NPASS Natural Product

Natural Product: NPC185127

Natural Product ID:	NPC185127
Common Name:	Edgeworthin
IUPAC Name:	6,7-dihydroxy-3-(2-oxochromen-7-yl)oxychromen-2-one
Synonyms:	edgeworthin
Molecular Formula:	C18H10O7
Standard InCHIKey:	IBZKIELXVOINHR-UHFFFAOYSA-N
Standard InCHI:	InChI=1S/C18H10O7/c19-12-5-10-6-16(18(22)25-15(10)8-13(12)20)23-11-3-1-9-2-4-17(21)24-14(9)7-11/h1-8,19-20H
Canonical SMILES:	O=c1ccc2c(o1)cc(cc2)Oc1cc2cc(O)c(cc2oc1=O)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
NPO15915	Edgeworthia gardneri	Species	Thymelaeaceae	Eukaryota				PMID[15387673]

Biological Activity

Activity Type	# Activity
IC50	1

Activity Type	# Activity
Individual Protein	1

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT2216	Individual Protein	DNA polymerase beta	Rattus norvegicus	IC50	=	94800	nM	18637688

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 NPC185127 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	303
0.1-0.2	1431
0.2-0.3	3698
0.3-0.4	8161
0.4-0.5	4194
0.5-0.6	2829
0.6-0.7	4406
0.7-0.8	5201
0.8-0.85	583
0.85-0.9	55
0.9-0.95	27
0.95-1	1

Similarity Score	Similarity Level	Natural Product ID
0.9784	High Similarity	NPC231149
0.9275	High Similarity	NPC38874
0.922	High Similarity	NPC34245
0.922	High Similarity	NPC7439
0.922	High Similarity	NPC256555
0.922	High Similarity	NPC110067
0.922	High Similarity	NPC91492
0.9191	High Similarity	NPC281558
0.9191	High Similarity	NPC137949
0.9167	High Similarity	NPC48366
0.9137	High Similarity	NPC139548
0.9137	High Similarity	NPC52086
0.9137	High Similarity	NPC95162
0.9137	High Similarity	NPC148835
0.9137	High Similarity	NPC76336
0.9137	High Similarity	NPC20511
0.9103	High Similarity	NPC176903
0.9103	High Similarity	NPC30688
0.9085	High Similarity	NPC236419
0.9071	High Similarity	NPC13067
0.9065	High Similarity	NPC126682
0.9065	High Similarity	NPC82271
0.9041	High Similarity	NPC294522
0.9041	High Similarity	NPC21184
0.9041	High Similarity	NPC205727
0.9041	High Similarity	NPC120426
0.9034	High Similarity	NPC139839
0.9	High Similarity	NPC474886
0.8986	High Similarity	NPC277021
0.8978	High Similarity	NPC73738
0.8966	High Similarity	NPC476347
0.8951	High Similarity	NPC6568
0.8951	High Similarity	NPC230157
0.8921	High Similarity	NPC92830
0.8919	High Similarity	NPC163598
0.8919	High Similarity	NPC264875
0.8919	High Similarity	NPC120774
0.8904	High Similarity	NPC476348
0.8904	High Similarity	NPC187398
0.8849	High Similarity	NPC26673
0.8836	High Similarity	NPC15577
0.8808	High Similarity	NPC284810
0.8803	High Similarity	NPC43500
0.8803	High Similarity	NPC164148
0.8786	High Similarity	NPC111635
0.8767	High Similarity	NPC40222
0.8767	High Similarity	NPC268515
0.8723	High Similarity	NPC234865
0.8707	High Similarity	NPC178129
0.8681	High Similarity	NPC300611
0.8675	High Similarity	NPC8712
0.8662	High Similarity	NPC286843
0.8643	High Similarity	NPC245120
0.8633	High Similarity	NPC244799
0.8633	High Similarity	NPC240722
0.86	High Similarity	NPC213197
0.8591	High Similarity	NPC212670
0.8591	High Similarity	NPC206264
0.8591	High Similarity	NPC313334
0.8582	High Similarity	NPC241341
0.8582	High Similarity	NPC474810
0.8582	High Similarity	NPC233018
0.8582	High Similarity	NPC36437
0.8581	High Similarity	NPC97937
0.8581	High Similarity	NPC275125
0.8581	High Similarity	NPC170239
0.8571	High Similarity	NPC142530
0.8562	High Similarity	NPC138212
0.8561	High Similarity	NPC123127
0.8561	High Similarity	NPC27239
0.8543	High Similarity	NPC176186
0.8543	High Similarity	NPC169404
0.8543	High Similarity	NPC53587
0.8531	High Similarity	NPC167517
0.8531	High Similarity	NPC309031
0.8521	High Similarity	NPC106215
0.8521	High Similarity	NPC474600
0.8521	High Similarity	NPC473054
0.8521	High Similarity	NPC309953
0.8516	High Similarity	NPC301089
0.8511	High Similarity	NPC137669
0.85	High Similarity	NPC91291
0.85	High Similarity	NPC214860
0.8491	Intermediate Similarity	NPC280493
0.8489	Intermediate Similarity	NPC46274
0.8489	Intermediate Similarity	NPC226331
0.8487	Intermediate Similarity	NPC150442
0.8467	Intermediate Similarity	NPC113790
0.8456	Intermediate Similarity	NPC41844
0.8451	Intermediate Similarity	NPC168059
0.8451	Intermediate Similarity	NPC229442
0.8446	Intermediate Similarity	NPC86069
0.8446	Intermediate Similarity	NPC125617
0.844	Intermediate Similarity	NPC147317
0.8431	Intermediate Similarity	NPC268484
0.8429	Intermediate Similarity	NPC45824
0.8417	Intermediate Similarity	NPC250432
0.8417	Intermediate Similarity	NPC5447
0.8411	Intermediate Similarity	NPC114740
0.8406	Intermediate Similarity	NPC168259
0.8403	Intermediate Similarity	NPC471664
0.8403	Intermediate Similarity	NPC471665
0.84	Intermediate Similarity	NPC96294
0.84	Intermediate Similarity	NPC478237
0.8389	Intermediate Similarity	NPC262282
0.8389	Intermediate Similarity	NPC205361
0.8389	Intermediate Similarity	NPC287275
0.838	Intermediate Similarity	NPC202762
0.838	Intermediate Similarity	NPC86655
0.838	Intermediate Similarity	NPC5423
0.838	Intermediate Similarity	NPC319969
0.838	Intermediate Similarity	NPC474635
0.8378	Intermediate Similarity	NPC292443
0.8378	Intermediate Similarity	NPC471763
0.8369	Intermediate Similarity	NPC19242
0.8369	Intermediate Similarity	NPC474481
0.8367	Intermediate Similarity	NPC469564
0.8366	Intermediate Similarity	NPC474656
0.8366	Intermediate Similarity	NPC223720
0.8365	Intermediate Similarity	NPC471823
0.8345	Intermediate Similarity	NPC176051
0.8345	Intermediate Similarity	NPC326797
0.8345	Intermediate Similarity	NPC102904
0.8345	Intermediate Similarity	NPC474282
0.8345	Intermediate Similarity	NPC105493
0.8345	Intermediate Similarity	NPC476171
0.8345	Intermediate Similarity	NPC103976
0.8345	Intermediate Similarity	NPC107551
0.8345	Intermediate Similarity	NPC276328
0.8345	Intermediate Similarity	NPC126206
0.8345	Intermediate Similarity	NPC276490
0.8344	Intermediate Similarity	NPC107636
0.8344	Intermediate Similarity	NPC475250
0.8333	Intermediate Similarity	NPC472521
0.8333	Intermediate Similarity	NPC252095
0.8333	Intermediate Similarity	NPC472337
0.8333	Intermediate Similarity	NPC52740
0.8323	Intermediate Similarity	NPC266960
0.8323	Intermediate Similarity	NPC43243
0.8323	Intermediate Similarity	NPC245546
0.8322	Intermediate Similarity	NPC36490
0.8322	Intermediate Similarity	NPC36661
0.8309	Intermediate Similarity	NPC302107
0.8302	Intermediate Similarity	NPC85057
0.8302	Intermediate Similarity	NPC142614
0.8302	Intermediate Similarity	NPC130920
0.8301	Intermediate Similarity	NPC476352
0.8301	Intermediate Similarity	NPC260895
0.8301	Intermediate Similarity	NPC225731
0.8301	Intermediate Similarity	NPC215060
0.8299	Intermediate Similarity	NPC83375
0.8299	Intermediate Similarity	NPC224876
0.8298	Intermediate Similarity	NPC58164
0.8298	Intermediate Similarity	NPC10225
0.8289	Intermediate Similarity	NPC195351
0.8288	Intermediate Similarity	NPC127218
0.8288	Intermediate Similarity	NPC245207
0.8288	Intermediate Similarity	NPC319647
0.8288	Intermediate Similarity	NPC270256
0.8288	Intermediate Similarity	NPC25966
0.8286	Intermediate Similarity	NPC216836
0.8286	Intermediate Similarity	NPC194841
0.828	Intermediate Similarity	NPC130955
0.8278	Intermediate Similarity	NPC74881
0.8278	Intermediate Similarity	NPC51443
0.8278	Intermediate Similarity	NPC93924
0.8276	Intermediate Similarity	NPC472334
0.8276	Intermediate Similarity	NPC472336
0.8273	Intermediate Similarity	NPC58279
0.8273	Intermediate Similarity	NPC300326
0.8269	Intermediate Similarity	NPC203891
0.8269	Intermediate Similarity	NPC110070
0.8269	Intermediate Similarity	NPC176665
0.8269	Intermediate Similarity	NPC101830
0.8269	Intermediate Similarity	NPC287979
0.8269	Intermediate Similarity	NPC163524
0.8269	Intermediate Similarity	NPC305663
0.8267	Intermediate Similarity	NPC475896
0.8267	Intermediate Similarity	NPC199928
0.8264	Intermediate Similarity	NPC256307
0.8264	Intermediate Similarity	NPC131950
0.8264	Intermediate Similarity	NPC66840
0.8264	Intermediate Similarity	NPC7163
0.8264	Intermediate Similarity	NPC147030
0.8258	Intermediate Similarity	NPC26227
0.8258	Intermediate Similarity	NPC125709
0.8258	Intermediate Similarity	NPC44079
0.8258	Intermediate Similarity	NPC214138
0.8258	Intermediate Similarity	NPC292385
0.8258	Intermediate Similarity	NPC201451
0.8255	Intermediate Similarity	NPC471824
0.8255	Intermediate Similarity	NPC134975
0.8255	Intermediate Similarity	NPC232228
0.8252	Intermediate Similarity	NPC126029
0.8252	Intermediate Similarity	NPC219876
0.8252	Intermediate Similarity	NPC127624
0.8252	Intermediate Similarity	NPC61477
0.8252	Intermediate Similarity	NPC185604
0.8252	Intermediate Similarity	NPC15658
0.8252	Intermediate Similarity	NPC78770

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC185127 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	325
0.1-0.2	911
0.2-0.3	1869
0.3-0.4	2822
0.4-0.5	1640
0.5-0.6	1026
0.6-0.7	442
0.7-0.8	113
0.8-0.85	12
0.85-0.9	1
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.8591	High Similarity	NPD1653	Approved
0.8489	Intermediate Similarity	NPD1529	Clinical (unspecified phase)
0.8417	Intermediate Similarity	NPD1530	Clinical (unspecified phase)
0.8252	Intermediate Similarity	NPD1613	Approved
0.8252	Intermediate Similarity	NPD1612	Clinical (unspecified phase)
0.8212	Intermediate Similarity	NPD1512	Approved
0.8141	Intermediate Similarity	NPD5402	Approved
0.8116	Intermediate Similarity	NPD422	Phase 1
0.8089	Intermediate Similarity	NPD4868	Clinical (unspecified phase)
0.8079	Intermediate Similarity	NPD1511	Approved
0.8077	Intermediate Similarity	NPD2801	Approved
0.8061	Intermediate Similarity	NPD4338	Clinical (unspecified phase)
0.8025	Intermediate Similarity	NPD3817	Phase 2
0.7962	Intermediate Similarity	NPD1465	Phase 2
0.7943	Intermediate Similarity	NPD3225	Approved
0.7881	Intermediate Similarity	NPD3750	Approved
0.7862	Intermediate Similarity	NPD3882	Suspended
0.7829	Intermediate Similarity	NPD6190	Approved
0.7806	Intermediate Similarity	NPD5403	Approved
0.7793	Intermediate Similarity	NPD3027	Phase 3
0.7792	Intermediate Similarity	NPD5401	Approved
0.7785	Intermediate Similarity	NPD1934	Approved
0.7725	Intermediate Similarity	NPD7993	Clinical (unspecified phase)
0.7725	Intermediate Similarity	NPD6797	Phase 2
0.7711	Intermediate Similarity	NPD5844	Phase 1
0.7698	Intermediate Similarity	NPD1548	Phase 1
0.7679	Intermediate Similarity	NPD7251	Discontinued
0.7636	Intermediate Similarity	NPD6166	Phase 2
0.7636	Intermediate Similarity	NPD6167	Clinical (unspecified phase)
0.7636	Intermediate Similarity	NPD6168	Clinical (unspecified phase)
0.7635	Intermediate Similarity	NPD4060	Phase 1
0.7633	Intermediate Similarity	NPD7549	Discontinued
0.7625	Intermediate Similarity	NPD2393	Clinical (unspecified phase)
0.7613	Intermediate Similarity	NPD6799	Approved
0.7593	Intermediate Similarity	NPD7075	Discontinued
0.7584	Intermediate Similarity	NPD5123	Clinical (unspecified phase)
0.7584	Intermediate Similarity	NPD4340	Discontinued
0.7584	Intermediate Similarity	NPD5124	Phase 1
0.7582	Intermediate Similarity	NPD1652	Phase 2
0.7566	Intermediate Similarity	NPD7266	Discontinued
0.755	Intermediate Similarity	NPD3748	Approved
0.7545	Intermediate Similarity	NPD3818	Discontinued
0.7529	Intermediate Similarity	NPD7808	Phase 3
0.7516	Intermediate Similarity	NPD7096	Clinical (unspecified phase)
0.7516	Intermediate Similarity	NPD1940	Clinical (unspecified phase)
0.75	Intermediate Similarity	NPD4379	Clinical (unspecified phase)
0.75	Intermediate Similarity	NPD7054	Approved
0.7483	Intermediate Similarity	NPD1610	Phase 2
0.7483	Intermediate Similarity	NPD4908	Phase 1
0.7467	Intermediate Similarity	NPD447	Suspended
0.7467	Intermediate Similarity	NPD230	Phase 1
0.7456	Intermediate Similarity	NPD7472	Approved
0.7453	Intermediate Similarity	NPD6801	Discontinued
0.7452	Intermediate Similarity	NPD4378	Clinical (unspecified phase)
0.745	Intermediate Similarity	NPD6233	Phase 2
0.7432	Intermediate Similarity	NPD7095	Approved
0.7386	Intermediate Similarity	NPD1551	Phase 2
0.7383	Intermediate Similarity	NPD4907	Clinical (unspecified phase)
0.7383	Intermediate Similarity	NPD6859	Clinical (unspecified phase)
0.7378	Intermediate Similarity	NPD4381	Clinical (unspecified phase)
0.7365	Intermediate Similarity	NPD7184	Clinical (unspecified phase)
0.7353	Intermediate Similarity	NPD7074	Phase 3
0.7337	Intermediate Similarity	NPD3751	Discontinued
0.7333	Intermediate Similarity	NPD919	Approved
0.7329	Intermediate Similarity	NPD6599	Discontinued
0.7329	Intermediate Similarity	NPD4380	Phase 2
0.7308	Intermediate Similarity	NPD6398	Clinical (unspecified phase)
0.7297	Intermediate Similarity	NPD2861	Phase 2
0.7297	Intermediate Similarity	NPD3018	Phase 2
0.7292	Intermediate Similarity	NPD3496	Discontinued
0.7279	Intermediate Similarity	NPD2797	Approved
0.7279	Intermediate Similarity	NPD1203	Approved
0.7273	Intermediate Similarity	NPD2935	Discontinued
0.7267	Intermediate Similarity	NPD6798	Discontinued
0.7248	Intermediate Similarity	NPD1008	Clinical (unspecified phase)
0.7229	Intermediate Similarity	NPD6234	Discontinued
0.7208	Intermediate Similarity	NPD1510	Phase 2
0.7202	Intermediate Similarity	NPD6232	Discontinued
0.72	Intermediate Similarity	NPD4625	Phase 3
0.7193	Intermediate Similarity	NPD7804	Clinical (unspecified phase)
0.7186	Intermediate Similarity	NPD5494	Approved
0.7179	Intermediate Similarity	NPD970	Clinical (unspecified phase)
0.7179	Intermediate Similarity	NPD1549	Phase 2
0.7169	Intermediate Similarity	NPD3749	Approved
0.7152	Intermediate Similarity	NPD3268	Approved
0.7152	Intermediate Similarity	NPD1296	Phase 2
0.7143	Intermediate Similarity	NPD2983	Phase 2
0.7143	Intermediate Similarity	NPD7199	Phase 2
0.7143	Intermediate Similarity	NPD2982	Phase 2
0.7143	Intermediate Similarity	NPD1247	Approved
0.7143	Intermediate Similarity	NPD4749	Approved
0.7132	Intermediate Similarity	NPD9697	Approved
0.7125	Intermediate Similarity	NPD7410	Clinical (unspecified phase)
0.7124	Intermediate Similarity	NPD6355	Discontinued
0.7123	Intermediate Similarity	NPD1535	Discovery
0.7115	Intermediate Similarity	NPD1552	Clinical (unspecified phase)
0.7115	Intermediate Similarity	NPD1550	Clinical (unspecified phase)
0.7108	Intermediate Similarity	NPD7768	Phase 2
0.7102	Intermediate Similarity	NPD8055	Clinical (unspecified phase)
0.7101	Intermediate Similarity	NPD3787	Discontinued
0.7097	Intermediate Similarity	NPD4308	Phase 3
0.7091	Intermediate Similarity	NPD7819	Suspended
0.7076	Intermediate Similarity	NPD7473	Discontinued
0.7075	Intermediate Similarity	NPD9269	Phase 2
0.7075	Intermediate Similarity	NPD1481	Phase 2
0.7075	Intermediate Similarity	NPD2981	Phase 2
0.7073	Intermediate Similarity	NPD7411	Suspended
0.7071	Intermediate Similarity	NPD228	Approved
0.7063	Intermediate Similarity	NPD6143	Clinical (unspecified phase)
0.7063	Intermediate Similarity	NPD4357	Discontinued
0.7059	Intermediate Similarity	NPD1558	Phase 1
0.7059	Intermediate Similarity	NPD943	Approved
0.7048	Intermediate Similarity	NPD4288	Approved
0.7037	Intermediate Similarity	NPD6980	Clinical (unspecified phase)
0.7035	Intermediate Similarity	NPD7228	Approved
0.703	Intermediate Similarity	NPD37	Approved
0.7021	Intermediate Similarity	NPD5535	Approved
0.7014	Intermediate Similarity	NPD5536	Phase 2
0.7013	Intermediate Similarity	NPD1933	Approved
0.7007	Intermediate Similarity	NPD1091	Approved
0.7007	Intermediate Similarity	NPD1611	Approved
0.7006	Intermediate Similarity	NPD5763	Approved
0.7006	Intermediate Similarity	NPD4967	Phase 2
0.7006	Intermediate Similarity	NPD5762	Approved
0.7006	Intermediate Similarity	NPD4965	Approved
0.7006	Intermediate Similarity	NPD4966	Approved
0.6993	Remote Similarity	NPD6671	Approved
0.6981	Remote Similarity	NPD4628	Phase 3
0.6971	Remote Similarity	NPD6559	Discontinued
0.6959	Remote Similarity	NPD9717	Approved
0.6957	Remote Similarity	NPD968	Approved
0.6948	Remote Similarity	NPD1240	Approved
0.6943	Remote Similarity	NPD2796	Approved
0.6933	Remote Similarity	NPD3266	Approved
0.6933	Remote Similarity	NPD3267	Approved
0.6928	Remote Similarity	NPD2313	Discontinued
0.6918	Remote Similarity	NPD7421	Clinical (unspecified phase)
0.6903	Remote Similarity	NPD1899	Clinical (unspecified phase)
0.6889	Remote Similarity	NPD8397	Clinical (unspecified phase)
0.6883	Remote Similarity	NPD4062	Phase 3
0.6882	Remote Similarity	NPD5677	Discontinued
0.6879	Remote Similarity	NPD651	Clinical (unspecified phase)
0.6875	Remote Similarity	NPD7685	Pre-registration
0.6875	Remote Similarity	NPD1878	Clinical (unspecified phase)
0.6871	Remote Similarity	NPD7314	Clinical (unspecified phase)
0.6859	Remote Similarity	NPD1607	Approved
0.6848	Remote Similarity	NPD3226	Approved
0.6846	Remote Similarity	NPD1608	Approved
0.6842	Remote Similarity	NPD8127	Discontinued
0.6839	Remote Similarity	NPD4307	Phase 2
0.6838	Remote Similarity	NPD1242	Phase 1
0.6835	Remote Similarity	NPD6099	Approved
0.6835	Remote Similarity	NPD6100	Approved
0.6821	Remote Similarity	NPD7852	Clinical (unspecified phase)
0.6818	Remote Similarity	NPD6410	Clinical (unspecified phase)
0.6818	Remote Similarity	NPD411	Approved
0.6813	Remote Similarity	NPD7879	Clinical (unspecified phase)
0.6813	Remote Similarity	NPD1243	Approved
0.681	Remote Similarity	NPD7447	Phase 1
0.681	Remote Similarity	NPD7004	Clinical (unspecified phase)
0.6807	Remote Similarity	NPD4675	Approved
0.6807	Remote Similarity	NPD4678	Approved
0.6803	Remote Similarity	NPD9268	Approved
0.6792	Remote Similarity	NPD3540	Phase 1
0.6786	Remote Similarity	NPD1358	Approved
0.6772	Remote Similarity	NPD7033	Discontinued
0.6766	Remote Similarity	NPD7615	Clinical (unspecified phase)
0.6766	Remote Similarity	NPD5089	Approved
0.6766	Remote Similarity	NPD5090	Approved
0.6765	Remote Similarity	NPD6971	Discontinued
0.6763	Remote Similarity	NPD3926	Phase 2
0.6757	Remote Similarity	NPD1778	Approved
0.6757	Remote Similarity	NPD4626	Approved
0.6748	Remote Similarity	NPD7213	Phase 3
0.6748	Remote Similarity	NPD7212	Phase 2
0.6746	Remote Similarity	NPD8443	Clinical (unspecified phase)
0.6736	Remote Similarity	NPD5283	Phase 1
0.6732	Remote Similarity	NPD9494	Approved
0.673	Remote Similarity	NPD3539	Phase 1
0.6728	Remote Similarity	NPD2354	Approved
0.6727	Remote Similarity	NPD920	Approved
0.6724	Remote Similarity	NPD7784	Clinical (unspecified phase)
0.6711	Remote Similarity	NPD987	Approved
0.671	Remote Similarity	NPD1048	Approved
0.671	Remote Similarity	NPD3764	Approved
0.6708	Remote Similarity	NPD6674	Discontinued
0.6708	Remote Similarity	NPD5698	Clinical (unspecified phase)
0.6707	Remote Similarity	NPD3536	Discontinued
0.6707	Remote Similarity	NPD7446	Clinical (unspecified phase)
0.6707	Remote Similarity	NPD642	Clinical (unspecified phase)
0.669	Remote Similarity	NPD3022	Approved
0.669	Remote Similarity	NPD3021	Approved
0.6688	Remote Similarity	NPD6832	Phase 2
0.6687	Remote Similarity	NPD3687	Approved
0.6687	Remote Similarity	NPD3686	Approved
0.6687	Remote Similarity	NPD643	Clinical (unspecified phase)
0.6687	Remote Similarity	NPD2346	Discontinued
0.6686	Remote Similarity	NPD8455	Phase 2
0.6686	Remote Similarity	NPD4666	Phase 3
0.6667	Remote Similarity	NPD5049	Phase 3

Structure

NPC185127 OpenBabel07101718192D 25 28 0 0 0 0 0 0 0 0999 V2000 -4.3301 1.5000 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 -3.4641 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9282 1.0000 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 -1.7321 1.0000 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 1.5000 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 -0.8660 1.5000 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 -0.0000 3.0000 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 -5.1962 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 1.0000 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 -6.9282 -0.0000 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 -0.0000 4.0000 0.0000 O 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 -7.7942 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 -1.5000 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 -6.0622 -0.5000 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 3 2 0 0 0 0 1 9 1 0 0 0 0 2 4 2 0 0 0 0 2 9 1 0 0 0 0 3 11 1 0 0 0 0 4 17 1 0 0 0 0 5 10 1 0 0 0 0 5 12 2 0 0 0 0 6 10 1 0 0 0 0 6 16 2 0 0 0 0 7 11 2 0 0 0 0 7 14 1 0 0 0 0 8 13 2 0 0 0 0 8 15 1 0 0 0 0 9 14 2 0 0 0 0 10 15 2 0 0 0 0 11 23 1 0 0 0 0 12 13 1 0 0 0 0 12 19 1 0 0 0 0 13 20 1 0 0 0 0 14 24 1 0 0 0 0 15 25 1 0 0 0 0 16 18 1 0 0 0 0 16 23 1 0 0 0 0 17 21 2 0 0 0 0 17 24 1 0 0 0 0 18 22 2 0 0 0 0 18 25 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	5491526
ChEMBL	CHEMBL462972
ZINC

Physicochemical Properties

Molecular Weight:	338.04
ALogP:	-0.8748
MLogP:	2.67
XLogP:	3.269
# Rotatable Bonds:	4
Polar Surface Area:	102.29
# H-Bond Aceptor:	2
# H-Bond Donor:	2
# Rings:	4
# Heavy Atoms:	25

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