediate Similarity	NPC469745
0.8194	Intermediate Similarity	NPC99264
0.8182	Intermediate Similarity	NPC220379
0.8171	Intermediate Similarity	NPC128475
0.8158	Intermediate Similarity	NPC212453
0.8148	Intermediate Similarity	NPC471240
0.8125	Intermediate Similarity	NPC320824
0.8125	Intermediate Similarity	NPC227260
0.8101	Intermediate Similarity	NPC296734
0.8101	Intermediate Similarity	NPC477286
0.8101	Intermediate Similarity	NPC121121
0.8101	Intermediate Similarity	NPC317066
0.8101	Intermediate Similarity	NPC286719
0.8072	Intermediate Similarity	NPC228059
0.8072	Intermediate Similarity	NPC109744
0.806	Intermediate Similarity	NPC476735
0.8056	Intermediate Similarity	NPC475893
0.8052	Intermediate Similarity	NPC472499
0.8052	Intermediate Similarity	NPC171426
0.8052	Intermediate Similarity	NPC42853
0.8052	Intermediate Similarity	NPC472500
0.8052	Intermediate Similarity	NPC31828
0.8052	Intermediate Similarity	NPC471769
0.8052	Intermediate Similarity	NPC80089
0.8052	Intermediate Similarity	NPC324700
0.8052	Intermediate Similarity	NPC34046
0.8052	Intermediate Similarity	NPC224802
0.8049	Intermediate Similarity	NPC186145
0.8049	Intermediate Similarity	NPC474657
0.8025	Intermediate Similarity	NPC290612
0.8	Intermediate Similarity	NPC110778
0.8	Intermediate Similarity	NPC472503
0.8	Intermediate Similarity	NPC193870
0.8	Intermediate Similarity	NPC472854
0.8	Intermediate Similarity	NPC141941
0.8	Intermediate Similarity	NPC308440
0.8	Intermediate Similarity	NPC478130
0.7976	Intermediate Similarity	NPC279329
0.7976	Intermediate Similarity	NPC475751
0.7976	Intermediate Similarity	NPC473956
0.7975	Intermediate Similarity	NPC12933
0.7975	Intermediate Similarity	NPC73515
0.7973	Intermediate Similarity	NPC477822
0.7973	Intermediate Similarity	NPC473552
0.7973	Intermediate Similarity	NPC324984
0.7973	Intermediate Similarity	NPC323900
0.7973	Intermediate Similarity	NPC477821
0.7973	Intermediate Similarity	NPC477823
0.7952	Intermediate Similarity	NPC475664
0.7952	Intermediate Similarity	NPC281004
0.7949	Intermediate Similarity	NPC201276
0.7949	Intermediate Similarity	NPC80891
0.7949	Intermediate Similarity	NPC24504
0.7949	Intermediate Similarity	NPC49599
0.7949	Intermediate Similarity	NPC476316
0.7949	Intermediate Similarity	NPC49627
0.7927	Intermediate Similarity	NPC80700
0.7927	Intermediate Similarity	NPC6605
0.7927	Intermediate Similarity	NPC155531
0.7927	Intermediate Similarity	NPC201273
0.7927	Intermediate Similarity	NPC215968
0.7922	Intermediate Similarity	NPC477919
0.7922	Intermediate Similarity	NPC202540
0.7922	Intermediate Similarity	NPC180199
0.7917	Intermediate Similarity	NPC204233
0.791	Intermediate Similarity	NPC135438

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC153719 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	287
0.1-0.2	3699
0.2-0.3	3463
0.3-0.4	1115
0.4-0.5	255
0.5-0.6	210
0.6-0.7	109
0.7-0.8	17
0.8-0.85	4
0.85-0.9	1
0.9-0.95	1
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.9265	High Similarity	NPD4267	Clinical (unspecified phase)
0.8592	High Similarity	NPD4787	Phase 1
0.8052	Intermediate Similarity	NPD6114	Approved
0.8052	Intermediate Similarity	NPD6115	Approved
0.8052	Intermediate Similarity	NPD6118	Approved
0.8052	Intermediate Similarity	NPD6697	Approved
0.7848	Intermediate Similarity	NPD6928	Phase 2
0.7792	Intermediate Similarity	NPD6117	Approved
0.7733	Intermediate Similarity	NPD4809	Clinical (unspecified phase)
0.7733	Intermediate Similarity	NPD4808	Clinical (unspecified phase)
0.7692	Intermediate Similarity	NPD6116	Phase 1
0.7662	Intermediate Similarity	NPD3703	Phase 2
0.7625	Intermediate Similarity	NPD7525	Registered
0.76	Intermediate Similarity	NPD4244	Approved
0.76	Intermediate Similarity	NPD4245	Approved
0.7532	Intermediate Similarity	NPD6113	Clinical (unspecified phase)
0.7467	Intermediate Similarity	NPD3699	Clinical (unspecified phase)
0.7467	Intermediate Similarity	NPD3700	Clinical (unspecified phase)
0.7467	Intermediate Similarity	NPD3698	Phase 2
0.7386	Intermediate Similarity	NPD8171	Discontinued
0.7333	Intermediate Similarity	NPD5361	Clinical (unspecified phase)
0.7333	Intermediate Similarity	NPD5360	Phase 3
0.7143	Intermediate Similarity	NPD4789	Approved
0.6988	Remote Similarity	NPD4748	Discontinued
0.6966	Remote Similarity	NPD6701	Clinical (unspecified phase)
0.6966	Remote Similarity	NPD6700	Approved
0.6933	Remote Similarity	NPD3171	Clinical (unspecified phase)
0.6914	Remote Similarity	NPD3701	Clinical (unspecified phase)
0.6889	Remote Similarity	NPD6703	Approved
0.6889	Remote Similarity	NPD6702	Approved
0.6835	Remote Similarity	NPD4758	Discontinued
0.6818	Remote Similarity	NPD4751	Clinical (unspecified phase)
0.68	Remote Similarity	NPD371	Approved
0.679	Remote Similarity	NPD6942	Approved
0.679	Remote Similarity	NPD7339	Approved
0.679	Remote Similarity	NPD3702	Approved
0.6782	Remote Similarity	NPD7520	Clinical (unspecified phase)
0.6747	Remote Similarity	NPD5364	Discontinued
0.6747	Remote Similarity	NPD3671	Phase 1
0.6744	Remote Similarity	NPD4788	Approved
0.6707	Remote Similarity	NPD6933	Approved
0.6667	Remote Similarity	NPD7991	Discontinued
0.6667	Remote Similarity	NPD6705	Phase 1
0.6633	Remote Similarity	NPD8170	Clinical (unspecified phase)
0.6625	Remote Similarity	NPD5777	Approved
0.6625	Remote Similarity	NPD4243	Approved
0.6625	Remote Similarity	NPD6081	Approved
0.6471	Remote Similarity	NPD7645	Phase 2
0.6463	Remote Similarity	NPD6924	Approved
0.6463	Remote Similarity	NPD6926	Approved
0.6463	Remote Similarity	NPD4785	Approved
0.6463	Remote Similarity	NPD4784	Approved
0.6458	Remote Similarity	NPD7638	Approved
0.6452	Remote Similarity	NPD4202	Approved
0.6444	Remote Similarity	NPD7524	Approved
0.6418	Remote Similarity	NPD385	Approved
0.6418	Remote Similarity	NPD384	Approved
0.641	Remote Similarity	NPD4224	Phase 2
0.6395	Remote Similarity	NPD6931	Approved
0.6395	Remote Similarity	NPD6930	Phase 2
0.6392	Remote Similarity	NPD8418	Phase 2
0.6392	Remote Similarity	NPD7639	Approved
0.6392	Remote Similarity	NPD7640	Approved
0.6364	Remote Similarity	NPD6695	Phase 3
0.6354	Remote Similarity	NPD4755	Approved
0.6344	Remote Similarity	NPD8035	Phase 2
0.6344	Remote Similarity	NPD8034	Phase 2
0.6333	Remote Similarity	NPD8308	Discontinued
0.6311	Remote Similarity	NPD4634	Approved
0.6304	Remote Similarity	NPD5328	Approved
0.6292	Remote Similarity	NPD4786	Approved
0.6292	Remote Similarity	NPD7338	Clinical (unspecified phase)
0.6279	Remote Similarity	NPD6929	Approved
0.6269	Remote Similarity	NPD388	Approved
0.6269	Remote Similarity	NPD386	Approved
0.6265	Remote Similarity	NPD1810	Approved
0.6265	Remote Similarity	NPD1811	Approved
0.6263	Remote Similarity	NPD7632	Discontinued
0.6235	Remote Similarity	NPD6932	Approved
0.6224	Remote Similarity	NPD5286	Approved
0.6224	Remote Similarity	NPD4700	Approved
0.6224	Remote Similarity	NPD5285	Approved
0.6224	Remote Similarity	NPD4696	Approved
0.6204	Remote Similarity	NPD7328	Approved
0.6204	Remote Similarity	NPD7327	Approved
0.619	Remote Similarity	NPD4190	Phase 3
0.619	Remote Similarity	NPD5275	Approved
0.6186	Remote Similarity	NPD7919	Phase 3
0.6186	Remote Similarity	NPD7920	Phase 3
0.617	Remote Similarity	NPD6079	Approved
0.6162	Remote Similarity	NPD4159	Approved
0.6162	Remote Similarity	NPD5223	Approved
0.6154	Remote Similarity	NPD3618	Phase 1
0.6147	Remote Similarity	NPD7516	Approved
0.6132	Remote Similarity	NPD4632	Approved
0.6129	Remote Similarity	NPD4753	Phase 2
0.6122	Remote Similarity	NPD8088	Phase 1
0.6111	Remote Similarity	NPD3666	Approved
0.6111	Remote Similarity	NPD3133	Approved
0.6111	Remote Similarity	NPD3665	Phase 1
0.61	Remote Similarity	NPD5225	Approved
0.61	Remote Similarity	NPD5226	Approved
0.61	Remote Similarity	NPD5224	Approved
0.61	Remote Similarity	NPD4633	Approved
0.61	Remote Similarity	NPD5211	Phase 2
0.6092	Remote Similarity	NPD4195	Approved
0.6092	Remote Similarity	NPD6683	Phase 2
0.6091	Remote Similarity	NPD8294	Approved
0.6091	Remote Similarity	NPD8377	Approved
0.6087	Remote Similarity	NPD7750	Discontinued
0.6078	Remote Similarity	NPD5739	Approved
0.6078	Remote Similarity	NPD7128	Approved
0.6078	Remote Similarity	NPD6675	Approved
0.6078	Remote Similarity	NPD6402	Approved
0.6067	Remote Similarity	NPD3667	Approved
0.6047	Remote Similarity	NPD5776	Phase 2
0.6047	Remote Similarity	NPD6925	Approved
0.6044	Remote Similarity	NPD6893	Approved
0.604	Remote Similarity	NPD4754	Approved
0.604	Remote Similarity	NPD5174	Approved
0.604	Remote Similarity	NPD5175	Approved
0.6036	Remote Similarity	NPD8378	Approved
0.6036	Remote Similarity	NPD8033	Approved
0.6036	Remote Similarity	NPD8296	Approved
0.6036	Remote Similarity	NPD8380	Approved
0.6036	Remote Similarity	NPD8335	Approved
0.6036	Remote Similarity	NPD8379	Approved
0.6024	Remote Similarity	NPD7150	Approved
0.6024	Remote Similarity	NPD7152	Approved
0.6024	Remote Similarity	NPD7151	Approved
0.6023	Remote Similarity	NPD7514	Phase 3
0.6023	Remote Similarity	NPD7509	Discontinued
0.5981	Remote Similarity	NPD8133	Approved
0.598	Remote Similarity	NPD5141	Approved
0.5977	Remote Similarity	NPD7145	Approved
0.5976	Remote Similarity	NPD6923	Approved
0.5976	Remote Similarity	NPD6922	Approved
0.5962	Remote Similarity	NPD7320	Approved
0.5962	Remote Similarity	NPD6881	Approved
0.5962	Remote Similarity	NPD6899	Approved
0.5922	Remote Similarity	NPD4768	Approved
0.5922	Remote Similarity	NPD4767	Approved
0.5918	Remote Similarity	NPD5221	Approved
0.5918	Remote Similarity	NPD4697	Phase 3
0.5918	Remote Similarity	NPD5220	Clinical (unspecified phase)
0.5918	Remote Similarity	NPD5222	Approved
0.5905	Remote Similarity	NPD6372	Approved
0.5905	Remote Similarity	NPD6373	Approved
0.5904	Remote Similarity	NPD2687	Approved
0.5904	Remote Similarity	NPD7144	Approved
0.5904	Remote Similarity	NPD2686	Approved
0.5904	Remote Similarity	NPD7532	Clinical (unspecified phase)
0.5904	Remote Similarity	NPD7143	Approved
0.5904	Remote Similarity	NPD2254	Approved
0.5889	Remote Similarity	NPD4221	Approved
0.5889	Remote Similarity	NPD4223	Phase 3
0.5888	Remote Similarity	NPD8297	Approved
0.587	Remote Similarity	NPD5329	Approved
0.5865	Remote Similarity	NPD5701	Approved
0.5865	Remote Similarity	NPD6412	Phase 2
0.5865	Remote Similarity	NPD5697	Approved
0.5859	Remote Similarity	NPD6084	Phase 2
0.5859	Remote Similarity	NPD5173	Approved
0.5859	Remote Similarity	NPD6083	Phase 2
0.5849	Remote Similarity	NPD6883	Approved
0.5849	Remote Similarity	NPD7102	Approved
0.5849	Remote Similarity	NPD7290	Approved
0.5844	Remote Similarity	NPD3198	Approved
0.5843	Remote Similarity	NPD7332	Phase 2
0.5842	Remote Similarity	NPD1700	Approved
0.5833	Remote Similarity	NPD7087	Discontinued
0.5833	Remote Similarity	NPD7515	Phase 2
0.5826	Remote Similarity	NPD7507	Approved
0.5818	Remote Similarity	NPD6009	Approved
0.5816	Remote Similarity	NPD5210	Approved
0.5816	Remote Similarity	NPD4629	Approved
0.581	Remote Similarity	NPD6011	Approved
0.581	Remote Similarity	NPD4730	Approved
0.581	Remote Similarity	NPD5128	Approved
0.581	Remote Similarity	NPD4729	Approved
0.5806	Remote Similarity	NPD3574	Clinical (unspecified phase)
0.5804	Remote Similarity	NPD6059	Approved
0.5804	Remote Similarity	NPD6319	Approved
0.5804	Remote Similarity	NPD6054	Approved
0.5794	Remote Similarity	NPD6869	Approved
0.5794	Remote Similarity	NPD6649	Approved
0.5794	Remote Similarity	NPD6401	Clinical (unspecified phase)
0.5794	Remote Similarity	NPD6617	Approved
0.5794	Remote Similarity	NPD6847	Approved
0.5794	Remote Similarity	NPD8130	Phase 1
0.5794	Remote Similarity	NPD6650	Approved
0.5789	Remote Similarity	NPD6051	Approved
0.5778	Remote Similarity	NPD6902	Approved
0.5778	Remote Similarity	NPD4139	Approved
0.5778	Remote Similarity	NPD4692	Approved
0.5778	Remote Similarity	NPD6898	Phase 1
0.5773	Remote Similarity	NPD6399	Phase 3
0.5769	Remote Similarity	NPD6920	Discontinued
0.5761	Remote Similarity	NPD4197	Approved
0.5755	Remote Similarity	NPD6014	Approved

Structure

CID153719 OpenBabel06191715522D 24 27 0 0 1 0 0 0 0 0999 V2000 -0.3380 2.0766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1990 2.0766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.8610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5370 -1.7747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7685 -1.3311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3054 -0.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5370 0.8873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7685 -0.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5369 0.8874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4243 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3988 -0.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3055 -1.3311 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.5369 -0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7684 1.3311 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7685 -0.4437 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0000 0.8874 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7685 1.3310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5369 0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7492 -0.5625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5339 0.0729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2826 -0.4305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7684 2.1920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1766 -1.3029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 2 17 1 0 0 0 0 4 5 1 0 0 0 0 4 12 1 0 0 0 0 5 15 1 0 0 0 0 6 12 1 0 0 0 0 7 13 1 0 0 0 0 7 17 1 0 0 0 0 8 13 1 0 0 0 0 8 18 1 0 0 0 0 9 14 1 0 0 0 0 9 19 1 0 0 0 0 10 19 1 0 0 0 0 10 20 1 0 0 0 0 11 20 1 0 0 0 0 11 21 1 0 0 0 0 12 20 1 6 0 0 0 13 22 1 6 0 0 0 14 16 1 0 0 0 0 14 23 1 6 0 0 0 15 18 1 1 0 0 0 15 19 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 1 0 0 0 18 3 1 1 0 0 0 19 6 1 1 0 0 0 20 24 1 1 0 0 0 M END $$$$

External Identifiers

PubChem CID	24800717
ChEMBL	CHEMBL257595
ZINC

Physicochemical Properties

Molecular Weight:	338.25
ALogP:	-0.6258
MLogP:	3.22
XLogP:	2.777
# Rotatable Bonds:	8
Polar Surface Area:	80.92
# H-Bond Aceptor:	4
# H-Bond Donor:	4
# Rings:	4
# Heavy Atoms:	24

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