NPASS Natural Product

Natural Product: NPC243688

Natural Product ID:	NPC243688
Common Name:	Ostruthin
IUPAC Name:	6-[(2E)-3,7-dimethylocta-2,6-dienyl]-7-hydroxychromen-2-one
Synonyms:	Ostruthin
Molecular Formula:	C19H22O3
Standard InCHIKey:	INBMTJJPUABOQJ-VGOFMYFVSA-N
Standard InCHI:	InChI=1S/C19H22O3/c1-13(2)5-4-6-14(3)7-8-15-11-16-9-10-19(21)22-18(16)12-17(15)20/h5,7,9-12,20H,4,6,8H2,1-3H3/b14-7+
Canonical SMILES:	C/C(=CCc1cc2ccc(=O)oc2cc1O)/CCC=C(C)C
First Find Year:
Max Developmental Stage:
Synthetic Gene Cluster:	;

Species Source

Organism ID	Organism Name	Taxonomy Level	Family	SuperKingdom	Isolation Part	Reference
NPO9078	Piper hancei	Species	Piperaceae	Eukaryota		UNPD*
NPO10004	Callitropsis nootkatensis	Species	Cupressaceae	Eukaryota		UNPD*
NPO6547	Podocarpus henckelii	Species	Podocarpaceae	Eukaryota		UNPD*
NPO2406	Thermus thermophilus	Species	Thermaceae	Bacteria		UNPD*
NPO13736	Cnidii fructus	NA	NA	NA		TCMSP*
NPO15394	Angelica decursiva	Species	Apiaceae	Eukaryota		TM-MC*
NPO8119	Ambrosia polystachya	Species	Asteraceae	Eukaryota		UNPD*
NPO11844	Siphula applanata	Species	Icmadophilaceae	Eukaryota		UNPD*
NPO6125	Peucedanum ostruthium	Species	Apiaceae	Eukaryota		TCM_Taiwan*
NPO6125	Peucedanum ostruthium	Species	Apiaceae	Eukaryota	Root	PMID[21627108]
NPO6125	Peucedanum ostruthium	Species	Apiaceae	Eukaryota	Rhizomes	PMID[21627108]
NPO8240	Opuntia vulgaris	Species	Cactaceae	Eukaryota		UNPD*
NPO19815	Earias insulana	Species	Nolidae	Eukaryota		UNPD*
NPO13583	Daphne cannabina	Species	Thymelaeaceae	Eukaryota		UNPD*
NPO2852	Cirsium canum	Species	Asteraceae	Eukaryota		UNPD*
NPO6125	Peucedanum ostruthium	Species	Apiaceae	Eukaryota		UNPD*
NPO13877	Wedelia forsteriana	Species	Asteraceae	Eukaryota		UNPD*
NPO12850	Leiothrix flavescens	Species	Eriocaulaceae	Eukaryota		UNPD*
NPO9980	Salvia lasiantha	Species	Lamiaceae	Eukaryota		UNPD*

Biological Activity

Activity Type	# Activity
IC50	2
Others	1

Activity Type	# Activity
Others	3

Target ID	Target Type	Target Name	Activity Type	Activity Relation	Value	Unit	Reference
NPT2	Others	Unspecified	IC50	=	17000	nM	21627108
NPT2	Others	Unspecified	Activity	=	92	%	21627108
NPT2	Others	Unspecified	IC50	=	11000	nM	21627108

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 NPC243688 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	210
0.1-0.2	1181
0.2-0.3	2719
0.3-0.4	7063
0.4-0.5	6094
0.5-0.6	2636
0.6-0.7	5470
0.7-0.8	4731
0.8-0.85	546
0.85-0.9	182
0.9-0.95	53
0.95-1	4

Similarity Score	Similarity Level	Natural Product ID
0.9833	High Similarity	NPC244495
0.9833	High Similarity	NPC93219
0.9597	High Similarity	NPC32463
0.95	High Similarity	NPC52247
0.9435	High Similarity	NPC185066
0.9426	High Similarity	NPC201667
0.9426	High Similarity	NPC73413
0.9421	High Similarity	NPC248429
0.9421	High Similarity	NPC96286
0.937	High Similarity	NPC31849
0.9344	High Similarity	NPC109675
0.9344	High Similarity	NPC472518
0.9344	High Similarity	NPC273772
0.9339	High Similarity	NPC187868
0.9333	High Similarity	NPC247553
0.9297	High Similarity	NPC131950
0.9291	High Similarity	NPC194277
0.9268	High Similarity	NPC291899
0.9268	High Similarity	NPC27671
0.9256	High Similarity	NPC302107
0.9219	High Similarity	NPC163557
0.9206	High Similarity	NPC474289
0.92	High Similarity	NPC224774
0.92	High Similarity	NPC258567
0.92	High Similarity	NPC121740
0.9194	High Similarity	NPC471827
0.9194	High Similarity	NPC168259
0.9194	High Similarity	NPC471828
0.9154	High Similarity	NPC38099
0.9154	High Similarity	NPC26954
0.9147	High Similarity	NPC50896
0.9147	High Similarity	NPC326600
0.9147	High Similarity	NPC204353
0.9127	High Similarity	NPC472519
0.9127	High Similarity	NPC469453
0.9113	High Similarity	NPC111347
0.9106	High Similarity	NPC13007
0.9106	High Similarity	NPC257188
0.9098	High Similarity	NPC235190
0.9098	High Similarity	NPC180006
0.9062	High Similarity	NPC66430
0.9062	High Similarity	NPC37009
0.9055	High Similarity	NPC168710
0.904	High Similarity	NPC232692
0.904	High Similarity	NPC202594
0.9024	High Similarity	NPC144418
0.9023	High Similarity	NPC310370
0.9023	High Similarity	NPC183642
0.9015	High Similarity	NPC151946
0.9015	High Similarity	NPC279573
0.9008	High Similarity	NPC265547
0.9008	High Similarity	NPC152306
0.9008	High Similarity	NPC96705
0.9	High Similarity	NPC180716
0.9	High Similarity	NPC224475
0.9	High Similarity	NPC213173
0.9	High Similarity	NPC62366
0.8984	High Similarity	NPC113098
0.8976	High Similarity	NPC157212
0.8968	High Similarity	NPC234109
0.8968	High Similarity	NPC471826
0.8968	High Similarity	NPC188327
0.8943	High Similarity	NPC163200
0.8939	High Similarity	NPC155963
0.8934	High Similarity	NPC281356
0.8934	High Similarity	NPC298796
0.8931	High Similarity	NPC61499
0.8931	High Similarity	NPC472525
0.8926	High Similarity	NPC183154
0.8926	High Similarity	NPC263754
0.8923	High Similarity	NPC83535
0.8915	High Similarity	NPC29734
0.8915	High Similarity	NPC272650
0.8915	High Similarity	NPC267336
0.8881	High Similarity	NPC170812
0.8881	High Similarity	NPC195357
0.8881	High Similarity	NPC152771
0.888	High Similarity	NPC315807
0.888	High Similarity	NPC50720
0.888	High Similarity	NPC173350
0.888	High Similarity	NPC154176
0.888	High Similarity	NPC290605
0.8872	High Similarity	NPC211110
0.8872	High Similarity	NPC332594
0.8872	High Similarity	NPC221046
0.8855	High Similarity	NPC98179
0.8855	High Similarity	NPC253574
0.8846	High Similarity	NPC14248
0.8843	High Similarity	NPC128633
0.8837	High Similarity	NPC80170
0.8828	High Similarity	NPC199204
0.8824	High Similarity	NPC471824
0.8806	High Similarity	NPC312881
0.8806	High Similarity	NPC71903
0.88	High Similarity	NPC150214
0.8797	High Similarity	NPC153818
0.8797	High Similarity	NPC294456
0.8797	High Similarity	NPC225106
0.8797	High Similarity	NPC212124
0.8797	High Similarity	NPC184861
0.8797	High Similarity	NPC281014
0.8797	High Similarity	NPC232246
0.8788	High Similarity	NPC33986
0.8779	High Similarity	NPC2363
0.8779	High Similarity	NPC291551
0.8779	High Similarity	NPC167111
0.8779	High Similarity	NPC469449
0.8779	High Similarity	NPC318400
0.8779	High Similarity	NPC471910
0.8779	High Similarity	NPC241165
0.8779	High Similarity	NPC222036
0.8779	High Similarity	NPC142563
0.8779	High Similarity	NPC133956
0.8779	High Similarity	NPC296624
0.8779	High Similarity	NPC7526
0.8779	High Similarity	NPC205797
0.8779	High Similarity	NPC207002
0.8779	High Similarity	NPC1220
0.8779	High Similarity	NPC141822
0.8769	High Similarity	NPC250727
0.8759	High Similarity	NPC295696
0.8759	High Similarity	NPC101255
0.8759	High Similarity	NPC71739
0.8759	High Similarity	NPC475719
0.8759	High Similarity	NPC43716
0.8741	High Similarity	NPC287286
0.8731	High Similarity	NPC35501
0.8731	High Similarity	NPC278600
0.8731	High Similarity	NPC37428
0.8731	High Similarity	NPC327612
0.8731	High Similarity	NPC144512
0.8731	High Similarity	NPC137262
0.8731	High Similarity	NPC73078
0.8731	High Similarity	NPC47040
0.8731	High Similarity	NPC148738
0.8731	High Similarity	NPC319870
0.873	High Similarity	NPC143725
0.8722	High Similarity	NPC188380
0.8722	High Similarity	NPC224543
0.8722	High Similarity	NPC78746
0.8712	High Similarity	NPC18804
0.8712	High Similarity	NPC164269
0.8712	High Similarity	NPC260265
0.8712	High Similarity	NPC127888
0.8712	High Similarity	NPC166672
0.8712	High Similarity	NPC307412
0.8712	High Similarity	NPC100986
0.8712	High Similarity	NPC319859
0.8712	High Similarity	NPC55149
0.8712	High Similarity	NPC84894
0.8712	High Similarity	NPC198381
0.8712	High Similarity	NPC267412
0.8712	High Similarity	NPC195343
0.8712	High Similarity	NPC47163
0.8712	High Similarity	NPC287182
0.8712	High Similarity	NPC74655
0.8702	High Similarity	NPC19157
0.8702	High Similarity	NPC281558
0.8699	High Similarity	NPC131118
0.8689	High Similarity	NPC33717
0.8682	High Similarity	NPC219923
0.8672	High Similarity	NPC163248
0.8661	High Similarity	NPC197351
0.8661	High Similarity	NPC86502
0.8661	High Similarity	NPC140521
0.8661	High Similarity	NPC134195
0.8661	High Similarity	NPC159132
0.8661	High Similarity	NPC106914
0.8661	High Similarity	NPC246648
0.8657	High Similarity	NPC474886
0.8657	High Similarity	NPC131198
0.8657	High Similarity	NPC471069
0.8657	High Similarity	NPC471068
0.8647	High Similarity	NPC281241
0.8647	High Similarity	NPC471625
0.8647	High Similarity	NPC471909
0.8647	High Similarity	NPC86892
0.8647	High Similarity	NPC472424
0.8647	High Similarity	NPC469675
0.864	High Similarity	NPC319378
0.8636	High Similarity	NPC469965
0.8636	High Similarity	NPC55147
0.8636	High Similarity	NPC54503
0.8623	High Similarity	NPC469701
0.8613	High Similarity	NPC229916
0.8605	High Similarity	NPC149796
0.8605	High Similarity	NPC289316
0.8603	High Similarity	NPC155552
0.8603	High Similarity	NPC138149
0.8594	High Similarity	NPC249836
0.8594	High Similarity	NPC102540
0.8594	High Similarity	NPC17809
0.8594	High Similarity	NPC103420
0.8594	High Similarity	NPC285040
0.8594	High Similarity	NPC188022
0.8593	High Similarity	NPC471070
0.8593	High Similarity	NPC471071
0.8593	High Similarity	NPC471072
0.8582	High Similarity	NPC160727
0.8582	High Similarity	NPC149320

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC243688 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	234
0.1-0.2	910
0.2-0.3	1447
0.3-0.4	2569
0.4-0.5	1975
0.5-0.6	1221
0.6-0.7	615
0.7-0.8	169
0.8-0.85	18
0.85-0.9	2
0.9-0.95	0
0.95-1	1

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.95	High Similarity	NPD422	Phase 1
0.8779	High Similarity	NPD5123	Clinical (unspecified phase)
0.8779	High Similarity	NPD5124	Phase 1
0.84	Intermediate Similarity	NPD1548	Phase 1
0.8308	Intermediate Similarity	NPD2797	Approved
0.8273	Intermediate Similarity	NPD3750	Approved
0.8271	Intermediate Similarity	NPD4907	Clinical (unspecified phase)
0.8271	Intermediate Similarity	NPD6859	Clinical (unspecified phase)
0.8258	Intermediate Similarity	NPD1008	Clinical (unspecified phase)
0.8143	Intermediate Similarity	NPD6398	Clinical (unspecified phase)
0.814	Intermediate Similarity	NPD1610	Phase 2
0.8134	Intermediate Similarity	NPD1296	Phase 2
0.812	Intermediate Similarity	NPD4908	Phase 1
0.8092	Intermediate Similarity	NPD3225	Approved
0.8083	Intermediate Similarity	NPD9697	Approved
0.8071	Intermediate Similarity	NPD1652	Phase 2
0.806	Intermediate Similarity	NPD4625	Phase 3
0.8042	Intermediate Similarity	NPD4378	Clinical (unspecified phase)
0.8042	Intermediate Similarity	NPD7410	Clinical (unspecified phase)
0.8015	Intermediate Similarity	NPD4749	Approved
0.8	Intermediate Similarity	NPD3268	Approved
0.7984	Intermediate Similarity	NPD4626	Approved
0.7959	Intermediate Similarity	NPD7411	Suspended
0.7943	Intermediate Similarity	NPD7421	Clinical (unspecified phase)
0.7943	Intermediate Similarity	NPD1243	Approved
0.792	Intermediate Similarity	NPD5535	Approved
0.7914	Intermediate Similarity	NPD3748	Approved
0.7883	Intermediate Similarity	NPD1240	Approved
0.7867	Intermediate Similarity	NPD7768	Phase 2
0.7833	Intermediate Similarity	NPD940	Approved
0.7833	Intermediate Similarity	NPD846	Approved
0.7815	Intermediate Similarity	NPD7075	Discontinued
0.7803	Intermediate Similarity	NPD9717	Approved
0.7785	Intermediate Similarity	NPD6801	Discontinued
0.777	Intermediate Similarity	NPD1607	Approved
0.7769	Intermediate Similarity	NPD5691	Approved
0.7761	Intermediate Similarity	NPD1203	Approved
0.7755	Intermediate Similarity	NPD1653	Approved
0.7754	Intermediate Similarity	NPD4060	Phase 1
0.7746	Intermediate Similarity	NPD970	Clinical (unspecified phase)
0.7746	Intermediate Similarity	NPD1549	Phase 2
0.7737	Intermediate Similarity	NPD6410	Clinical (unspecified phase)
0.7733	Intermediate Similarity	NPD7819	Suspended
0.7733	Intermediate Similarity	NPD7096	Clinical (unspecified phase)
0.773	Intermediate Similarity	NPD2935	Discontinued
0.773	Intermediate Similarity	NPD1551	Phase 2
0.773	Intermediate Similarity	NPD2796	Approved
0.7724	Intermediate Similarity	NPD3134	Approved
0.7724	Intermediate Similarity	NPD6799	Approved
0.7721	Intermediate Similarity	NPD1529	Clinical (unspecified phase)
0.7676	Intermediate Similarity	NPD1550	Clinical (unspecified phase)
0.7676	Intermediate Similarity	NPD1552	Clinical (unspecified phase)
0.766	Intermediate Similarity	NPD2799	Discontinued
0.766	Intermediate Similarity	NPD1510	Phase 2
0.766	Intermediate Similarity	NPD4308	Phase 3
0.7655	Intermediate Similarity	NPD643	Clinical (unspecified phase)
0.7652	Intermediate Similarity	NPD3496	Discontinued
0.7647	Intermediate Similarity	NPD1530	Clinical (unspecified phase)
0.7639	Intermediate Similarity	NPD1878	Clinical (unspecified phase)
0.763	Intermediate Similarity	NPD3266	Approved
0.763	Intermediate Similarity	NPD3267	Approved
0.76	Intermediate Similarity	NPD7615	Clinical (unspecified phase)
0.7597	Intermediate Similarity	NPD6671	Approved
0.7568	Intermediate Similarity	NPD920	Approved
0.7551	Intermediate Similarity	NPD642	Clinical (unspecified phase)
0.7535	Intermediate Similarity	NPD7033	Discontinued
0.7534	Intermediate Similarity	NPD6667	Approved
0.7534	Intermediate Similarity	NPD6666	Approved
0.7533	Intermediate Similarity	NPD6599	Discontinued
0.7533	Intermediate Similarity	NPD4380	Phase 2
0.752	Intermediate Similarity	NPD1358	Approved
0.7516	Intermediate Similarity	NPD7852	Clinical (unspecified phase)
0.75	Intermediate Similarity	NPD1612	Clinical (unspecified phase)
0.75	Intermediate Similarity	NPD2393	Clinical (unspecified phase)
0.75	Intermediate Similarity	NPD1613	Approved
0.7483	Intermediate Similarity	NPD6100	Approved
0.7483	Intermediate Similarity	NPD6099	Approved
0.7482	Intermediate Similarity	NPD2313	Discontinued
0.7468	Intermediate Similarity	NPD3749	Approved
0.7464	Intermediate Similarity	NPD6832	Phase 2
0.746	Intermediate Similarity	NPD2684	Approved
0.7451	Intermediate Similarity	NPD8443	Clinical (unspecified phase)
0.745	Intermediate Similarity	NPD5403	Approved
0.7448	Intermediate Similarity	NPD2800	Approved
0.7447	Intermediate Similarity	NPD4340	Discontinued
0.7445	Intermediate Similarity	NPD6917	Clinical (unspecified phase)
0.7444	Intermediate Similarity	NPD1778	Approved
0.7432	Intermediate Similarity	NPD2534	Approved
0.7432	Intermediate Similarity	NPD2533	Approved
0.7432	Intermediate Similarity	NPD2532	Approved
0.7424	Intermediate Similarity	NPD9545	Approved
0.741	Intermediate Similarity	NPD3027	Phase 3
0.7407	Intermediate Similarity	NPD1608	Approved
0.7403	Intermediate Similarity	NPD4868	Clinical (unspecified phase)
0.7397	Intermediate Similarity	NPD4628	Phase 3
0.7391	Intermediate Similarity	NPD2861	Phase 2
0.7376	Intermediate Similarity	NPD4307	Phase 2
0.7375	Intermediate Similarity	NPD5844	Phase 1
0.7365	Intermediate Similarity	NPD7212	Phase 2
0.7365	Intermediate Similarity	NPD1511	Approved
0.7365	Intermediate Similarity	NPD7213	Phase 3
0.7357	Intermediate Similarity	NPD6798	Discontinued
0.7355	Intermediate Similarity	NPD4381	Clinical (unspecified phase)
0.7338	Intermediate Similarity	NPD4288	Approved
0.7333	Intermediate Similarity	NPD1091	Approved
0.7333	Intermediate Similarity	NPD1535	Discovery
0.7333	Intermediate Similarity	NPD1611	Approved
0.7315	Intermediate Similarity	NPD7447	Phase 1
0.7315	Intermediate Similarity	NPD5401	Approved
0.731	Intermediate Similarity	NPD6002	Phase 3
0.731	Intermediate Similarity	NPD6004	Phase 3
0.731	Intermediate Similarity	NPD6006	Clinical (unspecified phase)
0.731	Intermediate Similarity	NPD6003	Clinical (unspecified phase)
0.731	Intermediate Similarity	NPD6005	Phase 3
0.7308	Intermediate Similarity	NPD1241	Discontinued
0.7299	Intermediate Similarity	NPD6696	Suspended
0.7299	Intermediate Similarity	NPD8651	Approved
0.7293	Intermediate Similarity	NPD1894	Discontinued
0.7284	Intermediate Similarity	NPD5953	Discontinued
0.7279	Intermediate Similarity	NPD1481	Phase 2
0.7273	Intermediate Similarity	NPD2801	Approved
0.7273	Intermediate Similarity	NPD9493	Approved
0.7273	Intermediate Similarity	NPD6651	Approved
0.7267	Intermediate Similarity	NPD7286	Phase 2
0.7267	Intermediate Similarity	NPD1512	Approved
0.7266	Intermediate Similarity	NPD4750	Phase 3
0.726	Intermediate Similarity	NPD2424	Discontinued
0.7259	Intermediate Similarity	NPD3847	Discontinued
0.7254	Intermediate Similarity	NPD4140	Approved
0.7244	Intermediate Similarity	NPD290	Approved
0.7241	Intermediate Similarity	NPD4476	Approved
0.7241	Intermediate Similarity	NPD4477	Approved
0.7237	Intermediate Similarity	NPD3226	Approved
0.7237	Intermediate Similarity	NPD8158	Clinical (unspecified phase)
0.7234	Intermediate Similarity	NPD411	Approved
0.7231	Intermediate Similarity	NPD7843	Approved
0.7226	Intermediate Similarity	NPD3817	Phase 2
0.7226	Intermediate Similarity	NPD3600	Clinical (unspecified phase)
0.7208	Intermediate Similarity	NPD1934	Approved
0.7203	Intermediate Similarity	NPD447	Suspended
0.7203	Intermediate Similarity	NPD6355	Discontinued
0.7197	Intermediate Similarity	NPD919	Approved
0.7194	Intermediate Similarity	NPD3690	Phase 2
0.7194	Intermediate Similarity	NPD3691	Phase 2
0.7185	Intermediate Similarity	NPD17	Approved
0.7179	Intermediate Similarity	NPD3882	Suspended
0.717	Intermediate Similarity	NPD6232	Discontinued
0.7165	Intermediate Similarity	NPD968	Approved
0.7163	Intermediate Similarity	NPD7095	Approved
0.7162	Intermediate Similarity	NPD7003	Approved
0.7161	Intermediate Similarity	NPD1465	Phase 2
0.716	Intermediate Similarity	NPD7804	Clinical (unspecified phase)
0.7134	Intermediate Similarity	NPD6559	Discontinued
0.7133	Intermediate Similarity	NPD7837	Clinical (unspecified phase)
0.7131	Intermediate Similarity	NPD2860	Approved
0.7131	Intermediate Similarity	NPD2859	Approved
0.7115	Intermediate Similarity	NPD5402	Approved
0.7113	Intermediate Similarity	NPD3764	Approved
0.7103	Intermediate Similarity	NPD7097	Phase 1
0.7101	Intermediate Similarity	NPD6583	Phase 3
0.7101	Intermediate Similarity	NPD6582	Phase 2
0.7099	Intermediate Similarity	NPD821	Approved
0.7092	Intermediate Similarity	NPD2614	Approved
0.7091	Intermediate Similarity	NPD7549	Discontinued
0.7083	Intermediate Similarity	NPD230	Phase 1
0.7075	Intermediate Similarity	NPD5763	Approved
0.7075	Intermediate Similarity	NPD2343	Clinical (unspecified phase)
0.7075	Intermediate Similarity	NPD5762	Approved
0.7075	Intermediate Similarity	NPD2344	Approved
0.7075	Intermediate Similarity	NPD2346	Discontinued
0.7071	Intermediate Similarity	NPD2798	Approved
0.7071	Intermediate Similarity	NPD1019	Discontinued
0.7068	Intermediate Similarity	NPD7157	Approved
0.7063	Intermediate Similarity	NPD7229	Phase 3
0.7063	Intermediate Similarity	NPD6233	Phase 2
0.705	Intermediate Similarity	NPD1283	Approved
0.7049	Intermediate Similarity	NPD2933	Approved
0.7049	Intermediate Similarity	NPD2934	Approved
0.7042	Intermediate Similarity	NPD5163	Phase 2
0.704	Intermediate Similarity	NPD1242	Phase 1
0.7039	Intermediate Similarity	NPD7314	Clinical (unspecified phase)
0.7039	Intermediate Similarity	NPD5049	Phase 3
0.7037	Intermediate Similarity	NPD7473	Discontinued
0.7025	Intermediate Similarity	NPD6971	Discontinued
0.7021	Intermediate Similarity	NPD3018	Phase 2
0.7013	Intermediate Similarity	NPD5808	Clinical (unspecified phase)
0.7007	Intermediate Similarity	NPD2862	Discontinued
0.7	Intermediate Similarity	NPD6959	Discontinued
0.7	Intermediate Similarity	NPD987	Approved
0.7	Intermediate Similarity	NPD1164	Approved
0.6994	Remote Similarity	NPD3818	Discontinued
0.6993	Remote Similarity	NPD1048	Approved
0.6992	Remote Similarity	NPD1809	Phase 2
0.698	Remote Similarity	NPD5698	Clinical (unspecified phase)
0.6978	Remote Similarity	NPD4379	Clinical (unspecified phase)
0.6974	Remote Similarity	NPD7004	Clinical (unspecified phase)
0.6968	Remote Similarity	NPD6502	Phase 2
0.6967	Remote Similarity	NPD845	Approved
0.6966	Remote Similarity	NPD1899	Clinical (unspecified phase)
0.6963	Remote Similarity	NPD7644	Approved

Structure

CID243688 OpenBabel06191716042D 22 23 0 0 0 0 0 0 0 0999 V2000 -5.1962 -6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3301 -7.5000 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 -3.4641 -5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4641 -6.0000 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 -3.4641 -3.0000 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 0.0000 -2.0000 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 -1.7321 -2.0000 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 -4.3301 -6.5000 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 -1.5000 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 -2.5981 -0.5000 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 0.8660 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4641 -0.0000 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 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 13 1 0 0 0 0 3 14 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 5 13 2 0 0 0 0 6 14 1 0 0 0 0 7 8 1 0 0 0 0 7 14 2 0 0 0 0 8 15 1 0 0 0 0 9 10 2 0 0 0 0 9 16 1 0 0 0 0 10 19 1 0 0 0 0 11 15 2 0 0 0 0 11 16 1 0 0 0 0 12 17 2 0 0 0 0 12 18 1 0 0 0 0 15 17 1 0 0 0 0 16 18 2 0 0 0 0 17 20 1 0 0 0 0 18 22 1 0 0 0 0 19 21 2 0 0 0 0 19 22 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	5281420
ChEMBL	CHEMBL1812645
ZINC

Physicochemical Properties

Molecular Weight:	298.16
ALogP:	2.9193
MLogP:	3.22
XLogP:	4.824
# Rotatable Bonds:	9
Polar Surface Area:	46.53
# H-Bond Aceptor:	1
# H-Bond Donor:	1
# Rings:	2
# Heavy Atoms:	22

Download Data

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