NPASS Natural Product

Natural Product: NPC290445

Natural Product ID:	NPC290445
Common Name:	Labd-8(17)-En-15, 19-Dioic Acid
IUPAC Name:	(1S,4aR,5S,8aR)-5-[(3S)-4-carboxy-3-methylbutyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid
Synonyms:
Molecular Formula:	C20H32O4
Standard InCHIKey:	HPQKNJHVWUWAOR-BWCMQUJESA-N
Standard InCHI:	InChI=1S/C20H32O4/c1-13(12-17(21)22)6-8-15-14(2)7-9-16-19(15,3)10-5-11-20(16,4)18(23)24/h13,15-16H,2,5-12H2,1,3-4H3,(H,21,22)(H,23,24)/t13-,15-,16+,19+,20-/m0/s1
Canonical SMILES:	OC(=O)C[C@H](CC[C@H]1C(=C)CC[C@@H]2[C@]1(C)CCC[C@]2(C)C(=O)O)C
First Find Year:
Max Developmental Stage:
Synthetic Gene Cluster:	;

Species Source

Organism ID	Organism Name	Taxonomy Level	Family	SuperKingdom	Reference
NPO9319	Pterocaulon virgatum	Species	Asteraceae	Eukaryota	UNPD*
NPO3873	Crotalaria candicans	Species	Fabaceae	Eukaryota	UNPD*
NPO4696	Sisymbrium irio	Species	Brassicaceae	Eukaryota	UNPD*
NPO22470	Corynebacterium glutamicum	Species	Corynebacteriaceae	Bacteria	UNPD*
NPO526	Salvia sessei	Species	Lamiaceae	Eukaryota	UNPD*
NPO7822.1	Eucalyptus globulus subsp. bicostata	Subspecies	Myrtaceae	Eukaryota	UNPD*
NPO11190	Veronica polita	Species	Plantaginaceae	Eukaryota	UNPD*
NPO2819	Angelica sylvestris	Species	Apiaceae	Eukaryota	UNPD*
NPO21720	Talaromyces variabilis	Species	Trichocomaceae	Eukaryota	UNPD*
NPO22691	Mentha cardiaca	Species	Lamiaceae	Eukaryota	UNPD*
NPO10922	Pentaclethra macrophylla	Species	Fabaceae	Eukaryota	UNPD*
NPO23384	Rhodiola semenovii	Species	Crassulaceae	Eukaryota	UNPD*
NPO11576	Glycosmis macrophylla	Species	Rutaceae	Eukaryota	UNPD*
NPO5629	Trimusculus reticulatus	Species	Trimusculidae	Eukaryota	UNPD*
NPO6731	Ononis spinosa	Species	Fabaceae	Eukaryota	UNPD*
NPO6671	Ulva conglobata	Species	Ulvaceae	Eukaryota	UNPD*
NPO6938	Astragalus dissectus	Species	Fabaceae	Eukaryota	UNPD*
NPO12205	Eucalyptus apodophylla	Species	Myrtaceae	Eukaryota	UNPD*
NPO38	Brickellia glomerata	Species	Asteraceae	Eukaryota	UNPD*
NPO1815	Breonia chinensis	Species	Rubiaceae	Eukaryota	UNPD*
NPO1257	Distephanus angulifolius	Species	Asteraceae	Eukaryota	UNPD*
NPO9532	Vernonia cistifolia	Species	Asteraceae	Eukaryota	UNPD*
NPO8186	Ocotea minarum	Species	Lauraceae	Eukaryota	UNPD*
NPO13135	Campylotropis hirtella	Species	Fabaceae	Eukaryota	UNPD*
NPO5456	Juniperus drupacea	Species	Cupressaceae	Eukaryota	UNPD*
NPO17292	Asparagus racemosus	Species	Asparagaceae	Eukaryota	UNPD*
NPO7773	Crinum moorei	Species	Amaryllidaceae	Eukaryota	UNPD*
NPO20619	Ougeinia dalbergioides	NA	NA	NA	UNPD*
NPO8934	Gypsophila perfoliata	Species	Caryophyllaceae	Eukaryota	UNPD*
NPO10638	Plectranthus myrianthus	Species	Lamiaceae	Eukaryota	UNPD*
NPO2384	Ircinia ramosa	Species	Irciniidae	Eukaryota	UNPD*
NPO865	Dendrobium loddigesii	Species	Orchidaceae	Eukaryota	UNPD*
NPO11911	Austroeupatorium inulifolium	Species	Asteraceae	Eukaryota	UNPD*
NPO21014	Brucea antidysenterica	Species	Simaroubaceae	Eukaryota	UNPD*
NPO7705	Navanax inermis	Species	Aglajidae	Eukaryota	UNPD*
NPO6592	Viguiera gilliesii	Species	Asteraceae	Eukaryota	UNPD*
NPO6289	Ceropegia dichotoma	Species	Apocynaceae	Eukaryota	UNPD*
NPO11843	Stephania zippeliana	Species	Menispermaceae	Eukaryota	UNPD*
NPO19502	Squamopappus skutchii	Species	Asteraceae	Eukaryota	UNPD*
NPO21165	Phagnalon atlanticum	Species	Asteraceae	Eukaryota	UNPD*
NPO5043	Eria japonica	Species	Orchidaceae	Eukaryota	UNPD*
NPO12091	Martensia denticulata	Species	Delesseriaceae	Eukaryota	UNPD*
NPO12796	Periploca sepium	Species	Apocynaceae	Eukaryota	UNPD*
NPO3781	Prorocentrum minimum	Species	Prorocentraceae	Eukaryota	UNPD*
NPO12565	Hypericum polyanthemum	Species	Hypericaceae	Eukaryota	UNPD*
NPO7925	Asparagus officinalis	Species	Asparagaceae	Eukaryota	UNPD*
NPO10605	Tristania conferta	Species	Myrtaceae	Eukaryota	UNPD*
NPO9704	Sonneratia caseolaris	Species	Lythraceae	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
NPT178	Individual Protein	Protein-tyrosine phosphatase 1B	Homo sapiens	Inhibition	=	35.6	%	26965864

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 NPC290445 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	75
0.1-0.2	876
0.2-0.3	4336
0.3-0.4	11672
0.4-0.5	5089
0.5-0.6	4925
0.6-0.7	3004
0.7-0.8	805
0.8-0.85	66
0.85-0.9	36
0.9-0.95	4
0.95-1	1

Similarity Score	Similarity Level	Natural Product ID
1.0	High Similarity	NPC36616
0.9394	High Similarity	NPC91369
0.9254	High Similarity	NPC72343
0.9118	High Similarity	NPC36310
0.9	High Similarity	NPC246445
0.8986	High Similarity	NPC46610
0.8986	High Similarity	NPC18819
0.8857	High Similarity	NPC476844
0.8841	High Similarity	NPC161187
0.8841	High Similarity	NPC330659
0.8841	High Similarity	NPC244708
0.8824	High Similarity	NPC235586
0.875	High Similarity	NPC110094
0.875	High Similarity	NPC280654
0.875	High Similarity	NPC260385
0.8732	High Similarity	NPC20466
0.8732	High Similarity	NPC476601
0.8732	High Similarity	NPC89294
0.8714	High Similarity	NPC255168
0.8714	High Similarity	NPC237591
0.8714	High Similarity	NPC3753
0.8714	High Similarity	NPC183503
0.8714	High Similarity	NPC161923
0.8714	High Similarity	NPC283908
0.8714	High Similarity	NPC103958
0.8696	High Similarity	NPC160817
0.863	High Similarity	NPC199595
0.8611	High Similarity	NPC107039
0.8611	High Similarity	NPC471897
0.8611	High Similarity	NPC68828
0.8611	High Similarity	NPC474433
0.8611	High Similarity	NPC238227
0.8611	High Similarity	NPC471899
0.8611	High Similarity	NPC61952
0.8611	High Similarity	NPC66105
0.8592	High Similarity	NPC192540
0.8592	High Similarity	NPC279666
0.8571	High Similarity	NPC472813
0.8514	High Similarity	NPC37038
0.8514	High Similarity	NPC104545
0.8507	High Similarity	NPC103734
0.8493	Intermediate Similarity	NPC239098
0.8493	Intermediate Similarity	NPC198240
0.8493	Intermediate Similarity	NPC321690
0.8493	Intermediate Similarity	NPC321514
0.8472	Intermediate Similarity	NPC69143
0.8451	Intermediate Similarity	NPC241854
0.8451	Intermediate Similarity	NPC251970
0.8451	Intermediate Similarity	NPC476046
0.84	Intermediate Similarity	NPC221647
0.84	Intermediate Similarity	NPC232625
0.84	Intermediate Similarity	NPC278459
0.84	Intermediate Similarity	NPC229584
0.84	Intermediate Similarity	NPC40228
0.84	Intermediate Similarity	NPC14203
0.8378	Intermediate Similarity	NPC231431
0.8378	Intermediate Similarity	NPC327674
0.8378	Intermediate Similarity	NPC192744
0.8378	Intermediate Similarity	NPC16394
0.8378	Intermediate Similarity	NPC158846
0.8356	Intermediate Similarity	NPC212661
0.8356	Intermediate Similarity	NPC471035
0.8356	Intermediate Similarity	NPC165711
0.8333	Intermediate Similarity	NPC39362
0.831	Intermediate Similarity	NPC177826
0.831	Intermediate Similarity	NPC279241
0.8289	Intermediate Similarity	NPC476292
0.8289	Intermediate Similarity	NPC474605
0.8267	Intermediate Similarity	NPC477057
0.8243	Intermediate Similarity	NPC476810
0.8243	Intermediate Similarity	NPC476986
0.8243	Intermediate Similarity	NPC269543
0.8243	Intermediate Similarity	NPC470905
0.8243	Intermediate Similarity	NPC247783
0.8243	Intermediate Similarity	NPC59436
0.8243	Intermediate Similarity	NPC179028
0.8219	Intermediate Similarity	NPC104806
0.8219	Intermediate Similarity	NPC309399
0.8219	Intermediate Similarity	NPC180886
0.8194	Intermediate Similarity	NPC166797
0.8194	Intermediate Similarity	NPC301065
0.8182	Intermediate Similarity	NPC167103
0.8182	Intermediate Similarity	NPC471037
0.8182	Intermediate Similarity	NPC200752
0.8158	Intermediate Similarity	NPC90055
0.8158	Intermediate Similarity	NPC147066
0.8158	Intermediate Similarity	NPC263272
0.8158	Intermediate Similarity	NPC267691
0.8158	Intermediate Similarity	NPC274050
0.8158	Intermediate Similarity	NPC327002
0.8158	Intermediate Similarity	NPC142244
0.8158	Intermediate Similarity	NPC162632
0.8158	Intermediate Similarity	NPC471898
0.8133	Intermediate Similarity	NPC263951
0.8133	Intermediate Similarity	NPC477371
0.8108	Intermediate Similarity	NPC469867
0.8082	Intermediate Similarity	NPC476795
0.8082	Intermediate Similarity	NPC201027
0.8077	Intermediate Similarity	NPC96095
0.8077	Intermediate Similarity	NPC472864
0.8077	Intermediate Similarity	NPC156981
0.8077	Intermediate Similarity	NPC19849
0.8052	Intermediate Similarity	NPC69101
0.8052	Intermediate Similarity	NPC133391
0.8052	Intermediate Similarity	NPC251779
0.8028	Intermediate Similarity	NPC163020
0.8	Intermediate Similarity	NPC74410
0.7975	Intermediate Similarity	NPC201655
0.7975	Intermediate Similarity	NPC269638
0.7949	Intermediate Similarity	NPC97913
0.7949	Intermediate Similarity	NPC477373
0.7949	Intermediate Similarity	NPC472740
0.7949	Intermediate Similarity	NPC70834
0.7949	Intermediate Similarity	NPC245866
0.7941	Intermediate Similarity	NPC234767
0.7922	Intermediate Similarity	NPC201912
0.7922	Intermediate Similarity	NPC38350
0.7922	Intermediate Similarity	NPC477372
0.7895	Intermediate Similarity	NPC196827
0.7895	Intermediate Similarity	NPC118987
0.7895	Intermediate Similarity	NPC476438
0.7895	Intermediate Similarity	NPC192329
0.7895	Intermediate Similarity	NPC192999
0.7895	Intermediate Similarity	NPC274996
0.7875	Intermediate Similarity	NPC472869
0.7875	Intermediate Similarity	NPC475007
0.7875	Intermediate Similarity	NPC186975
0.7875	Intermediate Similarity	NPC2783
0.7875	Intermediate Similarity	NPC324063
0.7875	Intermediate Similarity	NPC70661
0.7875	Intermediate Similarity	NPC73038
0.7875	Intermediate Similarity	NPC187545
0.7875	Intermediate Similarity	NPC472505
0.7875	Intermediate Similarity	NPC322159
0.7875	Intermediate Similarity	NPC80590
0.7867	Intermediate Similarity	NPC97377
0.7857	Intermediate Similarity	NPC469868
0.7857	Intermediate Similarity	NPC263161
0.7848	Intermediate Similarity	NPC164577
0.7848	Intermediate Similarity	NPC248758
0.7848	Intermediate Similarity	NPC477289
0.7848	Intermediate Similarity	NPC194937
0.7848	Intermediate Similarity	NPC263974
0.7848	Intermediate Similarity	NPC472865
0.7848	Intermediate Similarity	NPC476038
0.7826	Intermediate Similarity	NPC19311
0.7826	Intermediate Similarity	NPC230047
0.7826	Intermediate Similarity	NPC469791
0.7821	Intermediate Similarity	NPC238991
0.7821	Intermediate Similarity	NPC476984
0.7821	Intermediate Similarity	NPC260956
0.7821	Intermediate Similarity	NPC475395
0.7821	Intermediate Similarity	NPC320514
0.7821	Intermediate Similarity	NPC123880
0.7821	Intermediate Similarity	NPC471159
0.7821	Intermediate Similarity	NPC302661
0.7821	Intermediate Similarity	NPC170985
0.7808	Intermediate Similarity	NPC35656
0.7792	Intermediate Similarity	NPC274522
0.7792	Intermediate Similarity	NPC476265
0.7792	Intermediate Similarity	NPC170038
0.7778	Intermediate Similarity	NPC476409
0.7778	Intermediate Similarity	NPC264005
0.7778	Intermediate Similarity	NPC136948
0.7778	Intermediate Similarity	NPC477926
0.7778	Intermediate Similarity	NPC134197
0.7778	Intermediate Similarity	NPC128644
0.7778	Intermediate Similarity	NPC236618
0.7778	Intermediate Similarity	NPC158141
0.7778	Intermediate Similarity	NPC173089
0.7778	Intermediate Similarity	NPC33768
0.7778	Intermediate Similarity	NPC96496
0.7778	Intermediate Similarity	NPC269360
0.7763	Intermediate Similarity	NPC63020
0.775	Intermediate Similarity	NPC65661
0.775	Intermediate Similarity	NPC294438
0.775	Intermediate Similarity	NPC29447
0.775	Intermediate Similarity	NPC283733
0.775	Intermediate Similarity	NPC76333
0.775	Intermediate Similarity	NPC264317
0.775	Intermediate Similarity	NPC474537
0.7733	Intermediate Similarity	NPC899
0.7733	Intermediate Similarity	NPC474316
0.7733	Intermediate Similarity	NPC475744
0.7733	Intermediate Similarity	NPC476985
0.7722	Intermediate Similarity	NPC215893
0.7722	Intermediate Similarity	NPC83569
0.7722	Intermediate Similarity	NPC243347
0.7722	Intermediate Similarity	NPC168188
0.7722	Intermediate Similarity	NPC107253
0.7722	Intermediate Similarity	NPC312480
0.7722	Intermediate Similarity	NPC470015
0.7722	Intermediate Similarity	NPC69279
0.7722	Intermediate Similarity	NPC102197
0.7722	Intermediate Similarity	NPC105803
0.7714	Intermediate Similarity	NPC268736
0.7714	Intermediate Similarity	NPC42060
0.7714	Intermediate Similarity	NPC477931
0.7703	Intermediate Similarity	NPC306928
0.7703	Intermediate Similarity	NPC162164

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC290445 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	110
0.1-0.2	1636
0.2-0.3	3976
0.3-0.4	2223
0.4-0.5	694
0.5-0.6	297
0.6-0.7	191
0.7-0.8	34
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
0.775	Intermediate Similarity	NPD7520	Clinical (unspecified phase)
0.7564	Intermediate Similarity	NPD4695	Discontinued
0.7465	Intermediate Similarity	NPD4224	Phase 2
0.7432	Intermediate Similarity	NPD6081	Approved
0.7412	Intermediate Similarity	NPD8035	Phase 2
0.7412	Intermediate Similarity	NPD8034	Phase 2
0.7412	Intermediate Similarity	NPD7515	Phase 2
0.7381	Intermediate Similarity	NPD7285	Clinical (unspecified phase)
0.7375	Intermediate Similarity	NPD4752	Clinical (unspecified phase)
0.7326	Intermediate Similarity	NPD6399	Phase 3
0.7284	Intermediate Similarity	NPD4788	Approved
0.7241	Intermediate Similarity	NPD7748	Approved
0.7195	Intermediate Similarity	NPD4786	Approved
0.716	Intermediate Similarity	NPD3667	Approved
0.716	Intermediate Similarity	NPD4223	Phase 3
0.716	Intermediate Similarity	NPD4221	Approved
0.7108	Intermediate Similarity	NPD5329	Approved
0.7089	Intermediate Similarity	NPD3617	Approved
0.7059	Intermediate Similarity	NPD6672	Approved
0.7059	Intermediate Similarity	NPD5737	Approved
0.7051	Intermediate Similarity	NPD6117	Approved
0.7024	Intermediate Similarity	NPD7521	Approved
0.7024	Intermediate Similarity	NPD7334	Approved
0.7024	Intermediate Similarity	NPD7146	Approved
0.7024	Intermediate Similarity	NPD6684	Approved
0.7024	Intermediate Similarity	NPD6409	Approved
0.7024	Intermediate Similarity	NPD5330	Approved
0.7024	Intermediate Similarity	NPD6098	Approved
0.7013	Intermediate Similarity	NPD6113	Clinical (unspecified phase)
0.7011	Intermediate Similarity	NPD5284	Approved
0.7011	Intermediate Similarity	NPD5281	Approved
0.7	Intermediate Similarity	NPD6083	Phase 2
0.7	Intermediate Similarity	NPD7902	Approved
0.7	Intermediate Similarity	NPD6084	Phase 2
0.6988	Remote Similarity	NPD3133	Approved
0.6988	Remote Similarity	NPD3665	Phase 1
0.6988	Remote Similarity	NPD3666	Approved
0.6988	Remote Similarity	NPD4197	Approved
0.6977	Remote Similarity	NPD6904	Approved
0.6977	Remote Similarity	NPD6673	Approved
0.6977	Remote Similarity	NPD6080	Approved
0.6962	Remote Similarity	NPD6116	Phase 1
0.6889	Remote Similarity	NPD7614	Phase 1
0.6875	Remote Similarity	NPD6115	Approved
0.6875	Remote Similarity	NPD6697	Approved
0.6875	Remote Similarity	NPD6118	Approved
0.6875	Remote Similarity	NPD6114	Approved
0.686	Remote Similarity	NPD6903	Approved
0.686	Remote Similarity	NPD7513	Clinical (unspecified phase)
0.6849	Remote Similarity	NPD3171	Clinical (unspecified phase)
0.6824	Remote Similarity	NPD4519	Discontinued
0.6824	Remote Similarity	NPD3618	Phase 1
0.6824	Remote Similarity	NPD4690	Approved
0.6824	Remote Similarity	NPD4693	Phase 3
0.6824	Remote Similarity	NPD4689	Approved
0.6824	Remote Similarity	NPD4138	Approved
0.6824	Remote Similarity	NPD5205	Approved
0.6824	Remote Similarity	NPD4688	Approved
0.6824	Remote Similarity	NPD3574	Clinical (unspecified phase)
0.6824	Remote Similarity	NPD4623	Approved
0.6818	Remote Similarity	NPD6411	Approved
0.68	Remote Similarity	NPD5361	Clinical (unspecified phase)
0.68	Remote Similarity	NPD5360	Phase 3
0.6786	Remote Similarity	NPD3668	Phase 3
0.6782	Remote Similarity	NPD4753	Phase 2
0.6782	Remote Similarity	NPD5328	Approved
0.6778	Remote Similarity	NPD5695	Phase 3
0.6744	Remote Similarity	NPD3573	Approved
0.6739	Remote Similarity	NPD5696	Approved
0.6709	Remote Similarity	NPD3702	Approved
0.6667	Remote Similarity	NPD5208	Approved
0.6667	Remote Similarity	NPD7901	Clinical (unspecified phase)
0.6667	Remote Similarity	NPD7900	Approved
0.6667	Remote Similarity	NPD634	Phase 3
0.6667	Remote Similarity	NPD5784	Clinical (unspecified phase)
0.6629	Remote Similarity	NPD6079	Approved
0.6629	Remote Similarity	NPD6050	Approved
0.6629	Remote Similarity	NPD5693	Phase 1
0.6628	Remote Similarity	NPD5280	Approved
0.6628	Remote Similarity	NPD5279	Phase 3
0.6628	Remote Similarity	NPD4694	Approved
0.6628	Remote Similarity	NPD5690	Phase 2
0.6627	Remote Similarity	NPD4139	Approved
0.6627	Remote Similarity	NPD4692	Approved
0.6623	Remote Similarity	NPD4789	Approved
0.6623	Remote Similarity	NPD4245	Approved
0.6623	Remote Similarity	NPD4244	Approved
0.6622	Remote Similarity	NPD7341	Phase 2
0.6618	Remote Similarity	NPD4266	Approved
0.6618	Remote Similarity	NPD3729	Clinical (unspecified phase)
0.6618	Remote Similarity	NPD3194	Approved
0.6618	Remote Similarity	NPD615	Clinical (unspecified phase)
0.6618	Remote Similarity	NPD3196	Approved
0.6618	Remote Similarity	NPD3195	Phase 2
0.6593	Remote Similarity	NPD6356	Clinical (unspecified phase)
0.6591	Remote Similarity	NPD5764	Clinical (unspecified phase)
0.6591	Remote Similarity	NPD6101	Approved
0.6567	Remote Similarity	NPD3186	Phase 1
0.6559	Remote Similarity	NPD7638	Approved
0.6538	Remote Similarity	NPD4243	Approved
0.6538	Remote Similarity	NPD4809	Clinical (unspecified phase)
0.6538	Remote Similarity	NPD4808	Clinical (unspecified phase)
0.6538	Remote Similarity	NPD5777	Approved
0.6533	Remote Similarity	NPD7331	Phase 2
0.6517	Remote Similarity	NPD5692	Phase 3
0.65	Remote Similarity	NPD8039	Approved
0.6495	Remote Similarity	NPD6402	Approved
0.6495	Remote Similarity	NPD7128	Approved
0.6495	Remote Similarity	NPD5739	Approved
0.6495	Remote Similarity	NPD6675	Approved
0.6494	Remote Similarity	NPD3698	Phase 2
0.6494	Remote Similarity	NPD3700	Clinical (unspecified phase)
0.6494	Remote Similarity	NPD3699	Clinical (unspecified phase)
0.6494	Remote Similarity	NPD4137	Phase 3
0.6489	Remote Similarity	NPD7640	Approved
0.6489	Remote Similarity	NPD7639	Approved
0.6489	Remote Similarity	NPD6404	Discontinued
0.6471	Remote Similarity	NPD3172	Approved
0.6462	Remote Similarity	NPD622	Approved
0.6444	Remote Similarity	NPD5694	Approved
0.6429	Remote Similarity	NPD857	Phase 3
0.6413	Remote Similarity	NPD4629	Approved
0.6413	Remote Similarity	NPD5210	Approved
0.641	Remote Similarity	NPD4747	Approved
0.641	Remote Similarity	NPD4691	Approved
0.6386	Remote Similarity	NPD4195	Approved
0.6375	Remote Similarity	NPD4784	Approved
0.6375	Remote Similarity	NPD6926	Approved
0.6375	Remote Similarity	NPD4785	Approved
0.6375	Remote Similarity	NPD6924	Approved
0.6374	Remote Similarity	NPD5779	Approved
0.6374	Remote Similarity	NPD4202	Approved
0.6374	Remote Similarity	NPD5778	Approved
0.6364	Remote Similarity	NPD6881	Approved
0.6364	Remote Similarity	NPD6899	Approved
0.6364	Remote Similarity	NPD3621	Clinical (unspecified phase)
0.6364	Remote Similarity	NPD7320	Approved
0.6364	Remote Similarity	NPD6686	Approved
0.6344	Remote Similarity	NPD7732	Phase 3
0.6344	Remote Similarity	NPD5220	Clinical (unspecified phase)
0.6344	Remote Similarity	NPD4697	Phase 3
0.6344	Remote Similarity	NPD5222	Approved
0.6344	Remote Similarity	NPD5221	Approved
0.6333	Remote Similarity	NPD5207	Approved
0.6333	Remote Similarity	NPD4096	Approved
0.6329	Remote Similarity	NPD4758	Discontinued
0.631	Remote Similarity	NPD5368	Approved
0.631	Remote Similarity	NPD7525	Registered
0.6304	Remote Similarity	NPD6001	Approved
0.63	Remote Similarity	NPD6373	Approved
0.63	Remote Similarity	NPD6372	Approved
0.6296	Remote Similarity	NPD7339	Approved
0.6296	Remote Similarity	NPD6942	Approved
0.6279	Remote Similarity	NPD5362	Discontinued
0.6277	Remote Similarity	NPD5173	Approved
0.6277	Remote Similarity	NPD4755	Approved
0.6265	Remote Similarity	NPD5364	Discontinued
0.6264	Remote Similarity	NPD7637	Suspended
0.6263	Remote Similarity	NPD5701	Approved
0.6263	Remote Similarity	NPD5697	Approved
0.6238	Remote Similarity	NPD7290	Approved
0.6238	Remote Similarity	NPD7102	Approved
0.6238	Remote Similarity	NPD6883	Approved
0.6235	Remote Similarity	NPD5369	Approved
0.622	Remote Similarity	NPD3701	Clinical (unspecified phase)
0.622	Remote Similarity	NPD6933	Approved
0.6211	Remote Similarity	NPD4225	Approved
0.62	Remote Similarity	NPD6011	Approved
0.619	Remote Similarity	NPD387	Clinical (unspecified phase)
0.619	Remote Similarity	NPD7645	Phase 2
0.6176	Remote Similarity	NPD6650	Approved
0.6176	Remote Similarity	NPD6401	Clinical (unspecified phase)
0.6176	Remote Similarity	NPD8130	Phase 1
0.6176	Remote Similarity	NPD6869	Approved
0.6176	Remote Similarity	NPD6617	Approved
0.6176	Remote Similarity	NPD28	Approved
0.6176	Remote Similarity	NPD6649	Approved
0.6176	Remote Similarity	NPD6847	Approved
0.6176	Remote Similarity	NPD29	Approved
0.6173	Remote Similarity	NPD4058	Approved
0.6173	Remote Similarity	NPD5733	Approved
0.6164	Remote Similarity	NPD3198	Approved
0.6163	Remote Similarity	NPD6435	Approved
0.6163	Remote Similarity	NPD4270	Approved
0.6163	Remote Similarity	NPD4269	Approved
0.6146	Remote Similarity	NPD4700	Approved
0.6146	Remote Similarity	NPD5286	Approved
0.6146	Remote Similarity	NPD4696	Approved
0.6146	Remote Similarity	NPD5285	Approved
0.6139	Remote Similarity	NPD6014	Approved
0.6139	Remote Similarity	NPD6013	Approved
0.6139	Remote Similarity	NPD6012	Approved
0.6125	Remote Similarity	NPD5276	Approved
0.6122	Remote Similarity	NPD6052	Approved
0.6117	Remote Similarity	NPD8297	Approved
0.6117	Remote Similarity	NPD6882	Approved
0.6111	Remote Similarity	NPD4518	Approved
0.61	Remote Similarity	NPD6412	Phase 2
0.6098	Remote Similarity	NPD5275	Approved
0.6098	Remote Similarity	NPD4190	Phase 3

Structure

CID290445 OpenBabel06191716102D 24 25 0 0 1 0 0 0 0 0999 V2000 -3.4641 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 -0.8660 2.5000 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 1.5000 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 0.0000 2.0000 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 -1.7321 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 1 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 2 0 0 0 0 0 0 0 0 0 -1.7321 6.0000 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 -0.8660 1.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0000 -0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8660 6.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5981 6.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -1.7321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 -0.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 14 2 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 6 8 1 0 0 0 0 6 13 1 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 19 1 0 0 0 0 11 20 1 0 0 0 0 12 13 1 0 0 0 0 12 17 1 0 0 0 0 13 1 1 6 0 0 0 14 15 1 0 0 0 0 15 19 1 6 0 0 0 16 19 1 6 0 0 0 16 20 1 0 0 0 0 17 21 2 0 0 0 0 17 22 1 0 0 0 0 18 20 1 0 0 0 0 18 23 2 0 0 0 0 18 24 1 0 0 0 0 19 3 1 6 0 0 0 20 4 1 1 0 0 0 M END $$$$

External Identifiers

PubChem CID	38347252
ChEMBL	CHEMBL3781270
ZINC

Physicochemical Properties

Molecular Weight:	336.23
ALogP:	1.1491
MLogP:	3.22
XLogP:	5.459
# Rotatable Bonds:	11
Polar Surface Area:	74.6
# H-Bond Aceptor:	4
# H-Bond Donor:	2
# Rings:	2
# Heavy Atoms:	24

Download Data

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