NPASS Natural Product

Natural Product: NPC476473

Natural Product ID:	NPC476473
Common Name:	[(1R)-1-(5,8-Dihydroxy-1,4-Dioxonaphthalen-2-Yl)-4-Methylpent-3-Enyl] Benzoate
IUPAC Name:	[(1R)-1-(5,8-dihydroxy-1,4-dioxonaphthalen-2-yl)-4-methylpent-3-enyl] benzoate
Synonyms:
Molecular Formula:	C23H20O6
Standard InCHIKey:	ICTJEGSRKSUYCN-LJQANCHMSA-N
Standard InCHI:	InChI=1S/C23H20O6/c1-13(2)8-11-19(29-23(28)14-6-4-3-5-7-14)15-12-18(26)20-16(24)9-10-17(25)21(20)22(15)27/h3-10,12,19,24-25H,11H2,1-2H3/t19-/m1/s1
Canonical SMILES:	CC(=CC[C@H](C1=CC(=O)c2c(C1=O)c(O)ccc2O)OC(=O)c1ccccc1)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
NPO11776	Lithospermum erythrorhizon	Species	Boraginaceae	Eukaryota				PMID[17157006]

Biological Activity

Activity Type	# Activity
IC50	3

Activity Type	# Activity
Individual Protein	3

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT143	Individual Protein	DNA topoisomerase I	Homo sapiens	IC50	=	153000	nM	14640515
NPT1214	Individual Protein	Acyl coenzyme A:cholesterol acyltransferase 1	Homo sapiens	IC50	=	53700	nM	18989978
NPT2584	Individual Protein	Acyl coenzyme A:cholesterol acyltransferase 2	Homo sapiens	IC50	=	56200	nM	17988094

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 NPC476473 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	226
0.1-0.2	1010
0.2-0.3	1820
0.3-0.4	3824
0.4-0.5	7339
0.5-0.6	5130
0.6-0.7	4829
0.7-0.8	6084
0.8-0.85	541
0.85-0.9	59
0.9-0.95	7
0.95-1	20

Similarity Score	Similarity Level	Natural Product ID
0.9926	High Similarity	NPC474300
0.9706	High Similarity	NPC29771
0.9706	High Similarity	NPC111422
0.9706	High Similarity	NPC299405
0.9706	High Similarity	NPC471602
0.9706	High Similarity	NPC256463
0.9706	High Similarity	NPC306835
0.9706	High Similarity	NPC476477
0.9706	High Similarity	NPC216312
0.9635	High Similarity	NPC327916
0.9635	High Similarity	NPC32749
0.9635	High Similarity	NPC241349
0.9635	High Similarity	NPC147542
0.9635	High Similarity	NPC220496
0.9635	High Similarity	NPC37992
0.9635	High Similarity	NPC42262
0.9565	High Similarity	NPC257003
0.9565	High Similarity	NPC471444
0.95	High Similarity	NPC89664
0.95	High Similarity	NPC274085
0.942	High Similarity	NPC295339
0.9348	High Similarity	NPC61590
0.9225	High Similarity	NPC103910
0.9155	High Similarity	NPC21873
0.9051	High Similarity	NPC246693
0.9051	High Similarity	NPC242358
0.9051	High Similarity	NPC110609
0.8966	High Similarity	NPC147250
0.8904	High Similarity	NPC119767
0.8881	High Similarity	NPC124365
0.8865	High Similarity	NPC305060
0.8857	High Similarity	NPC22222
0.8857	High Similarity	NPC281513
0.8828	High Similarity	NPC477409
0.8811	High Similarity	NPC315578
0.8794	High Similarity	NPC141934
0.8774	High Similarity	NPC474301
0.875	High Similarity	NPC306765
0.8742	High Similarity	NPC66029
0.8741	High Similarity	NPC1268
0.8741	High Similarity	NPC26924
0.8733	High Similarity	NPC281272
0.8723	High Similarity	NPC27407
0.8716	High Similarity	NPC94781
0.8707	High Similarity	NPC300540
0.8705	High Similarity	NPC205992
0.8675	High Similarity	NPC477691
0.8675	High Similarity	NPC470408
0.8675	High Similarity	NPC182921
0.8675	High Similarity	NPC218870
0.8675	High Similarity	NPC474824
0.8675	High Similarity	NPC474622
0.8675	High Similarity	NPC474621
0.8667	High Similarity	NPC39819
0.8662	High Similarity	NPC272268
0.8658	High Similarity	NPC44378
0.8658	High Similarity	NPC280753
0.8658	High Similarity	NPC120171
0.8639	High Similarity	NPC474630
0.8627	High Similarity	NPC67197
0.8613	High Similarity	NPC96915
0.8613	High Similarity	NPC3224
0.8609	High Similarity	NPC477690
0.8609	High Similarity	NPC474534
0.8609	High Similarity	NPC474533
0.8601	High Similarity	NPC245923
0.8601	High Similarity	NPC261292
0.8601	High Similarity	NPC301915
0.86	High Similarity	NPC315520
0.86	High Similarity	NPC205766
0.8592	High Similarity	NPC142027
0.8581	High Similarity	NPC470570
0.8571	High Similarity	NPC7012
0.8562	High Similarity	NPC474861
0.8551	High Similarity	NPC471530
0.854	High Similarity	NPC103540
0.8535	High Similarity	NPC71390
0.8533	High Similarity	NPC70764
0.8531	High Similarity	NPC474813
0.8521	High Similarity	NPC288089
0.8514	High Similarity	NPC34482
0.8511	High Similarity	NPC477406
0.8511	High Similarity	NPC58685
0.8511	High Similarity	NPC70622
0.8506	High Similarity	NPC29552
0.8503	High Similarity	NPC66593
0.8497	Intermediate Similarity	NPC3898
0.8493	Intermediate Similarity	NPC130485
0.8493	Intermediate Similarity	NPC283292
0.8489	Intermediate Similarity	NPC282923
0.8487	Intermediate Similarity	NPC478220
0.8483	Intermediate Similarity	NPC114620
0.8483	Intermediate Similarity	NPC477408
0.8483	Intermediate Similarity	NPC103337
0.8467	Intermediate Similarity	NPC172329
0.8467	Intermediate Similarity	NPC2569
0.8467	Intermediate Similarity	NPC470479
0.8462	Intermediate Similarity	NPC161632
0.8462	Intermediate Similarity	NPC283088
0.8456	Intermediate Similarity	NPC211565
0.8456	Intermediate Similarity	NPC60389
0.8452	Intermediate Similarity	NPC477692
0.8451	Intermediate Similarity	NPC472591
0.8451	Intermediate Similarity	NPC43627
0.8451	Intermediate Similarity	NPC115458
0.8446	Intermediate Similarity	NPC193703
0.8446	Intermediate Similarity	NPC48762
0.8446	Intermediate Similarity	NPC21599
0.8446	Intermediate Similarity	NPC42540
0.8446	Intermediate Similarity	NPC151607
0.8442	Intermediate Similarity	NPC313299
0.8442	Intermediate Similarity	NPC478027
0.8442	Intermediate Similarity	NPC472050
0.844	Intermediate Similarity	NPC470831
0.844	Intermediate Similarity	NPC214702
0.8431	Intermediate Similarity	NPC135522
0.8429	Intermediate Similarity	NPC99731
0.8429	Intermediate Similarity	NPC146647
0.8429	Intermediate Similarity	NPC34414
0.8425	Intermediate Similarity	NPC168471
0.8425	Intermediate Similarity	NPC155205
0.8418	Intermediate Similarity	NPC178281
0.8414	Intermediate Similarity	NPC221104
0.8414	Intermediate Similarity	NPC478200
0.8414	Intermediate Similarity	NPC191835
0.8414	Intermediate Similarity	NPC126739
0.8414	Intermediate Similarity	NPC197666
0.8414	Intermediate Similarity	NPC33144
0.8411	Intermediate Similarity	NPC478219
0.8403	Intermediate Similarity	NPC291454
0.8397	Intermediate Similarity	NPC284495
0.8394	Intermediate Similarity	NPC477153
0.8394	Intermediate Similarity	NPC375356
0.8392	Intermediate Similarity	NPC1249
0.8392	Intermediate Similarity	NPC474097
0.8389	Intermediate Similarity	NPC474309
0.8389	Intermediate Similarity	NPC475923
0.8387	Intermediate Similarity	NPC206641
0.8387	Intermediate Similarity	NPC208651
0.8387	Intermediate Similarity	NPC263483
0.8387	Intermediate Similarity	NPC44199
0.8378	Intermediate Similarity	NPC469885
0.8378	Intermediate Similarity	NPC471731
0.8378	Intermediate Similarity	NPC478202
0.8378	Intermediate Similarity	NPC159721
0.8377	Intermediate Similarity	NPC82190
0.8377	Intermediate Similarity	NPC174599
0.8377	Intermediate Similarity	NPC192219
0.8369	Intermediate Similarity	NPC55949
0.8369	Intermediate Similarity	NPC199253
0.8369	Intermediate Similarity	NPC475741
0.8369	Intermediate Similarity	NPC136588
0.8369	Intermediate Similarity	NPC31539
0.8367	Intermediate Similarity	NPC478217
0.8367	Intermediate Similarity	NPC149533
0.8367	Intermediate Similarity	NPC53649
0.8367	Intermediate Similarity	NPC472035
0.8367	Intermediate Similarity	NPC187843
0.8367	Intermediate Similarity	NPC313123
0.8367	Intermediate Similarity	NPC478201
0.8367	Intermediate Similarity	NPC470842
0.8367	Intermediate Similarity	NPC472603
0.8366	Intermediate Similarity	NPC175978
0.8366	Intermediate Similarity	NPC474843
0.8366	Intermediate Similarity	NPC115249
0.8357	Intermediate Similarity	NPC48248
0.8355	Intermediate Similarity	NPC470568
0.8355	Intermediate Similarity	NPC470107
0.8355	Intermediate Similarity	NPC295036
0.8355	Intermediate Similarity	NPC294646
0.8345	Intermediate Similarity	NPC70380
0.8345	Intermediate Similarity	NPC471542
0.8345	Intermediate Similarity	NPC231774
0.8345	Intermediate Similarity	NPC1991
0.8344	Intermediate Similarity	NPC24761
0.8344	Intermediate Similarity	NPC290695
0.8344	Intermediate Similarity	NPC228012
0.8344	Intermediate Similarity	NPC5537
0.8344	Intermediate Similarity	NPC106524
0.8333	Intermediate Similarity	NPC186113
0.8333	Intermediate Similarity	NPC74507
0.8333	Intermediate Similarity	NPC202112
0.8333	Intermediate Similarity	NPC51513
0.8333	Intermediate Similarity	NPC285122
0.8333	Intermediate Similarity	NPC234890
0.8323	Intermediate Similarity	NPC283480
0.8323	Intermediate Similarity	NPC478223
0.8323	Intermediate Similarity	NPC148323
0.8322	Intermediate Similarity	NPC478203
0.8322	Intermediate Similarity	NPC126882
0.8322	Intermediate Similarity	NPC210966
0.8322	Intermediate Similarity	NPC477913
0.8322	Intermediate Similarity	NPC314048
0.8322	Intermediate Similarity	NPC29932
0.8321	Intermediate Similarity	NPC300274
0.8312	Intermediate Similarity	NPC137301
0.8312	Intermediate Similarity	NPC478218
0.8311	Intermediate Similarity	NPC329493
0.8311	Intermediate Similarity	NPC471733
0.831	Intermediate Similarity	NPC244699

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC476473 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	240
0.1-0.2	843
0.2-0.3	1332
0.3-0.4	2214
0.4-0.5	2358
0.5-0.6	1409
0.6-0.7	552
0.7-0.8	206
0.8-0.85	5
0.85-0.9	2
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.854	High Similarity	NPD1470	Approved
0.8533	High Similarity	NPD3226	Approved
0.8414	Intermediate Similarity	NPD2346	Discontinued
0.8345	Intermediate Similarity	NPD2935	Discontinued
0.8248	Intermediate Similarity	NPD1201	Approved
0.8112	Intermediate Similarity	NPD3764	Approved
0.8077	Intermediate Similarity	NPD7819	Suspended
0.7988	Intermediate Similarity	NPD8397	Clinical (unspecified phase)
0.7986	Intermediate Similarity	NPD2313	Discontinued
0.7976	Intermediate Similarity	NPD8150	Discontinued
0.7973	Intermediate Similarity	NPD5404	Approved
0.7973	Intermediate Similarity	NPD5406	Approved
0.7973	Intermediate Similarity	NPD5405	Approved
0.7973	Intermediate Similarity	NPD5408	Approved
0.795	Intermediate Similarity	NPD6232	Discontinued
0.7941	Intermediate Similarity	NPD405	Clinical (unspecified phase)
0.7914	Intermediate Similarity	NPD7473	Discontinued
0.7911	Intermediate Similarity	NPD5402	Approved
0.7908	Intermediate Similarity	NPD2532	Approved
0.7908	Intermediate Similarity	NPD2534	Approved
0.7908	Intermediate Similarity	NPD2533	Approved
0.7905	Intermediate Similarity	NPD2799	Discontinued
0.7905	Intermediate Similarity	NPD1509	Clinical (unspecified phase)
0.7895	Intermediate Similarity	NPD7879	Clinical (unspecified phase)
0.7881	Intermediate Similarity	NPD3750	Approved
0.7815	Intermediate Similarity	NPD7421	Clinical (unspecified phase)
0.7798	Intermediate Similarity	NPD8312	Approved
0.7798	Intermediate Similarity	NPD8313	Approved
0.7763	Intermediate Similarity	NPD1878	Clinical (unspecified phase)
0.7748	Intermediate Similarity	NPD970	Clinical (unspecified phase)
0.7736	Intermediate Similarity	NPD2393	Clinical (unspecified phase)
0.7733	Intermediate Similarity	NPD1551	Phase 2
0.7711	Intermediate Similarity	NPD5844	Phase 1
0.7708	Intermediate Similarity	NPD2798	Approved
0.7707	Intermediate Similarity	NPD5808	Clinical (unspecified phase)
0.7702	Intermediate Similarity	NPD7075	Discontinued
0.7681	Intermediate Similarity	NPD9493	Approved
0.7677	Intermediate Similarity	NPD4378	Clinical (unspecified phase)
0.7669	Intermediate Similarity	NPD6959	Discontinued
0.7667	Intermediate Similarity	NPD1510	Phase 2
0.7658	Intermediate Similarity	NPD4380	Phase 2
0.7647	Intermediate Similarity	NPD4628	Phase 3
0.764	Intermediate Similarity	NPD7768	Phase 2
0.7632	Intermediate Similarity	NPD1549	Phase 2
0.7625	Intermediate Similarity	NPD7096	Clinical (unspecified phase)
0.7625	Intermediate Similarity	NPD2801	Approved
0.761	Intermediate Similarity	NPD7411	Suspended
0.7571	Intermediate Similarity	NPD9545	Approved
0.7566	Intermediate Similarity	NPD1552	Clinical (unspecified phase)
0.7566	Intermediate Similarity	NPD1550	Clinical (unspecified phase)
0.7566	Intermediate Similarity	NPD2343	Clinical (unspecified phase)
0.7564	Intermediate Similarity	NPD7422	Clinical (unspecified phase)
0.7562	Intermediate Similarity	NPD1934	Approved
0.755	Intermediate Similarity	NPD3748	Approved
0.7548	Intermediate Similarity	NPD3300	Phase 2
0.7533	Intermediate Similarity	NPD1607	Approved
0.7532	Intermediate Similarity	NPD7003	Approved
0.7532	Intermediate Similarity	NPD8166	Discontinued
0.7532	Intermediate Similarity	NPD6398	Clinical (unspecified phase)
0.7517	Intermediate Similarity	NPD1240	Approved
0.7517	Intermediate Similarity	NPD1203	Approved
0.7516	Intermediate Similarity	NPD6273	Approved
0.75	Intermediate Similarity	NPD1699	Clinical (unspecified phase)
0.75	Intermediate Similarity	NPD2796	Approved
0.75	Intermediate Similarity	NPD7390	Discontinued
0.75	Intermediate Similarity	NPD6535	Approved
0.75	Intermediate Similarity	NPD6534	Approved
0.75	Intermediate Similarity	NPD5494	Approved
0.7485	Intermediate Similarity	NPD3749	Approved
0.7483	Intermediate Similarity	NPD6832	Phase 2
0.7483	Intermediate Similarity	NPD1547	Clinical (unspecified phase)
0.7471	Intermediate Similarity	NPD6559	Discontinued
0.7469	Intermediate Similarity	NPD8443	Clinical (unspecified phase)
0.7468	Intermediate Similarity	NPD5403	Approved
0.7467	Intermediate Similarity	NPD1899	Clinical (unspecified phase)
0.7459	Intermediate Similarity	NPD7435	Discontinued
0.7457	Intermediate Similarity	NPD8434	Phase 2
0.7453	Intermediate Similarity	NPD6844	Discontinued
0.7453	Intermediate Similarity	NPD6801	Discontinued
0.7451	Intermediate Similarity	NPD2344	Approved
0.7443	Intermediate Similarity	NPD6213	Phase 3
0.7443	Intermediate Similarity	NPD6214	Clinical (unspecified phase)
0.7443	Intermediate Similarity	NPD6212	Phase 3
0.7438	Intermediate Similarity	NPD6599	Discontinued
0.7432	Intermediate Similarity	NPD5952	Clinical (unspecified phase)
0.7425	Intermediate Similarity	NPD7852	Clinical (unspecified phase)
0.7423	Intermediate Similarity	NPD4868	Clinical (unspecified phase)
0.7397	Intermediate Similarity	NPD1164	Approved
0.7389	Intermediate Similarity	NPD6781	Approved
0.7389	Intermediate Similarity	NPD6778	Approved
0.7389	Intermediate Similarity	NPD6779	Approved
0.7389	Intermediate Similarity	NPD6780	Approved
0.7389	Intermediate Similarity	NPD6799	Approved
0.7389	Intermediate Similarity	NPD6777	Approved
0.7389	Intermediate Similarity	NPD6782	Approved
0.7389	Intermediate Similarity	NPD6776	Approved
0.7378	Intermediate Similarity	NPD4381	Clinical (unspecified phase)
0.7374	Intermediate Similarity	NPD7700	Phase 2
0.7374	Intermediate Similarity	NPD7699	Phase 2
0.7372	Intermediate Similarity	NPD6190	Approved
0.7362	Intermediate Similarity	NPD3817	Phase 2
0.7353	Intermediate Similarity	NPD2182	Approved
0.7351	Intermediate Similarity	NPD230	Phase 1
0.7351	Intermediate Similarity	NPD447	Suspended
0.7342	Intermediate Similarity	NPD7410	Clinical (unspecified phase)
0.7342	Intermediate Similarity	NPD5401	Approved
0.7342	Intermediate Similarity	NPD7004	Clinical (unspecified phase)
0.7337	Intermediate Similarity	NPD7177	Discontinued
0.7337	Intermediate Similarity	NPD3818	Discontinued
0.7333	Intermediate Similarity	NPD6663	Approved
0.7329	Intermediate Similarity	NPD1283	Approved
0.7326	Intermediate Similarity	NPD4338	Clinical (unspecified phase)
0.732	Intermediate Similarity	NPD7033	Discontinued
0.732	Intermediate Similarity	NPD4308	Phase 3
0.7317	Intermediate Similarity	NPD3882	Suspended
0.7315	Intermediate Similarity	NPD7008	Discontinued
0.731	Intermediate Similarity	NPD1608	Approved
0.731	Intermediate Similarity	NPD9717	Approved
0.7305	Intermediate Similarity	NPD5710	Approved
0.7305	Intermediate Similarity	NPD5711	Approved
0.7297	Intermediate Similarity	NPD5736	Approved
0.7285	Intermediate Similarity	NPD943	Approved
0.7285	Intermediate Similarity	NPD2979	Phase 3
0.7279	Intermediate Similarity	NPD2797	Approved
0.7278	Intermediate Similarity	NPD1511	Approved
0.7268	Intermediate Similarity	NPD7697	Approved
0.7268	Intermediate Similarity	NPD7698	Approved
0.7268	Intermediate Similarity	NPD7696	Phase 3
0.7267	Intermediate Similarity	NPD411	Approved
0.7267	Intermediate Similarity	NPD3268	Approved
0.7267	Intermediate Similarity	NPD7458	Discontinued
0.7261	Intermediate Similarity	NPD2309	Approved
0.7246	Intermediate Similarity	NPD2181	Clinical (unspecified phase)
0.7239	Intermediate Similarity	NPD37	Approved
0.7235	Intermediate Similarity	NPD3751	Discontinued
0.7229	Intermediate Similarity	NPD6234	Discontinued
0.7228	Intermediate Similarity	NPD8319	Approved
0.7228	Intermediate Similarity	NPD7871	Phase 2
0.7228	Intermediate Similarity	NPD8320	Phase 1
0.7228	Intermediate Similarity	NPD7870	Phase 2
0.7226	Intermediate Similarity	NPD1471	Phase 3
0.7222	Intermediate Similarity	NPD4626	Approved
0.7222	Intermediate Similarity	NPD2932	Approved
0.7219	Intermediate Similarity	NPD6166	Phase 2
0.7219	Intermediate Similarity	NPD6167	Clinical (unspecified phase)
0.7219	Intermediate Similarity	NPD7875	Clinical (unspecified phase)
0.7219	Intermediate Similarity	NPD7874	Approved
0.7219	Intermediate Similarity	NPD6168	Clinical (unspecified phase)
0.7213	Intermediate Similarity	NPD6823	Phase 2
0.7212	Intermediate Similarity	NPD4965	Approved
0.7212	Intermediate Similarity	NPD4966	Approved
0.7212	Intermediate Similarity	NPD4967	Phase 2
0.7209	Intermediate Similarity	NPD5953	Discontinued
0.72	Intermediate Similarity	NPD8055	Clinical (unspecified phase)
0.7188	Intermediate Similarity	NPD1512	Approved
0.7181	Intermediate Similarity	NPD2861	Phase 2
0.7172	Intermediate Similarity	NPD3496	Discontinued
0.7171	Intermediate Similarity	NPD4060	Phase 1
0.7163	Intermediate Similarity	NPD5951	Approved
0.7153	Intermediate Similarity	NPD5691	Approved
0.7151	Intermediate Similarity	NPD7074	Phase 3
0.7143	Intermediate Similarity	NPD920	Approved
0.7135	Intermediate Similarity	NPD7893	Clinical (unspecified phase)
0.7134	Intermediate Similarity	NPD2800	Approved
0.7123	Intermediate Similarity	NPD1281	Approved
0.7123	Intermediate Similarity	NPD1611	Approved
0.7114	Intermediate Similarity	NPD6007	Clinical (unspecified phase)
0.7112	Intermediate Similarity	NPD7701	Phase 2
0.7107	Intermediate Similarity	NPD7236	Approved
0.7103	Intermediate Similarity	NPD3412	Clinical (unspecified phase)
0.7103	Intermediate Similarity	NPD3019	Approved
0.7103	Intermediate Similarity	NPD17	Approved
0.7101	Intermediate Similarity	NPD74	Approved
0.7101	Intermediate Similarity	NPD9266	Approved
0.7097	Intermediate Similarity	NPD651	Clinical (unspecified phase)
0.7097	Intermediate Similarity	NPD7211	Clinical (unspecified phase)
0.7095	Intermediate Similarity	NPD1876	Approved
0.7093	Intermediate Similarity	NPD7804	Clinical (unspecified phase)
0.7093	Intermediate Similarity	NPD7054	Approved
0.7093	Intermediate Similarity	NPD7286	Phase 2
0.7091	Intermediate Similarity	NPD1465	Phase 2
0.7063	Intermediate Similarity	NPD6143	Clinical (unspecified phase)
0.7059	Intermediate Similarity	NPD4307	Phase 2
0.7059	Intermediate Similarity	NPD164	Approved
0.7055	Intermediate Similarity	NPD6591	Clinical (unspecified phase)
0.7052	Intermediate Similarity	NPD7472	Approved
0.7051	Intermediate Similarity	NPD4477	Approved
0.7051	Intermediate Similarity	NPD2438	Suspended
0.7051	Intermediate Similarity	NPD6100	Approved
0.7051	Intermediate Similarity	NPD6099	Approved
0.7051	Intermediate Similarity	NPD4476	Approved
0.7039	Intermediate Similarity	NPD6798	Discontinued
0.7039	Intermediate Similarity	NPD6859	Clinical (unspecified phase)
0.7034	Intermediate Similarity	NPD1651	Approved
0.7029	Intermediate Similarity	NPD9267	Approved
0.7029	Intermediate Similarity	NPD9264	Approved
0.7029	Intermediate Similarity	NPD9263	Approved
0.7021	Intermediate Similarity	NPD7635	Approved
0.7019	Intermediate Similarity	NPD642	Clinical (unspecified phase)
0.7013	Intermediate Similarity	NPD1933	Approved

Structure

NPC476473 OpenBabel07101718292D 29 31 0 0 1 0 0 0 0 0999 V2000 1.7321 3.0000 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 6.0622 -1.5000 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 6.0622 -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 5.1962 -0.0000 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 -2.5981 -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 1.7321 1.0000 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 2.5981 2.5000 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 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 -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 1.7321 -0.0000 0.0000 C 0 0 2 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 0.0000 -0.0000 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 -1.7321 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 1.0000 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 0.0000 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 -0.5000 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 4 2 0 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 5 7 2 0 0 0 0 6 14 2 0 0 0 0 7 14 1 0 0 0 0 8 11 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 9 16 1 0 0 0 0 10 17 1 0 0 0 0 12 15 2 0 0 0 0 12 18 1 0 0 0 0 14 23 1 0 0 0 0 15 19 1 0 0 0 0 15 22 1 0 0 0 0 16 20 2 0 0 0 0 16 24 1 0 0 0 0 17 21 2 0 0 0 0 17 25 1 0 0 0 0 18 20 1 0 0 0 0 18 26 2 0 0 0 0 19 11 1 1 0 0 0 19 29 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 27 2 0 0 0 0 23 28 2 0 0 0 0 23 29 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	10475609
ChEMBL	CHEMBL8805
ZINC

Physicochemical Properties

Molecular Weight:	392.13
ALogP:	0.3876
MLogP:	3.33
XLogP:	3.915
# Rotatable Bonds:	10
Polar Surface Area:	100.9
# H-Bond Aceptor:	4
# H-Bond Donor:	2
# Rings:	3
# Heavy Atoms:	29

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