NPASS Natural Product

Natural Product: NPC470428

Natural Product ID:	NPC470428
Common Name:	3Beta-Hydroxy-15-Nor-14-Oxo-8(17),12-Labdadien-14-Al
IUPAC Name:	(E)-4-[(1S,4aR,6S,8aR)-6-hydroxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-2-methylbut-2-enal
Synonyms:
Molecular Formula:	C19H30O2
Standard InCHIKey:	VIBIHOWJZCXZNF-WUWWUOSASA-N
Standard InCHI:	InChI=1S/C19H30O2/c1-13(12-20)6-8-15-14(2)7-9-16-18(3,4)17(21)10-11-19(15,16)5/h6,12,15-17,21H,2,7-11H2,1,3-5H3/b13-6+/t15-,16-,17-,19+/m0/s1
Canonical SMILES:	O=C/C(=C/C[C@H]1C(=C)CC[C@@H]2[C@]1(C)CC[C@@H](C2(C)C)O)/C
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
NPO21178	Chloranthus serratus	Species	Chloranthaceae	Eukaryota				PMID[22372956]

Biological Activity

Activity Type	# Activity
IC50	1

Activity Type	# Activity
Cell Line	1

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT113	Cell Line	RAW264.7	Mus musculus	IC50	>	10000	nM	24215398

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 NPC470428 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	89
0.1-0.2	666
0.2-0.3	3299
0.3-0.4	9227
0.4-0.5	8035
0.5-0.6	4814
0.6-0.7	3438
0.7-0.8	1235
0.8-0.85	76
0.85-0.9	7
0.9-0.95	1
0.95-1	2

Similarity Score	Similarity Level	Natural Product ID
0.9861	High Similarity	NPC476949
0.9726	High Similarity	NPC470429
0.9041	High Similarity	NPC78527
0.8765	High Similarity	NPC89747
0.8659	High Similarity	NPC206060
0.859	High Similarity	NPC281880
0.8553	High Similarity	NPC250621
0.8537	High Similarity	NPC475772
0.8514	High Similarity	NPC167706
0.85	High Similarity	NPC79945
0.8481	Intermediate Similarity	NPC159148
0.8462	Intermediate Similarity	NPC283789
0.8434	Intermediate Similarity	NPC474925
0.8434	Intermediate Similarity	NPC473229
0.8395	Intermediate Similarity	NPC470812
0.8354	Intermediate Similarity	NPC471514
0.8333	Intermediate Similarity	NPC253561
0.8333	Intermediate Similarity	NPC80088
0.8333	Intermediate Similarity	NPC472983
0.8333	Intermediate Similarity	NPC59436
0.8312	Intermediate Similarity	NPC167873
0.8312	Intermediate Similarity	NPC1973
0.8293	Intermediate Similarity	NPC470574
0.8289	Intermediate Similarity	NPC22134
0.8289	Intermediate Similarity	NPC91858
0.8289	Intermediate Similarity	NPC477138
0.8289	Intermediate Similarity	NPC243342
0.825	Intermediate Similarity	NPC90055
0.8235	Intermediate Similarity	NPC191684
0.8214	Intermediate Similarity	NPC158778
0.8214	Intermediate Similarity	NPC291665
0.8214	Intermediate Similarity	NPC104560
0.8205	Intermediate Similarity	NPC197659
0.8205	Intermediate Similarity	NPC203403
0.8193	Intermediate Similarity	NPC95594
0.8193	Intermediate Similarity	NPC153699
0.8193	Intermediate Similarity	NPC472986
0.8193	Intermediate Similarity	NPC179591
0.8193	Intermediate Similarity	NPC235341
0.8193	Intermediate Similarity	NPC472985
0.8193	Intermediate Similarity	NPC76164
0.8193	Intermediate Similarity	NPC477579
0.8182	Intermediate Similarity	NPC477923
0.8182	Intermediate Similarity	NPC66566
0.8182	Intermediate Similarity	NPC291503
0.8171	Intermediate Similarity	NPC33913
0.8171	Intermediate Similarity	NPC472265
0.8158	Intermediate Similarity	NPC182717
0.8158	Intermediate Similarity	NPC68443
0.8148	Intermediate Similarity	NPC48362
0.8148	Intermediate Similarity	NPC2524
0.8133	Intermediate Similarity	NPC92801
0.8118	Intermediate Similarity	NPC472973
0.8118	Intermediate Similarity	NPC262858
0.8118	Intermediate Similarity	NPC472240
0.8118	Intermediate Similarity	NPC119416
0.8095	Intermediate Similarity	NPC141292
0.8072	Intermediate Similarity	NPC22133
0.8072	Intermediate Similarity	NPC280203
0.8072	Intermediate Similarity	NPC109528
0.8056	Intermediate Similarity	NPC144650
0.8056	Intermediate Similarity	NPC225415
0.8052	Intermediate Similarity	NPC201048
0.8052	Intermediate Similarity	NPC306727
0.8052	Intermediate Similarity	NPC476366
0.8052	Intermediate Similarity	NPC100334
0.8049	Intermediate Similarity	NPC307258
0.8049	Intermediate Similarity	NPC64600
0.8026	Intermediate Similarity	NPC242001
0.8026	Intermediate Similarity	NPC164022
0.8025	Intermediate Similarity	NPC142163
0.8025	Intermediate Similarity	NPC473217
0.8025	Intermediate Similarity	NPC473420
0.8025	Intermediate Similarity	NPC170303
0.8025	Intermediate Similarity	NPC6434
0.8025	Intermediate Similarity	NPC119229
0.8023	Intermediate Similarity	NPC310479
0.8023	Intermediate Similarity	NPC85173
0.8023	Intermediate Similarity	NPC126993
0.8	Intermediate Similarity	NPC310752
0.8	Intermediate Similarity	NPC170394
0.8	Intermediate Similarity	NPC292491
0.8	Intermediate Similarity	NPC328539
0.8	Intermediate Similarity	NPC308038
0.8	Intermediate Similarity	NPC472802
0.8	Intermediate Similarity	NPC474677
0.7978	Intermediate Similarity	NPC469545
0.7978	Intermediate Similarity	NPC61369
0.7978	Intermediate Similarity	NPC5532
0.7976	Intermediate Similarity	NPC472974
0.7976	Intermediate Similarity	NPC131813
0.7976	Intermediate Similarity	NPC94755
0.7976	Intermediate Similarity	NPC158393
0.7976	Intermediate Similarity	NPC475069
0.7976	Intermediate Similarity	NPC175145
0.7975	Intermediate Similarity	NPC471798
0.7975	Intermediate Similarity	NPC40394
0.7975	Intermediate Similarity	NPC85105
0.7975	Intermediate Similarity	NPC283619
0.7975	Intermediate Similarity	NPC472805
0.7975	Intermediate Similarity	NPC101475
0.7975	Intermediate Similarity	NPC470711
0.7975	Intermediate Similarity	NPC477924
0.7975	Intermediate Similarity	NPC34177
0.7975	Intermediate Similarity	NPC157996
0.7975	Intermediate Similarity	NPC219809
0.7975	Intermediate Similarity	NPC149550
0.7975	Intermediate Similarity	NPC90979
0.7975	Intermediate Similarity	NPC470758
0.7931	Intermediate Similarity	NPC110923
0.7931	Intermediate Similarity	NPC472978
0.7931	Intermediate Similarity	NPC472975
0.7931	Intermediate Similarity	NPC272746
0.7931	Intermediate Similarity	NPC99380
0.7931	Intermediate Similarity	NPC72845
0.7931	Intermediate Similarity	NPC74296
0.7927	Intermediate Similarity	NPC93590
0.7927	Intermediate Similarity	NPC470813
0.7922	Intermediate Similarity	NPC471799
0.7907	Intermediate Similarity	NPC146554
0.7907	Intermediate Similarity	NPC314727
0.7907	Intermediate Similarity	NPC50488
0.7907	Intermediate Similarity	NPC474396
0.7901	Intermediate Similarity	NPC472301
0.7901	Intermediate Similarity	NPC172013
0.7901	Intermediate Similarity	NPC2482
0.7901	Intermediate Similarity	NPC476809
0.7895	Intermediate Similarity	NPC145498
0.7882	Intermediate Similarity	NPC475740
0.7875	Intermediate Similarity	NPC474989
0.7875	Intermediate Similarity	NPC167037
0.7875	Intermediate Similarity	NPC253807
0.7875	Intermediate Similarity	NPC22955
0.7875	Intermediate Similarity	NPC98386
0.7875	Intermediate Similarity	NPC285761
0.7875	Intermediate Similarity	NPC244385
0.7875	Intermediate Similarity	NPC6978
0.7875	Intermediate Similarity	NPC62336
0.7875	Intermediate Similarity	NPC158662
0.7875	Intermediate Similarity	NPC99168
0.7875	Intermediate Similarity	NPC300499
0.7875	Intermediate Similarity	NPC196753
0.7875	Intermediate Similarity	NPC138621
0.7875	Intermediate Similarity	NPC470396
0.7875	Intermediate Similarity	NPC230295
0.7867	Intermediate Similarity	NPC208999
0.7857	Intermediate Similarity	NPC476602
0.7857	Intermediate Similarity	NPC133954
0.7848	Intermediate Similarity	NPC106432
0.7848	Intermediate Similarity	NPC189883
0.7848	Intermediate Similarity	NPC470749
0.7848	Intermediate Similarity	NPC477925
0.7848	Intermediate Similarity	NPC265588
0.7848	Intermediate Similarity	NPC30590
0.7848	Intermediate Similarity	NPC274079
0.7848	Intermediate Similarity	NPC253190
0.7848	Intermediate Similarity	NPC470525
0.7848	Intermediate Similarity	NPC237460
0.7848	Intermediate Similarity	NPC122418
0.7848	Intermediate Similarity	NPC263582
0.7848	Intermediate Similarity	NPC290598
0.7848	Intermediate Similarity	NPC265328
0.7848	Intermediate Similarity	NPC27765
0.7848	Intermediate Similarity	NPC120098
0.7841	Intermediate Similarity	NPC152778
0.7841	Intermediate Similarity	NPC162615
0.7841	Intermediate Similarity	NPC139692
0.7841	Intermediate Similarity	NPC476304
0.7841	Intermediate Similarity	NPC205034
0.7831	Intermediate Similarity	NPC476927
0.7831	Intermediate Similarity	NPC312480
0.7831	Intermediate Similarity	NPC57370
0.7821	Intermediate Similarity	NPC75485
0.7821	Intermediate Similarity	NPC471797
0.7821	Intermediate Similarity	NPC168975
0.7816	Intermediate Similarity	NPC253186
0.7816	Intermediate Similarity	NPC221111
0.7816	Intermediate Similarity	NPC280149
0.7816	Intermediate Similarity	NPC182136
0.7816	Intermediate Similarity	NPC183283
0.7808	Intermediate Similarity	NPC52449
0.7808	Intermediate Similarity	NPC169275
0.7808	Intermediate Similarity	NPC101128
0.7805	Intermediate Similarity	NPC6663
0.7805	Intermediate Similarity	NPC14151
0.7805	Intermediate Similarity	NPC121984
0.7792	Intermediate Similarity	NPC477792
0.7792	Intermediate Similarity	NPC110799
0.7791	Intermediate Similarity	NPC471722
0.7778	Intermediate Similarity	NPC472463
0.7778	Intermediate Similarity	NPC291379
0.7778	Intermediate Similarity	NPC273410
0.7778	Intermediate Similarity	NPC53744
0.7778	Intermediate Similarity	NPC80530
0.7778	Intermediate Similarity	NPC100906
0.7778	Intermediate Similarity	NPC471039
0.7778	Intermediate Similarity	NPC1319
0.7778	Intermediate Similarity	NPC192428
0.7778	Intermediate Similarity	NPC229204
0.7778	Intermediate Similarity	NPC152061

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC470428 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	118
0.1-0.2	1149
0.2-0.3	3924
0.3-0.4	2741
0.4-0.5	773
0.5-0.6	200
0.6-0.7	195
0.7-0.8	60
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
0.8193	Intermediate Similarity	NPD3618	Phase 1
0.7931	Intermediate Similarity	NPD6079	Approved
0.7907	Intermediate Similarity	NPD5328	Approved
0.7778	Intermediate Similarity	NPD7645	Phase 2
0.7778	Intermediate Similarity	NPD4697	Phase 3
0.7738	Intermediate Similarity	NPD3665	Phase 1
0.7738	Intermediate Similarity	NPD3666	Approved
0.7738	Intermediate Similarity	NPD3133	Approved
0.7727	Intermediate Similarity	NPD7515	Phase 2
0.7711	Intermediate Similarity	NPD3667	Approved
0.7683	Intermediate Similarity	NPD7525	Registered
0.764	Intermediate Similarity	NPD4202	Approved
0.7625	Intermediate Similarity	NPD3701	Clinical (unspecified phase)
0.7582	Intermediate Similarity	NPD5220	Clinical (unspecified phase)
0.7582	Intermediate Similarity	NPD5221	Approved
0.7582	Intermediate Similarity	NPD5222	Approved
0.7529	Intermediate Similarity	NPD4786	Approved
0.75	Intermediate Similarity	NPD6942	Approved
0.75	Intermediate Similarity	NPD5173	Approved
0.75	Intermediate Similarity	NPD7339	Approved
0.747	Intermediate Similarity	NPD4695	Discontinued
0.7419	Intermediate Similarity	NPD4225	Approved
0.7375	Intermediate Similarity	NPD6924	Approved
0.7375	Intermediate Similarity	NPD6926	Approved
0.7363	Intermediate Similarity	NPD7748	Approved
0.7356	Intermediate Similarity	NPD5279	Phase 3
0.7349	Intermediate Similarity	NPD4195	Approved
0.734	Intermediate Similarity	NPD5285	Approved
0.734	Intermediate Similarity	NPD5286	Approved
0.734	Intermediate Similarity	NPD4696	Approved
0.7312	Intermediate Similarity	NPD4755	Approved
0.7263	Intermediate Similarity	NPD5223	Approved
0.7234	Intermediate Similarity	NPD7638	Approved
0.7234	Intermediate Similarity	NPD5290	Discontinued
0.7195	Intermediate Similarity	NPD6933	Approved
0.7188	Intermediate Similarity	NPD5226	Approved
0.7188	Intermediate Similarity	NPD4633	Approved
0.7188	Intermediate Similarity	NPD5211	Phase 2
0.7188	Intermediate Similarity	NPD5225	Approved
0.7188	Intermediate Similarity	NPD5224	Approved
0.7159	Intermediate Similarity	NPD3574	Clinical (unspecified phase)
0.7158	Intermediate Similarity	NPD7640	Approved
0.7158	Intermediate Similarity	NPD7639	Approved
0.7158	Intermediate Similarity	NPD4700	Approved
0.7128	Intermediate Similarity	NPD7902	Approved
0.7125	Intermediate Similarity	NPD7150	Approved
0.7125	Intermediate Similarity	NPD7151	Approved
0.7125	Intermediate Similarity	NPD7152	Approved
0.7113	Intermediate Similarity	NPD5174	Approved
0.7113	Intermediate Similarity	NPD5175	Approved
0.7111	Intermediate Similarity	NPD4753	Phase 2
0.7093	Intermediate Similarity	NPD4221	Approved
0.7093	Intermediate Similarity	NPD4223	Phase 3
0.7089	Intermediate Similarity	NPD6923	Approved
0.7089	Intermediate Similarity	NPD6922	Approved
0.7073	Intermediate Similarity	NPD8264	Approved
0.7059	Intermediate Similarity	NPD7509	Discontinued
0.7045	Intermediate Similarity	NPD7520	Clinical (unspecified phase)
0.7041	Intermediate Similarity	NPD5141	Approved
0.7	Intermediate Similarity	NPD7144	Approved
0.7	Intermediate Similarity	NPD7143	Approved
0.6941	Remote Similarity	NPD6929	Approved
0.6939	Remote Similarity	NPD4754	Approved
0.6932	Remote Similarity	NPD3668	Phase 3
0.6932	Remote Similarity	NPD4197	Approved
0.6915	Remote Similarity	NPD4629	Approved
0.6915	Remote Similarity	NPD5210	Approved
0.69	Remote Similarity	NPD5697	Approved
0.6897	Remote Similarity	NPD4752	Clinical (unspecified phase)
0.6889	Remote Similarity	NPD3573	Approved
0.686	Remote Similarity	NPD6931	Approved
0.686	Remote Similarity	NPD8259	Clinical (unspecified phase)
0.686	Remote Similarity	NPD6930	Phase 2
0.6854	Remote Similarity	NPD5329	Approved
0.6832	Remote Similarity	NPD5168	Approved
0.6832	Remote Similarity	NPD6899	Approved
0.6832	Remote Similarity	NPD6881	Approved
0.6832	Remote Similarity	NPD4729	Approved
0.6832	Remote Similarity	NPD4730	Approved
0.6832	Remote Similarity	NPD6011	Approved
0.6832	Remote Similarity	NPD5128	Approved
0.6824	Remote Similarity	NPD3617	Approved
0.6818	Remote Similarity	NPD4788	Approved
0.6809	Remote Similarity	NPD7900	Approved
0.6809	Remote Similarity	NPD7901	Clinical (unspecified phase)
0.68	Remote Similarity	NPD6402	Approved
0.68	Remote Similarity	NPD4767	Approved
0.68	Remote Similarity	NPD5739	Approved
0.68	Remote Similarity	NPD7128	Approved
0.68	Remote Similarity	NPD4768	Approved
0.68	Remote Similarity	NPD6675	Approved
0.6778	Remote Similarity	NPD4138	Approved
0.6778	Remote Similarity	NPD5690	Phase 2
0.6778	Remote Similarity	NPD6409	Approved
0.6778	Remote Similarity	NPD4688	Approved
0.6778	Remote Similarity	NPD6684	Approved
0.6778	Remote Similarity	NPD5330	Approved
0.6778	Remote Similarity	NPD7521	Approved
0.6778	Remote Similarity	NPD7146	Approved
0.6778	Remote Similarity	NPD4623	Approved
0.6778	Remote Similarity	NPD4690	Approved
0.6778	Remote Similarity	NPD5205	Approved
0.6778	Remote Similarity	NPD4693	Phase 3
0.6778	Remote Similarity	NPD4519	Discontinued
0.6778	Remote Similarity	NPD4689	Approved
0.6778	Remote Similarity	NPD7334	Approved
0.6765	Remote Similarity	NPD6013	Approved
0.6765	Remote Similarity	NPD6014	Approved
0.6765	Remote Similarity	NPD6012	Approved
0.6733	Remote Similarity	NPD5701	Approved
0.6707	Remote Similarity	NPD4243	Approved
0.6706	Remote Similarity	NPD6925	Approved
0.6706	Remote Similarity	NPD5776	Phase 2
0.6706	Remote Similarity	NPD6932	Approved
0.6703	Remote Similarity	NPD4751	Clinical (unspecified phase)
0.6702	Remote Similarity	NPD6399	Phase 3
0.6699	Remote Similarity	NPD5251	Approved
0.6699	Remote Similarity	NPD6883	Approved
0.6699	Remote Similarity	NPD5248	Approved
0.6699	Remote Similarity	NPD5249	Phase 3
0.6699	Remote Similarity	NPD5135	Approved
0.6699	Remote Similarity	NPD4634	Approved
0.6699	Remote Similarity	NPD5247	Approved
0.6699	Remote Similarity	NPD5250	Approved
0.6699	Remote Similarity	NPD5134	Clinical (unspecified phase)
0.6699	Remote Similarity	NPD5169	Approved
0.6699	Remote Similarity	NPD7290	Approved
0.6699	Remote Similarity	NPD7102	Approved
0.6667	Remote Similarity	NPD1696	Phase 3
0.6667	Remote Similarity	NPD7320	Approved
0.6667	Remote Similarity	NPD4748	Discontinued
0.6635	Remote Similarity	NPD5216	Approved
0.6635	Remote Similarity	NPD5217	Approved
0.6635	Remote Similarity	NPD6650	Approved
0.6635	Remote Similarity	NPD5215	Approved
0.6635	Remote Similarity	NPD5127	Approved
0.6635	Remote Similarity	NPD8130	Phase 1
0.6635	Remote Similarity	NPD6617	Approved
0.6635	Remote Similarity	NPD6869	Approved
0.6635	Remote Similarity	NPD6649	Approved
0.6635	Remote Similarity	NPD6847	Approved
0.663	Remote Similarity	NPD6903	Approved
0.663	Remote Similarity	NPD7513	Clinical (unspecified phase)
0.6629	Remote Similarity	NPD6695	Phase 3
0.6628	Remote Similarity	NPD7145	Approved
0.6628	Remote Similarity	NPD7322	Clinical (unspecified phase)
0.6602	Remote Similarity	NPD6372	Approved
0.6602	Remote Similarity	NPD6373	Approved
0.6598	Remote Similarity	NPD6084	Phase 2
0.6598	Remote Similarity	NPD6083	Phase 2
0.6593	Remote Similarity	NPD5280	Approved
0.6593	Remote Similarity	NPD4694	Approved
0.6585	Remote Similarity	NPD4691	Approved
0.6571	Remote Similarity	NPD8297	Approved
0.6571	Remote Similarity	NPD6882	Approved
0.6556	Remote Similarity	NPD7338	Clinical (unspecified phase)
0.6552	Remote Similarity	NPD6683	Phase 2
0.6548	Remote Similarity	NPD4785	Approved
0.6548	Remote Similarity	NPD4784	Approved
0.6509	Remote Similarity	NPD4632	Approved
0.65	Remote Similarity	NPD7632	Discontinued
0.6484	Remote Similarity	NPD6893	Approved
0.6484	Remote Similarity	NPD1694	Approved
0.6477	Remote Similarity	NPD7332	Phase 2
0.6477	Remote Similarity	NPD7514	Phase 3
0.6476	Remote Similarity	NPD6401	Clinical (unspecified phase)
0.6471	Remote Similarity	NPD5275	Approved
0.6471	Remote Similarity	NPD4190	Phase 3
0.6463	Remote Similarity	NPD4137	Phase 3
0.6463	Remote Similarity	NPD3700	Clinical (unspecified phase)
0.6463	Remote Similarity	NPD3699	Clinical (unspecified phase)
0.6452	Remote Similarity	NPD5737	Approved
0.6452	Remote Similarity	NPD6672	Approved
0.6449	Remote Similarity	NPD5167	Approved
0.6421	Remote Similarity	NPD8035	Phase 2
0.6421	Remote Similarity	NPD8034	Phase 2
0.6421	Remote Similarity	NPD6411	Approved
0.641	Remote Similarity	NPD368	Approved
0.6404	Remote Similarity	NPD6898	Phase 1
0.6404	Remote Similarity	NPD6902	Approved
0.6392	Remote Similarity	NPD5695	Phase 3
0.6389	Remote Similarity	NPD6868	Approved
0.6389	Remote Similarity	NPD6274	Approved
0.6386	Remote Similarity	NPD4747	Approved
0.6383	Remote Similarity	NPD7285	Clinical (unspecified phase)
0.6364	Remote Similarity	NPD5696	Approved
0.6353	Remote Similarity	NPD4058	Approved
0.6346	Remote Similarity	NPD6686	Approved
0.6344	Remote Similarity	NPD7750	Discontinued
0.6344	Remote Similarity	NPD7524	Approved
0.633	Remote Similarity	NPD7115	Discovery
0.633	Remote Similarity	NPD6317	Approved
0.633	Remote Similarity	NPD6009	Approved
0.6316	Remote Similarity	NPD4096	Approved
0.631	Remote Similarity	NPD4809	Clinical (unspecified phase)
0.631	Remote Similarity	NPD4808	Clinical (unspecified phase)
0.6296	Remote Similarity	NPD7331	Phase 2
0.6279	Remote Similarity	NPD3703	Phase 2
0.6273	Remote Similarity	NPD6314	Approved
0.6273	Remote Similarity	NPD6335	Approved

Structure

NPC470428 OpenBabel07101719402D 21 22 0 0 1 0 0 0 0 0999 V2000 1.7321 -5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5000 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5000 0.8660 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 2.5981 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 -0.5000 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 1.7321 -0.0000 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 -0.0000 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 -5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 -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 -2.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8660 -0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8660 -0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 -1.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4641 -6.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 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 14 2 0 0 0 0 3 18 1 0 0 0 0 4 18 1 0 0 0 0 6 8 1 0 0 0 0 6 13 2 0 0 0 0 7 9 1 0 0 0 0 7 14 1 0 0 0 0 8 15 1 0 0 0 0 9 16 1 0 0 0 0 10 11 1 0 0 0 0 10 17 1 0 0 0 0 11 19 1 0 0 0 0 12 13 1 0 0 0 0 12 20 2 0 0 0 0 14 15 1 0 0 0 0 15 19 1 6 0 0 0 16 18 1 0 0 0 0 16 19 1 6 0 0 0 17 18 1 0 0 0 0 17 21 1 6 0 0 0 19 5 1 6 0 0 0 M END $$$$

External Identifiers

PubChem CID	57409862
ChEMBL	CHEMBL2036049
ZINC

Physicochemical Properties

Molecular Weight:	290.22
ALogP:	1.8024
MLogP:	3.33
XLogP:	4.52
# Rotatable Bonds:	8
Polar Surface Area:	37.3
# H-Bond Aceptor:	2
# H-Bond Donor:	1
# Rings:	2
# Heavy Atoms:	21

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