NPASS Natural Product

Natural Product: NPC197832

Natural Product ID:	NPC197832
Common Name:	Interfungin B
IUPAC Name:	6-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-3-[(Z)-1-(3,4-dihydroxyphenyl)-3-oxobut-1-en-2-yl]-4-hydroxypyran-2-one
Synonyms:
Molecular Formula:	C23H18O8
Standard InCHIKey:	DLJCBBHVLOHCCV-DVTHBBLZSA-N
Standard InCHI:	InChI=1S/C23H18O8/c1-12(24)16(8-14-4-7-18(26)20(28)10-14)22-21(29)11-15(31-23(22)30)5-2-13-3-6-17(25)19(27)9-13/h2-11,25-29H,1H3/b5-2+,16-8+
Canonical SMILES:	CC(=O)/C(=Cc1ccc(c(c1)O)O)/c1c(O)cc(oc1=O)/C=C/c1ccc(c(c1)O)O
First Find Year:
Max Developmental Stage:
Synthetic Gene Cluster:	;

Species Source

Organism ID	Organism Name	Taxonomy Level	Family	SuperKingdom	Reference
NPO33400	Inonotus	Genus	Hymenochaetaceae	Eukaryota	PMID[17387019]
NPO32552	Phellinus	Genus	Hymenochaetaceae	Eukaryota	PMID[17387019]
NPO32484	phellinus baumii	Species	Hymenochaetaceae	Eukaryota	PMID[21531558]

Biological Activity

Activity Type	# Activity
IC50	4

Activity Type	# Activity
Others	4

Target ID	Target Type	Target Name	Activity Type	Activity Relation	Value	Unit	Reference
NPT2	Others	Unspecified	IC50	=	11100	nM	18955522
NPT1	Others	Radical scavenging activity	IC50	=	2500	nM	18955522
NPT2	Others	Unspecified	IC50	=	1800	nM	PubChem BioAssay data set
NPT2	Others	Unspecified	IC50	=	71190	nM	17958396

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 NPC197832 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	193
0.1-0.2	1018
0.2-0.3	2376
0.3-0.4	5690
0.4-0.5	7689
0.5-0.6	3028
0.6-0.7	7853
0.7-0.8	2804
0.8-0.85	185
0.85-0.9	45
0.9-0.95	4
0.95-1	4

Similarity Score	Similarity Level	Natural Product ID
0.9667	High Similarity	NPC67951
0.9664	High Similarity	NPC306100
0.9664	High Similarity	NPC285345
0.9587	High Similarity	NPC118584
0.92	High Similarity	NPC477300
0.912	High Similarity	NPC46192
0.9048	High Similarity	NPC64111
0.9048	High Similarity	NPC208536
0.8976	High Similarity	NPC285361
0.8968	High Similarity	NPC167463
0.8923	High Similarity	NPC311742
0.8814	High Similarity	NPC131530
0.878	High Similarity	NPC470849
0.878	High Similarity	NPC470848
0.8779	High Similarity	NPC477301
0.877	High Similarity	NPC263386
0.877	High Similarity	NPC141791
0.8689	High Similarity	NPC275519
0.8682	High Similarity	NPC32626
0.8682	High Similarity	NPC237506
0.8682	High Similarity	NPC217052
0.8682	High Similarity	NPC329344
0.8678	High Similarity	NPC281277
0.8667	High Similarity	NPC328593
0.8667	High Similarity	NPC261453
0.8667	High Similarity	NPC33749
0.8661	High Similarity	NPC276014
0.8655	High Similarity	NPC51698
0.8651	High Similarity	NPC246704
0.8618	High Similarity	NPC241634
0.8603	High Similarity	NPC285550
0.8595	High Similarity	NPC474967
0.8595	High Similarity	NPC233669
0.8583	High Similarity	NPC289459
0.8583	High Similarity	NPC95381
0.8571	High Similarity	NPC212541
0.8571	High Similarity	NPC106659
0.8571	High Similarity	NPC160900
0.8571	High Similarity	NPC18984
0.8571	High Similarity	NPC229084
0.8571	High Similarity	NPC226250
0.856	High Similarity	NPC147654
0.854	High Similarity	NPC183824
0.8537	High Similarity	NPC203124
0.8537	High Similarity	NPC309434
0.8527	High Similarity	NPC110313
0.8525	High Similarity	NPC277394
0.8525	High Similarity	NPC61062
0.8525	High Similarity	NPC299252
0.8519	High Similarity	NPC191280
0.8516	High Similarity	NPC213552
0.8516	High Similarity	NPC120225
0.8504	High Similarity	NPC288945
0.8485	Intermediate Similarity	NPC168799
0.8485	Intermediate Similarity	NPC155209
0.848	Intermediate Similarity	NPC269843
0.848	Intermediate Similarity	NPC14007
0.848	Intermediate Similarity	NPC60962
0.848	Intermediate Similarity	NPC109083
0.848	Intermediate Similarity	NPC189844
0.848	Intermediate Similarity	NPC224814
0.8462	Intermediate Similarity	NPC83062
0.845	Intermediate Similarity	NPC276466
0.845	Intermediate Similarity	NPC123722
0.845	Intermediate Similarity	NPC5018
0.845	Intermediate Similarity	NPC123228
0.845	Intermediate Similarity	NPC151167
0.8433	Intermediate Similarity	NPC90431
0.8421	Intermediate Similarity	NPC106406
0.8417	Intermediate Similarity	NPC297657
0.8409	Intermediate Similarity	NPC61
0.8409	Intermediate Similarity	NPC18074
0.8409	Intermediate Similarity	NPC5419
0.8409	Intermediate Similarity	NPC25581
0.84	Intermediate Similarity	NPC2058
0.8372	Intermediate Similarity	NPC179777
0.8372	Intermediate Similarity	NPC303680
0.8372	Intermediate Similarity	NPC84076
0.8372	Intermediate Similarity	NPC90128
0.837	Intermediate Similarity	NPC67349
0.837	Intermediate Similarity	NPC279676
0.8361	Intermediate Similarity	NPC217472
0.8346	Intermediate Similarity	NPC286573
0.8333	Intermediate Similarity	NPC158949
0.8333	Intermediate Similarity	NPC198388
0.8333	Intermediate Similarity	NPC318799
0.8333	Intermediate Similarity	NPC471877
0.8333	Intermediate Similarity	NPC204466
0.8321	Intermediate Similarity	NPC9218
0.8321	Intermediate Similarity	NPC304622
0.8321	Intermediate Similarity	NPC94810
0.832	Intermediate Similarity	NPC70084
0.8309	Intermediate Similarity	NPC284409
0.8306	Intermediate Similarity	NPC145023
0.8306	Intermediate Similarity	NPC200988
0.8306	Intermediate Similarity	NPC175799
0.8306	Intermediate Similarity	NPC65791
0.8306	Intermediate Similarity	NPC610
0.8305	Intermediate Similarity	NPC294902
0.8305	Intermediate Similarity	NPC1075
0.8305	Intermediate Similarity	NPC1786
0.8298	Intermediate Similarity	NPC1580
0.8295	Intermediate Similarity	NPC132921
0.8268	Intermediate Similarity	NPC472271
0.8268	Intermediate Similarity	NPC70752
0.8261	Intermediate Similarity	NPC91546
0.8254	Intermediate Similarity	NPC202474
0.8248	Intermediate Similarity	NPC289690
0.8248	Intermediate Similarity	NPC288452
0.8248	Intermediate Similarity	NPC471875
0.8248	Intermediate Similarity	NPC179505
0.8248	Intermediate Similarity	NPC156709
0.8244	Intermediate Similarity	NPC478215
0.824	Intermediate Similarity	NPC137537
0.824	Intermediate Similarity	NPC272471
0.824	Intermediate Similarity	NPC86198
0.824	Intermediate Similarity	NPC70744
0.824	Intermediate Similarity	NPC164706
0.824	Intermediate Similarity	NPC107588
0.8235	Intermediate Similarity	NPC471152
0.8231	Intermediate Similarity	NPC251407
0.8231	Intermediate Similarity	NPC475695
0.8231	Intermediate Similarity	NPC168653
0.8231	Intermediate Similarity	NPC147192
0.8222	Intermediate Similarity	NPC476870
0.8217	Intermediate Similarity	NPC20443
0.8217	Intermediate Similarity	NPC146886
0.8217	Intermediate Similarity	NPC60517
0.8214	Intermediate Similarity	NPC53884
0.8214	Intermediate Similarity	NPC258671
0.8209	Intermediate Similarity	NPC475468
0.8201	Intermediate Similarity	NPC277315
0.8201	Intermediate Similarity	NPC43158
0.8201	Intermediate Similarity	NPC472016
0.8201	Intermediate Similarity	NPC258469
0.8201	Intermediate Similarity	NPC192831
0.8188	Intermediate Similarity	NPC290664
0.8188	Intermediate Similarity	NPC477279
0.8182	Intermediate Similarity	NPC241354
0.8182	Intermediate Similarity	NPC32197
0.8175	Intermediate Similarity	NPC109371
0.8175	Intermediate Similarity	NPC470215
0.8175	Intermediate Similarity	NPC470214
0.8162	Intermediate Similarity	NPC120852
0.816	Intermediate Similarity	NPC280001
0.816	Intermediate Similarity	NPC278652
0.8154	Intermediate Similarity	NPC280767
0.8154	Intermediate Similarity	NPC257589
0.8154	Intermediate Similarity	NPC53305
0.8148	Intermediate Similarity	NPC471110
0.8148	Intermediate Similarity	NPC4982
0.8148	Intermediate Similarity	NPC135127
0.8148	Intermediate Similarity	NPC300776
0.8148	Intermediate Similarity	NPC68779
0.8148	Intermediate Similarity	NPC5310
0.8148	Intermediate Similarity	NPC176814
0.8143	Intermediate Similarity	NPC304956
0.814	Intermediate Similarity	NPC242372
0.814	Intermediate Similarity	NPC257976
0.814	Intermediate Similarity	NPC4181
0.814	Intermediate Similarity	NPC164778
0.8136	Intermediate Similarity	NPC79672
0.8136	Intermediate Similarity	NPC52087
0.813	Intermediate Similarity	NPC148969
0.8129	Intermediate Similarity	NPC206095
0.8129	Intermediate Similarity	NPC13818
0.8129	Intermediate Similarity	NPC477278
0.8129	Intermediate Similarity	NPC224389
0.8129	Intermediate Similarity	NPC477335
0.8129	Intermediate Similarity	NPC35702
0.8129	Intermediate Similarity	NPC471027
0.8129	Intermediate Similarity	NPC297517
0.8129	Intermediate Similarity	NPC477277
0.812	Intermediate Similarity	NPC66905
0.8116	Intermediate Similarity	NPC476820
0.8116	Intermediate Similarity	NPC295492
0.8116	Intermediate Similarity	NPC274891
0.8116	Intermediate Similarity	NPC26241
0.8116	Intermediate Similarity	NPC303683
0.8116	Intermediate Similarity	NPC476819
0.8116	Intermediate Similarity	NPC205751
0.8116	Intermediate Similarity	NPC474875
0.8106	Intermediate Similarity	NPC226661
0.8099	Intermediate Similarity	NPC283081
0.8099	Intermediate Similarity	NPC299090
0.8099	Intermediate Similarity	NPC143892
0.8099	Intermediate Similarity	NPC221383
0.8099	Intermediate Similarity	NPC322660
0.8095	Intermediate Similarity	NPC471033
0.8095	Intermediate Similarity	NPC277460
0.8095	Intermediate Similarity	NPC311091
0.8092	Intermediate Similarity	NPC92207
0.8092	Intermediate Similarity	NPC127937
0.8088	Intermediate Similarity	NPC113295
0.8083	Intermediate Similarity	NPC260952
0.8077	Intermediate Similarity	NPC273686
0.8077	Intermediate Similarity	NPC312404
0.8077	Intermediate Similarity	NPC85565
0.8071	Intermediate Similarity	NPC37331
0.8071	Intermediate Similarity	NPC220664

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC197832 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	208
0.1-0.2	776
0.2-0.3	1336
0.3-0.4	2501
0.4-0.5	2348
0.5-0.6	1362
0.6-0.7	543
0.7-0.8	83
0.8-0.85	3
0.85-0.9	1
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.8571	High Similarity	NPD4379	Clinical (unspecified phase)
0.8071	Intermediate Similarity	NPD6190	Approved
0.8016	Intermediate Similarity	NPD5536	Phase 2
0.8	Intermediate Similarity	NPD8166	Discontinued
0.7914	Intermediate Similarity	NPD7266	Discontinued
0.7805	Intermediate Similarity	NPD3022	Approved
0.7805	Intermediate Similarity	NPD3021	Approved
0.7681	Intermediate Similarity	NPD230	Phase 1
0.763	Intermediate Similarity	NPD9494	Approved
0.7518	Intermediate Similarity	NPD7095	Approved
0.7466	Intermediate Similarity	NPD6143	Clinical (unspecified phase)
0.7464	Intermediate Similarity	NPD3764	Approved
0.745	Intermediate Similarity	NPD3455	Phase 2
0.7402	Intermediate Similarity	NPD228	Approved
0.7388	Intermediate Similarity	NPD9269	Phase 2
0.7386	Intermediate Similarity	NPD4868	Clinical (unspecified phase)
0.7368	Intermediate Similarity	NPD2801	Approved
0.736	Intermediate Similarity	NPD1358	Approved
0.7357	Intermediate Similarity	NPD943	Approved
0.7353	Intermediate Similarity	NPD2797	Approved
0.7347	Intermediate Similarity	NPD1511	Approved
0.7343	Intermediate Similarity	NPD2935	Discontinued
0.7338	Intermediate Similarity	NPD3268	Approved
0.7305	Intermediate Similarity	NPD447	Suspended
0.728	Intermediate Similarity	NPD3134	Approved
0.7279	Intermediate Similarity	NPD3225	Approved
0.7273	Intermediate Similarity	NPD2799	Discontinued
0.7273	Intermediate Similarity	NPD9545	Approved
0.7248	Intermediate Similarity	NPD1512	Approved
0.7239	Intermediate Similarity	NPD3847	Discontinued
0.7234	Intermediate Similarity	NPD825	Approved
0.7234	Intermediate Similarity	NPD826	Approved
0.7234	Intermediate Similarity	NPD4060	Phase 1
0.7214	Intermediate Similarity	NPD2313	Discontinued
0.7214	Intermediate Similarity	NPD6798	Discontinued
0.7209	Intermediate Similarity	NPD5535	Approved
0.7208	Intermediate Similarity	NPD3817	Phase 2
0.7185	Intermediate Similarity	NPD1535	Discovery
0.7174	Intermediate Similarity	NPD258	Approved
0.7174	Intermediate Similarity	NPD257	Approved
0.7167	Intermediate Similarity	NPD2934	Approved
0.7167	Intermediate Similarity	NPD2933	Approved
0.7163	Intermediate Similarity	NPD6233	Phase 2
0.7161	Intermediate Similarity	NPD3882	Suspended
0.7154	Intermediate Similarity	NPD5283	Phase 1
0.7152	Intermediate Similarity	NPD1653	Approved
0.7143	Intermediate Similarity	NPD3027	Phase 3
0.7143	Intermediate Similarity	NPD2393	Clinical (unspecified phase)
0.7143	Intermediate Similarity	NPD3750	Approved
0.7143	Intermediate Similarity	NPD4628	Phase 3
0.7132	Intermediate Similarity	NPD1481	Phase 2
0.7122	Intermediate Similarity	NPD5736	Approved
0.712	Intermediate Similarity	NPD5909	Discontinued
0.7117	Intermediate Similarity	NPD7685	Pre-registration
0.7107	Intermediate Similarity	NPD2859	Approved
0.7107	Intermediate Similarity	NPD2860	Approved
0.7101	Intermediate Similarity	NPD1203	Approved
0.709	Intermediate Similarity	NPD9268	Approved
0.709	Intermediate Similarity	NPD5585	Approved
0.7086	Intermediate Similarity	NPD6980	Clinical (unspecified phase)
0.7081	Intermediate Similarity	NPD3818	Discontinued
0.7078	Intermediate Similarity	NPD1934	Approved
0.7075	Intermediate Similarity	NPD7421	Clinical (unspecified phase)
0.7073	Intermediate Similarity	NPD3020	Approved
0.7071	Intermediate Similarity	NPD1529	Clinical (unspecified phase)
0.707	Intermediate Similarity	NPD6234	Discontinued
0.7063	Intermediate Similarity	NPD555	Phase 2
0.7063	Intermediate Similarity	NPD6355	Discontinued
0.7055	Intermediate Similarity	NPD2346	Discontinued
0.705	Intermediate Similarity	NPD2798	Approved
0.7044	Intermediate Similarity	NPD6232	Discontinued
0.7042	Intermediate Similarity	NPD259	Phase 1
0.7042	Intermediate Similarity	NPD4062	Phase 3
0.7037	Intermediate Similarity	NPD3019	Approved
0.7037	Intermediate Similarity	NPD2932	Approved
0.7037	Intermediate Similarity	NPD4626	Approved
0.7034	Intermediate Similarity	NPD4308	Phase 3
0.7032	Intermediate Similarity	NPD1465	Phase 2
0.7029	Intermediate Similarity	NPD1283	Approved
0.7027	Intermediate Similarity	NPD4109	Clinical (unspecified phase)
0.7027	Intermediate Similarity	NPD4110	Phase 3
0.7019	Intermediate Similarity	NPD7473	Discontinued
0.7015	Intermediate Similarity	NPD1894	Discontinued
0.7007	Intermediate Similarity	NPD1608	Approved
0.7	Intermediate Similarity	NPD9569	Approved
0.7	Intermediate Similarity	NPD4357	Discontinued
0.7	Intermediate Similarity	NPD1530	Clinical (unspecified phase)
0.6993	Remote Similarity	NPD3226	Approved
0.6992	Remote Similarity	NPD9493	Approved
0.6985	Remote Similarity	NPD3496	Discontinued
0.6978	Remote Similarity	NPD3267	Approved
0.6978	Remote Similarity	NPD3266	Approved
0.6978	Remote Similarity	NPD1470	Approved
0.697	Remote Similarity	NPD4338	Clinical (unspecified phase)
0.6966	Remote Similarity	NPD7097	Phase 1
0.6953	Remote Similarity	NPD9265	Clinical (unspecified phase)
0.6951	Remote Similarity	NPD7993	Clinical (unspecified phase)
0.6946	Remote Similarity	NPD8055	Clinical (unspecified phase)
0.6944	Remote Similarity	NPD1933	Approved
0.6944	Remote Similarity	NPD4340	Discontinued
0.6939	Remote Similarity	NPD2344	Approved
0.6934	Remote Similarity	NPD422	Phase 1
0.6933	Remote Similarity	NPD7054	Approved
0.6923	Remote Similarity	NPD6663	Approved
0.6912	Remote Similarity	NPD1778	Approved
0.6899	Remote Similarity	NPD7075	Discontinued
0.6894	Remote Similarity	NPD1241	Discontinued
0.689	Remote Similarity	NPD7472	Approved
0.6884	Remote Similarity	NPD9717	Approved
0.688	Remote Similarity	NPD1242	Phase 1
0.6879	Remote Similarity	NPD5402	Approved
0.6875	Remote Similarity	NPD1612	Clinical (unspecified phase)
0.6875	Remote Similarity	NPD1613	Approved
0.6871	Remote Similarity	NPD6032	Approved
0.6867	Remote Similarity	NPD2354	Approved
0.6866	Remote Similarity	NPD405	Clinical (unspecified phase)
0.6859	Remote Similarity	NPD37	Approved
0.6853	Remote Similarity	NPD6859	Clinical (unspecified phase)
0.6852	Remote Similarity	NPD6168	Clinical (unspecified phase)
0.6852	Remote Similarity	NPD6166	Phase 2
0.6852	Remote Similarity	NPD6167	Clinical (unspecified phase)
0.6848	Remote Similarity	NPD6797	Phase 2
0.6842	Remote Similarity	NPD690	Clinical (unspecified phase)
0.6842	Remote Similarity	NPD7422	Clinical (unspecified phase)
0.6839	Remote Similarity	NPD4380	Phase 2
0.6838	Remote Similarity	NPD1651	Approved
0.6838	Remote Similarity	NPD5691	Approved
0.6838	Remote Similarity	NPD1357	Approved
0.6835	Remote Similarity	NPD4359	Approved
0.6835	Remote Similarity	NPD4967	Phase 2
0.6835	Remote Similarity	NPD4966	Approved
0.6835	Remote Similarity	NPD2982	Phase 2
0.6835	Remote Similarity	NPD2983	Phase 2
0.6835	Remote Similarity	NPD4965	Approved
0.6831	Remote Similarity	NPD2614	Approved
0.6831	Remote Similarity	NPD6832	Phase 2
0.6828	Remote Similarity	NPD275	Approved
0.6828	Remote Similarity	NPD274	Approved
0.6824	Remote Similarity	NPD8397	Clinical (unspecified phase)
0.6815	Remote Similarity	NPD7819	Suspended
0.6812	Remote Similarity	NPD1281	Approved
0.6809	Remote Similarity	NPD5647	Approved
0.6807	Remote Similarity	NPD7251	Discontinued
0.6806	Remote Similarity	NPD8032	Phase 2
0.6803	Remote Similarity	NPD651	Clinical (unspecified phase)
0.6803	Remote Similarity	NPD1510	Phase 2
0.6803	Remote Similarity	NPD3748	Approved
0.68	Remote Similarity	NPD6398	Clinical (unspecified phase)
0.68	Remote Similarity	NPD7003	Approved
0.68	Remote Similarity	NPD1878	Clinical (unspecified phase)
0.6797	Remote Similarity	NPD6273	Approved
0.6797	Remote Similarity	NPD9697	Approved
0.6795	Remote Similarity	NPD6385	Approved
0.6795	Remote Similarity	NPD6386	Approved
0.6788	Remote Similarity	NPD7074	Phase 3
0.6788	Remote Similarity	NPD17	Approved
0.6786	Remote Similarity	NPD1876	Approved
0.6783	Remote Similarity	NPD9536	Phase 1
0.6783	Remote Similarity	NPD9537	Phase 1
0.6781	Remote Similarity	NPD6653	Approved
0.6779	Remote Similarity	NPD970	Clinical (unspecified phase)
0.6776	Remote Similarity	NPD6799	Approved
0.6774	Remote Similarity	NPD7458	Discontinued
0.677	Remote Similarity	NPD8127	Discontinued
0.6768	Remote Similarity	NPD7228	Approved
0.6763	Remote Similarity	NPD2981	Phase 2
0.6763	Remote Similarity	NPD3972	Approved
0.6759	Remote Similarity	NPD1558	Phase 1
0.6759	Remote Similarity	NPD3620	Phase 2
0.6759	Remote Similarity	NPD2979	Phase 3
0.6759	Remote Similarity	NPD4307	Phase 2
0.6759	Remote Similarity	NPD3619	Clinical (unspecified phase)
0.6757	Remote Similarity	NPD5408	Approved
0.6757	Remote Similarity	NPD5406	Approved
0.6757	Remote Similarity	NPD2438	Suspended
0.6757	Remote Similarity	NPD5404	Approved
0.6757	Remote Similarity	NPD5405	Approved
0.6755	Remote Similarity	NPD2309	Approved
0.6753	Remote Similarity	NPD5403	Approved
0.6752	Remote Similarity	NPD6801	Discontinued
0.6738	Remote Similarity	NPD3055	Approved
0.6738	Remote Similarity	NPD1164	Approved
0.6738	Remote Similarity	NPD3053	Approved
0.6736	Remote Similarity	NPD411	Approved
0.6732	Remote Similarity	NPD7410	Clinical (unspecified phase)
0.6732	Remote Similarity	NPD4378	Clinical (unspecified phase)
0.6731	Remote Similarity	NPD7028	Phase 2
0.6714	Remote Similarity	NPD3600	Clinical (unspecified phase)
0.6712	Remote Similarity	NPD1899	Clinical (unspecified phase)
0.6711	Remote Similarity	NPD7440	Discontinued
0.6711	Remote Similarity	NPD2343	Clinical (unspecified phase)
0.6709	Remote Similarity	NPD7096	Clinical (unspecified phase)
0.6695	Remote Similarity	NPD111	Approved
0.6692	Remote Similarity	NPD9377	Approved
0.6692	Remote Similarity	NPD9379	Approved
0.6692	Remote Similarity	NPD7843	Approved
0.6691	Remote Similarity	NPD1201	Approved
0.669	Remote Similarity	NPD6584	Phase 3
0.6689	Remote Similarity	NPD1509	Clinical (unspecified phase)
0.6689	Remote Similarity	NPD7033	Discontinued

Structure

NPC197832 OpenBabel07101719512D 31 33 0 0 0 0 0 0 0 0999 V2000 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 -4.3301 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 -1.5000 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 -5.1962 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1962 -2.0000 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 -3.4641 1.0000 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 -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 -3.4641 -0.0000 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 -0.5000 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 -5.1962 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1962 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3301 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 -3.5000 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 0.8660 -1.5000 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 -3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0622 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0622 -3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3301 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 -4.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -3.0000 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 12 1 0 0 0 0 2 5 2 0 0 0 0 2 13 1 0 0 0 0 3 6 2 0 0 0 0 3 13 1 0 0 0 0 4 7 2 0 0 0 0 4 14 1 0 0 0 0 5 15 1 0 0 0 0 6 17 1 0 0 0 0 7 18 1 0 0 0 0 8 14 1 0 0 0 0 8 16 2 0 0 0 0 9 13 2 0 0 0 0 9 19 1 0 0 0 0 10 14 2 0 0 0 0 10 20 1 0 0 0 0 11 15 2 0 0 0 0 11 21 1 0 0 0 0 12 16 1 0 0 0 0 12 24 2 0 0 0 0 15 31 1 0 0 0 0 16 22 1 0 0 0 0 17 19 2 0 0 0 0 17 25 1 0 0 0 0 18 20 2 0 0 0 0 18 26 1 0 0 0 0 19 27 1 0 0 0 0 20 28 1 0 0 0 0 21 22 2 0 0 0 0 21 29 1 0 0 0 0 22 23 1 0 0 0 0 23 30 2 0 0 0 0 23 31 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	54718836
ChEMBL	CHEMBL226019
ZINC

Physicochemical Properties

Molecular Weight:	422.10
ALogP:	-1.7161
MLogP:	3.11
XLogP:	2.951
# Rotatable Bonds:	11
Polar Surface Area:	144.52
# H-Bond Aceptor:	4
# H-Bond Donor:	5
# Rings:	3
# Heavy Atoms:	31

Download Data

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