NPASS Natural Product

Natural Product: NPC474726

Natural Product ID:	NPC474726
Common Name:	Fukanedone C
IUPAC Name:	(3S,4R,5R)-3-(2,4-dihydroxybenzoyl)-5-[(4E)-4,8-dimethyl-6-oxonona-4,7-dienyl]-4,5-dimethyloxolan-2-one
Synonyms:	fukanedone C
Molecular Formula:	C24H30O6
Standard InCHIKey:	OFAXVXGIEWFHQV-UZJAXVDTSA-N
Standard InCHI:	InChI=1S/C24H30O6/c1-14(2)11-18(26)12-15(3)7-6-10-24(5)16(4)21(23(29)30-24)22(28)19-9-8-17(25)13-20(19)27/h8-9,11-13,16,21,25,27H,6-7,10H2,1-5H3/b15-12+/t16-,21+,24-/m1/s1
Canonical SMILES:	C/C(=CC(=O)C=C(C)C)/CCC[C@@]1(C)OC(=O)[C@@H]([C@H]1C)C(=O)c1ccc(cc1O)O
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
NPO3780	Ferula fukanensis	Species	Apiaceae	Eukaryota				PMID[15787437]

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	=	6700	nM	17571903

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 NPC474726 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	212
0.1-0.2	1025
0.2-0.3	2003
0.3-0.4	4688
0.4-0.5	8162
0.5-0.6	3946
0.6-0.7	5452
0.7-0.8	4567
0.8-0.85	744
0.85-0.9	89
0.9-0.95	0
0.95-1	1

Similarity Score	Similarity Level	Natural Product ID
1.0	High Similarity	NPC475955
0.8855	High Similarity	NPC475733
0.8841	High Similarity	NPC472403
0.8841	High Similarity	NPC177307
0.8841	High Similarity	NPC9121
0.8806	High Similarity	NPC247477
0.8806	High Similarity	NPC17840
0.8776	High Similarity	NPC474542
0.8768	High Similarity	NPC474849
0.8768	High Similarity	NPC178467
0.8768	High Similarity	NPC65837
0.8768	High Similarity	NPC474771
0.8768	High Similarity	NPC149372
0.876	High Similarity	NPC146642
0.876	High Similarity	NPC149246
0.875	High Similarity	NPC470988
0.8741	High Similarity	NPC198249
0.8732	High Similarity	NPC131043
0.8732	High Similarity	NPC473976
0.8732	High Similarity	NPC109812
0.8732	High Similarity	NPC198459
0.8732	High Similarity	NPC313039
0.8731	High Similarity	NPC474998
0.8714	High Similarity	NPC470986
0.8705	High Similarity	NPC478200
0.8705	High Similarity	NPC191835
0.8705	High Similarity	NPC33144
0.8705	High Similarity	NPC475974
0.8702	High Similarity	NPC65761
0.8702	High Similarity	NPC472029
0.8686	High Similarity	NPC470984
0.8682	High Similarity	NPC294037
0.8657	High Similarity	NPC21305
0.8657	High Similarity	NPC473017
0.8657	High Similarity	NPC221777
0.8652	High Similarity	NPC313123
0.8652	High Similarity	NPC478217
0.8652	High Similarity	NPC472035
0.8652	High Similarity	NPC478201
0.8647	High Similarity	NPC95309
0.8647	High Similarity	NPC473751
0.8633	High Similarity	NPC71256
0.8633	High Similarity	NPC470985
0.8633	High Similarity	NPC470989
0.8633	High Similarity	NPC70380
0.8626	High Similarity	NPC91105
0.8626	High Similarity	NPC309765
0.8605	High Similarity	NPC161617
0.8582	High Similarity	NPC103356
0.8582	High Similarity	NPC98254
0.8582	High Similarity	NPC190043
0.8582	High Similarity	NPC30501
0.8582	High Similarity	NPC105157
0.8582	High Similarity	NPC100067
0.8582	High Similarity	NPC169250
0.8582	High Similarity	NPC162612
0.8582	High Similarity	NPC23126
0.8582	High Similarity	NPC72158
0.8582	High Similarity	NPC266689
0.8571	High Similarity	NPC94248
0.8571	High Similarity	NPC262671
0.8571	High Similarity	NPC212693
0.8571	High Similarity	NPC201728
0.8571	High Similarity	NPC477454
0.8551	High Similarity	NPC166480
0.8551	High Similarity	NPC282780
0.855	High Similarity	NPC303737
0.855	High Similarity	NPC215392
0.854	High Similarity	NPC185624
0.854	High Similarity	NPC175738
0.8531	High Similarity	NPC472006
0.8531	High Similarity	NPC478202
0.8529	High Similarity	NPC21378
0.8529	High Similarity	NPC470987
0.8527	High Similarity	NPC209486
0.8527	High Similarity	NPC241089
0.8527	High Similarity	NPC40649
0.8519	High Similarity	NPC41263
0.8511	High Similarity	NPC275356
0.8511	High Similarity	NPC474655
0.8511	High Similarity	NPC19622
0.8511	High Similarity	NPC112789
0.8511	High Similarity	NPC52358
0.8507	High Similarity	NPC8745
0.8507	High Similarity	NPC473691
0.8507	High Similarity	NPC267846
0.8507	High Similarity	NPC62952
0.85	High Similarity	NPC213603
0.85	High Similarity	NPC194579
0.85	High Similarity	NPC187826
0.8489	Intermediate Similarity	NPC290803
0.8485	Intermediate Similarity	NPC133909
0.8485	Intermediate Similarity	NPC32032
0.8483	Intermediate Similarity	NPC472033
0.8483	Intermediate Similarity	NPC25844
0.8478	Intermediate Similarity	NPC180261
0.8478	Intermediate Similarity	NPC37299
0.8478	Intermediate Similarity	NPC153783
0.8472	Intermediate Similarity	NPC210966
0.8472	Intermediate Similarity	NPC478203
0.8472	Intermediate Similarity	NPC126882
0.8467	Intermediate Similarity	NPC219892
0.8467	Intermediate Similarity	NPC189823
0.8456	Intermediate Similarity	NPC109123
0.8456	Intermediate Similarity	NPC92624
0.8451	Intermediate Similarity	NPC275903
0.8451	Intermediate Similarity	NPC477956
0.8451	Intermediate Similarity	NPC158472
0.845	Intermediate Similarity	NPC121259
0.8444	Intermediate Similarity	NPC116513
0.8444	Intermediate Similarity	NPC209959
0.844	Intermediate Similarity	NPC472602
0.8435	Intermediate Similarity	NPC84142
0.8433	Intermediate Similarity	NPC10926
0.8429	Intermediate Similarity	NPC118919
0.8417	Intermediate Similarity	NPC175943
0.8417	Intermediate Similarity	NPC475088
0.8414	Intermediate Similarity	NPC83272
0.8414	Intermediate Similarity	NPC316535
0.8414	Intermediate Similarity	NPC257558
0.8414	Intermediate Similarity	NPC472034
0.8409	Intermediate Similarity	NPC242895
0.8409	Intermediate Similarity	NPC156139
0.8409	Intermediate Similarity	NPC196976
0.8409	Intermediate Similarity	NPC143427
0.8409	Intermediate Similarity	NPC45438
0.8409	Intermediate Similarity	NPC115159
0.8409	Intermediate Similarity	NPC224273
0.8409	Intermediate Similarity	NPC19174
0.8409	Intermediate Similarity	NPC73532
0.8409	Intermediate Similarity	NPC267552
0.8403	Intermediate Similarity	NPC354984
0.8394	Intermediate Similarity	NPC307732
0.8394	Intermediate Similarity	NPC259942
0.8394	Intermediate Similarity	NPC42292
0.8392	Intermediate Similarity	NPC53649
0.8392	Intermediate Similarity	NPC67650
0.8392	Intermediate Similarity	NPC472603
0.8392	Intermediate Similarity	NPC158634
0.8392	Intermediate Similarity	NPC1704
0.8392	Intermediate Similarity	NPC90411
0.8392	Intermediate Similarity	NPC477272
0.838	Intermediate Similarity	NPC470669
0.838	Intermediate Similarity	NPC474487
0.838	Intermediate Similarity	NPC139634
0.838	Intermediate Similarity	NPC105456
0.838	Intermediate Similarity	NPC21350
0.838	Intermediate Similarity	NPC470672
0.838	Intermediate Similarity	NPC474504
0.838	Intermediate Similarity	NPC472368
0.838	Intermediate Similarity	NPC470671
0.838	Intermediate Similarity	NPC470668
0.8378	Intermediate Similarity	NPC56204
0.8378	Intermediate Similarity	NPC158866
0.8378	Intermediate Similarity	NPC164762
0.8358	Intermediate Similarity	NPC13238
0.8357	Intermediate Similarity	NPC236974
0.8357	Intermediate Similarity	NPC144027
0.8357	Intermediate Similarity	NPC470210
0.8357	Intermediate Similarity	NPC286336
0.8356	Intermediate Similarity	NPC154217
0.8356	Intermediate Similarity	NPC299011
0.8356	Intermediate Similarity	NPC477955
0.8356	Intermediate Similarity	NPC107625
0.8355	Intermediate Similarity	NPC244750
0.8345	Intermediate Similarity	NPC213485
0.8345	Intermediate Similarity	NPC139074
0.8345	Intermediate Similarity	NPC48036
0.8345	Intermediate Similarity	NPC42540
0.8345	Intermediate Similarity	NPC40524
0.8345	Intermediate Similarity	NPC151607
0.8333	Intermediate Similarity	NPC250755
0.8333	Intermediate Similarity	NPC49108
0.8333	Intermediate Similarity	NPC297186
0.8333	Intermediate Similarity	NPC474385
0.8333	Intermediate Similarity	NPC475042
0.8322	Intermediate Similarity	NPC240768
0.8322	Intermediate Similarity	NPC472601
0.8322	Intermediate Similarity	NPC200773
0.8322	Intermediate Similarity	NPC181560
0.8322	Intermediate Similarity	NPC91809
0.8322	Intermediate Similarity	NPC169452
0.8322	Intermediate Similarity	NPC472600
0.8321	Intermediate Similarity	NPC212379
0.8321	Intermediate Similarity	NPC69235
0.831	Intermediate Similarity	NPC472419
0.831	Intermediate Similarity	NPC153979
0.831	Intermediate Similarity	NPC317119
0.8301	Intermediate Similarity	NPC115432
0.8301	Intermediate Similarity	NPC260296
0.8299	Intermediate Similarity	NPC137296
0.8299	Intermediate Similarity	NPC472036
0.8298	Intermediate Similarity	NPC158481
0.8298	Intermediate Similarity	NPC50455
0.8298	Intermediate Similarity	NPC235115
0.8289	Intermediate Similarity	NPC476930
0.8288	Intermediate Similarity	NPC196137
0.8288	Intermediate Similarity	NPC184649
0.8288	Intermediate Similarity	NPC230943
0.8288	Intermediate Similarity	NPC234629

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC474726 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	236
0.1-0.2	809
0.2-0.3	1434
0.3-0.4	2543
0.4-0.5	2350
0.5-0.6	1211
0.6-0.7	448
0.7-0.8	118
0.8-0.85	12
0.85-0.9	0
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.8252	Intermediate Similarity	NPD970	Clinical (unspecified phase)
0.817	Intermediate Similarity	NPD3749	Approved
0.8163	Intermediate Similarity	NPD2533	Approved
0.8163	Intermediate Similarity	NPD2532	Approved
0.8163	Intermediate Similarity	NPD2534	Approved
0.8143	Intermediate Similarity	NPD1240	Approved
0.8143	Intermediate Similarity	NPD943	Approved
0.8069	Intermediate Similarity	NPD2800	Approved
0.8042	Intermediate Similarity	NPD1509	Clinical (unspecified phase)
0.8042	Intermediate Similarity	NPD1510	Phase 2
0.8028	Intermediate Similarity	NPD1607	Approved
0.8	Intermediate Similarity	NPD3764	Approved
0.7919	Intermediate Similarity	NPD4378	Clinical (unspecified phase)
0.7919	Intermediate Similarity	NPD7410	Clinical (unspecified phase)
0.7917	Intermediate Similarity	NPD651	Clinical (unspecified phase)
0.7891	Intermediate Similarity	NPD1878	Clinical (unspecified phase)
0.7891	Intermediate Similarity	NPD3750	Approved
0.7877	Intermediate Similarity	NPD1549	Phase 2
0.7857	Intermediate Similarity	NPD7819	Suspended
0.7852	Intermediate Similarity	NPD6799	Approved
0.7843	Intermediate Similarity	NPD7411	Suspended
0.7836	Intermediate Similarity	NPD9545	Approved
0.7832	Intermediate Similarity	NPD230	Phase 1
0.7823	Intermediate Similarity	NPD1243	Approved
0.7821	Intermediate Similarity	NPD7075	Discontinued
0.782	Intermediate Similarity	NPD9493	Approved
0.7808	Intermediate Similarity	NPD1550	Clinical (unspecified phase)
0.7808	Intermediate Similarity	NPD2344	Approved
0.7808	Intermediate Similarity	NPD1552	Clinical (unspecified phase)
0.7793	Intermediate Similarity	NPD2799	Discontinued
0.7778	Intermediate Similarity	NPD6599	Discontinued
0.777	Intermediate Similarity	NPD1164	Approved
0.7756	Intermediate Similarity	NPD3882	Suspended
0.7752	Intermediate Similarity	NPD74	Approved
0.7752	Intermediate Similarity	NPD9266	Approved
0.7742	Intermediate Similarity	NPD7096	Clinical (unspecified phase)
0.774	Intermediate Similarity	NPD2796	Approved
0.7697	Intermediate Similarity	NPD920	Approved
0.7692	Intermediate Similarity	NPD8443	Clinical (unspecified phase)
0.7681	Intermediate Similarity	NPD9269	Phase 2
0.7674	Intermediate Similarity	NPD9265	Clinical (unspecified phase)
0.7674	Intermediate Similarity	NPD9263	Approved
0.7674	Intermediate Similarity	NPD9267	Approved
0.7674	Intermediate Similarity	NPD9264	Approved
0.7662	Intermediate Similarity	NPD4380	Phase 2
0.7655	Intermediate Similarity	NPD6651	Approved
0.7647	Intermediate Similarity	NPD9268	Approved
0.7643	Intermediate Similarity	NPD7768	Phase 2
0.764	Intermediate Similarity	NPD7852	Clinical (unspecified phase)
0.7619	Intermediate Similarity	NPD5406	Approved
0.7619	Intermediate Similarity	NPD5404	Approved
0.7619	Intermediate Similarity	NPD5408	Approved
0.7619	Intermediate Similarity	NPD2935	Discontinued
0.7619	Intermediate Similarity	NPD5405	Approved
0.7619	Intermediate Similarity	NPD1551	Phase 2
0.7616	Intermediate Similarity	NPD7390	Discontinued
0.76	Intermediate Similarity	NPD2309	Approved
0.7593	Intermediate Similarity	NPD7473	Discontinued
0.7566	Intermediate Similarity	NPD642	Clinical (unspecified phase)
0.7564	Intermediate Similarity	NPD6801	Discontinued
0.7554	Intermediate Similarity	NPD9717	Approved
0.7551	Intermediate Similarity	NPD3748	Approved
0.755	Intermediate Similarity	NPD643	Clinical (unspecified phase)
0.7533	Intermediate Similarity	NPD6398	Clinical (unspecified phase)
0.7518	Intermediate Similarity	NPD1470	Approved
0.7518	Intermediate Similarity	NPD4196	Clinical (unspecified phase)
0.7516	Intermediate Similarity	NPD2393	Clinical (unspecified phase)
0.7516	Intermediate Similarity	NPD2801	Approved
0.7516	Intermediate Similarity	NPD6232	Discontinued
0.75	Intermediate Similarity	NPD6859	Clinical (unspecified phase)
0.75	Intermediate Similarity	NPD1511	Approved
0.7484	Intermediate Similarity	NPD4381	Clinical (unspecified phase)
0.7467	Intermediate Similarity	NPD7421	Clinical (unspecified phase)
0.7452	Intermediate Similarity	NPD1934	Approved
0.7439	Intermediate Similarity	NPD3818	Discontinued
0.7426	Intermediate Similarity	NPD405	Clinical (unspecified phase)
0.741	Intermediate Similarity	NPD5953	Discontinued
0.7407	Intermediate Similarity	NPD9281	Approved
0.7407	Intermediate Similarity	NPD5711	Approved
0.7407	Intermediate Similarity	NPD5710	Approved
0.7403	Intermediate Similarity	NPD1512	Approved
0.7394	Intermediate Similarity	NPD1203	Approved
0.7391	Intermediate Similarity	NPD5494	Approved
0.7364	Intermediate Similarity	NPD9261	Approved
0.7358	Intermediate Similarity	NPD3817	Phase 2
0.7357	Intermediate Similarity	NPD1201	Approved
0.7351	Intermediate Similarity	NPD2654	Approved
0.7343	Intermediate Similarity	NPD2798	Approved
0.7312	Intermediate Similarity	NPD4868	Clinical (unspecified phase)
0.7303	Intermediate Similarity	NPD4628	Phase 3
0.7289	Intermediate Similarity	NPD7286	Phase 2
0.7287	Intermediate Similarity	NPD940	Approved
0.7287	Intermediate Similarity	NPD846	Approved
0.7267	Intermediate Similarity	NPD6099	Approved
0.7267	Intermediate Similarity	NPD6100	Approved
0.7261	Intermediate Similarity	NPD3226	Approved
0.726	Intermediate Similarity	NPD3268	Approved
0.726	Intermediate Similarity	NPD2313	Discontinued
0.7256	Intermediate Similarity	NPD3926	Phase 2
0.7244	Intermediate Similarity	NPD5403	Approved
0.7244	Intermediate Similarity	NPD6980	Clinical (unspecified phase)
0.7234	Intermediate Similarity	NPD422	Phase 1
0.723	Intermediate Similarity	NPD447	Suspended
0.7222	Intermediate Similarity	NPD919	Approved
0.7219	Intermediate Similarity	NPD4419	Clinical (unspecified phase)
0.7168	Intermediate Similarity	NPD4287	Approved
0.716	Intermediate Similarity	NPD6559	Discontinued
0.7153	Intermediate Similarity	NPD2797	Approved
0.7143	Intermediate Similarity	NPD5402	Approved
0.7143	Intermediate Similarity	NPD411	Approved
0.7134	Intermediate Similarity	NPD6959	Discontinued
0.7123	Intermediate Similarity	NPD6832	Phase 2
0.7115	Intermediate Similarity	NPD5401	Approved
0.7108	Intermediate Similarity	NPD6167	Clinical (unspecified phase)
0.7108	Intermediate Similarity	NPD6168	Clinical (unspecified phase)
0.7108	Intermediate Similarity	NPD6166	Phase 2
0.7105	Intermediate Similarity	NPD2346	Discontinued
0.7103	Intermediate Similarity	NPD6007	Clinical (unspecified phase)
0.7095	Intermediate Similarity	NPD520	Approved
0.7086	Intermediate Similarity	NPD7033	Discontinued
0.7086	Intermediate Similarity	NPD4308	Phase 3
0.7083	Intermediate Similarity	NPD7804	Clinical (unspecified phase)
0.7081	Intermediate Similarity	NPD1465	Phase 2
0.7063	Intermediate Similarity	NPD1608	Approved
0.7041	Intermediate Similarity	NPD7074	Phase 3
0.7037	Intermediate Similarity	NPD2296	Approved
0.7037	Intermediate Similarity	NPD4750	Phase 3
0.7032	Intermediate Similarity	NPD6190	Approved
0.7018	Intermediate Similarity	NPD4338	Clinical (unspecified phase)
0.7006	Intermediate Similarity	NPD2403	Approved
0.6993	Remote Similarity	NPD2343	Clinical (unspecified phase)
0.6982	Remote Similarity	NPD7054	Approved
0.6982	Remote Similarity	NPD6020	Phase 2
0.6982	Remote Similarity	NPD5844	Phase 1
0.6954	Remote Similarity	NPD8150	Discontinued
0.6944	Remote Similarity	NPD3972	Approved
0.6943	Remote Similarity	NPD6143	Clinical (unspecified phase)
0.6941	Remote Similarity	NPD7472	Approved
0.6937	Remote Similarity	NPD7458	Discontinued
0.6933	Remote Similarity	NPD4288	Approved
0.6928	Remote Similarity	NPD1247	Approved
0.6923	Remote Similarity	NPD7893	Clinical (unspecified phase)
0.6918	Remote Similarity	NPD3267	Approved
0.6918	Remote Similarity	NPD3266	Approved
0.6913	Remote Similarity	NPD1296	Phase 2
0.6901	Remote Similarity	NPD6797	Phase 2
0.6901	Remote Similarity	NPD7993	Clinical (unspecified phase)
0.6899	Remote Similarity	NPD7004	Clinical (unspecified phase)
0.6893	Remote Similarity	NPD7879	Clinical (unspecified phase)
0.6892	Remote Similarity	NPD4908	Phase 1
0.6887	Remote Similarity	NPD5124	Phase 1
0.6887	Remote Similarity	NPD5123	Clinical (unspecified phase)
0.6886	Remote Similarity	NPD7229	Phase 3
0.6886	Remote Similarity	NPD6808	Phase 2
0.6883	Remote Similarity	NPD6005	Phase 3
0.6883	Remote Similarity	NPD6004	Phase 3
0.6883	Remote Similarity	NPD6003	Clinical (unspecified phase)
0.6883	Remote Similarity	NPD6002	Phase 3
0.6883	Remote Similarity	NPD6006	Clinical (unspecified phase)
0.6883	Remote Similarity	NPD1471	Phase 3
0.6879	Remote Similarity	NPD3300	Phase 2
0.6871	Remote Similarity	NPD1019	Discontinued
0.6863	Remote Similarity	NPD3299	Clinical (unspecified phase)
0.6861	Remote Similarity	NPD2181	Clinical (unspecified phase)
0.686	Remote Similarity	NPD7251	Discontinued
0.6859	Remote Similarity	NPD7003	Approved
0.6857	Remote Similarity	NPD8434	Phase 2
0.6853	Remote Similarity	NPD2932	Approved
0.6853	Remote Similarity	NPD17	Approved
0.6853	Remote Similarity	NPD3019	Approved
0.6849	Remote Similarity	NPD1876	Approved
0.6842	Remote Similarity	NPD1729	Discontinued
0.6826	Remote Similarity	NPD7199	Phase 2
0.6821	Remote Similarity	NPD4307	Phase 2
0.6821	Remote Similarity	NPD7808	Phase 3
0.681	Remote Similarity	NPD37	Approved
0.6807	Remote Similarity	NPD6234	Discontinued
0.68	Remote Similarity	NPD8055	Clinical (unspecified phase)
0.68	Remote Similarity	NPD4907	Clinical (unspecified phase)
0.6792	Remote Similarity	NPD7422	Clinical (unspecified phase)
0.6788	Remote Similarity	NPD4967	Phase 2
0.6788	Remote Similarity	NPD4965	Approved
0.6788	Remote Similarity	NPD4966	Approved
0.6786	Remote Similarity	NPD690	Clinical (unspecified phase)
0.6781	Remote Similarity	NPD4749	Approved
0.6778	Remote Similarity	NPD4361	Phase 2
0.6778	Remote Similarity	NPD4362	Clinical (unspecified phase)
0.6776	Remote Similarity	NPD6355	Discontinued
0.6776	Remote Similarity	NPD1899	Clinical (unspecified phase)
0.6759	Remote Similarity	NPD1610	Phase 2
0.6755	Remote Similarity	NPD6663	Approved
0.6752	Remote Similarity	NPD8166	Discontinued
0.6748	Remote Similarity	NPD7615	Clinical (unspecified phase)
0.6746	Remote Similarity	NPD7184	Clinical (unspecified phase)
0.6742	Remote Similarity	NPD3020	Approved
0.6735	Remote Similarity	NPD3225	Approved
0.6727	Remote Similarity	NPD8438	Clinical (unspecified phase)
0.6716	Remote Similarity	NPD1931	Clinical (unspecified phase)
0.6716	Remote Similarity	NPD1929	Approved
0.6716	Remote Similarity	NPD1930	Approved

Structure

NPC474726 OpenBabel07101718202D 30 31 0 0 1 0 0 0 0 0999 V2000 -6.2676 3.9860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2857 2.5847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8406 2.2226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0388 2.5873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3090 1.4538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2226 1.0471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1361 0.6403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6808 -0.2976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8147 0.2024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4135 0.4593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5632 2.4037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8587 0.8214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5468 1.2024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3722 2.9915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9451 1.2281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1691 1.6092 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5468 0.2024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6677 1.4092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8147 1.2024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6808 1.7024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0827 1.2024 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9487 1.7024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9781 0.2079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5000 0.8660 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4128 -0.2976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5812 1.0024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6808 2.7024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9487 2.7024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7213 -0.4612 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 14 1 0 0 0 0 2 14 1 0 0 0 0 3 15 1 0 0 0 0 4 16 1 0 0 0 0 6 7 1 0 0 0 0 6 10 1 0 0 0 0 7 15 1 0 0 0 0 8 9 2 0 0 0 0 8 17 1 0 0 0 0 9 19 1 0 0 0 0 10 24 1 0 0 0 0 11 14 2 0 0 0 0 11 18 1 0 0 0 0 12 15 2 0 0 0 0 12 18 1 0 0 0 0 13 17 2 0 0 0 0 13 20 1 0 0 0 0 16 21 1 0 0 0 0 16 24 1 6 0 0 0 17 25 1 0 0 0 0 18 26 2 0 0 0 0 19 20 2 0 0 0 0 19 22 1 0 0 0 0 20 27 1 0 0 0 0 21 22 1 1 0 0 0 21 23 1 0 0 0 0 22 28 2 0 0 0 0 23 29 2 0 0 0 0 23 30 1 0 0 0 0 24 5 1 1 0 0 0 24 30 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	11350513
ChEMBL	CHEMBL480489
ZINC

Physicochemical Properties

Molecular Weight:	414.20
ALogP:	0.891
MLogP:	3.44
XLogP:	3.247
# Rotatable Bonds:	15
Polar Surface Area:	100.9
# H-Bond Aceptor:	4
# H-Bond Donor:	2
# Rings:	2
# Heavy Atoms:	30

Download Data

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