NPASS Natural Product

Natural Product: NPC284810

Natural Product ID:	NPC284810
Common Name:	Daphnorin
IUPAC Name:	6-methoxy-3-(2-oxochromen-7-yl)oxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
Synonyms:	Daphnorin
Molecular Formula:	C25H22O12
Standard InCHIKey:	WYIIRKFHBPIFQZ-FGBFUVBKSA-N
Standard InCHI:	InChI=1S/C25H22O12/c1-32-16-6-12-7-18(33-13-4-2-11-3-5-20(27)34-14(11)8-13)24(31)35-15(12)9-17(16)36-25-23(30)22(29)21(28)19(10-26)37-25/h2-9,19,21-23,25-26,28-30H,10H2,1H3/t19-,21-,22+,23-,25-/m1/s1
Canonical SMILES:	OC[C@H]1O[C@@H](Oc2cc3oc(=O)c(cc3cc2OC)Oc2ccc3c(c2)oc(=O)cc3)[C@@H]([C@H]([C@@H]1O)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
NPO5227	Lawsonia inermis	Species	Lythraceae	Eukaryota	Leaves			PMID[20634065]

Biological Activity

Activity Type	# Activity
AC50	1
IC50	2
Others	1
Potency	12

Activity Type	# Activity
Individual Protein	13
Others	3

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT2	Others	Unspecified		Potency		31622.8	nM	21924799
NPT444	Individual Protein	Ubiquitin carboxyl-terminal hydrolase 1	Homo sapiens	Potency		44668.4	nM	16499313
NPT831	Individual Protein	Serine/threonine-protein kinase PLK1	Homo sapiens	Potency		26679.5	nM	24180210
NPT199	Individual Protein	DNA polymerase kappa	Homo sapiens	Potency		44668.4	nM	19193025
NPT2	Others	Unspecified		IC50	>	99000	nM	18052030
NPT698	Individual Protein	Regulator of G-protein signaling 4	Homo sapiens	Potency		44668.4	nM	10924160
NPT864	Individual Protein	Lethal(3)malignant brain tumor-like protein 1	Homo sapiens	Potency	=	31622.8	nM	13678412
NPT755	Individual Protein	Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1	Homo sapiens	Potency		44668.4	nM	17315963
NPT100	Individual Protein	Glutaminase kidney isoform, mitochondrial	Homo sapiens	Potency		17782.8	nM	DrugMatrix in vitro pharmacology data
NPT2752	Individual Protein	DNA (cytosine-5)-methyltransferase 1	Homo sapiens	IC50	=	7560	nM	19128055
NPT821	Individual Protein	Werner syndrome ATP-dependent helicase	Homo sapiens	Potency		35481.3	nM	10.6019/CHEMBL1201861
NPT2	Others	Unspecified		Inhibition	=	13	%	16562840
NPT2953	Individual Protein	Acyl-CoA synthase	Mycobacterium tuberculosis	AC50		87230	nM	15646539
NPT9	Individual Protein	DNA polymerase eta	Homo sapiens	Potency		8912.5	nM	16643049
NPT50	Individual Protein	Tyrosyl-DNA phosphodiesterase 1	Homo sapiens	Potency	=	25118.9	nM	26005918
NPT8	Individual Protein	DNA polymerase iota	Homo sapiens	Potency		50118.7	nM	22834923

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 NPC284810 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	289
0.1-0.2	1241
0.2-0.3	2986
0.3-0.4	6956
0.4-0.5	5938
0.5-0.6	3433
0.6-0.7	4537
0.7-0.8	4468
0.8-0.85	909
0.85-0.9	108
0.9-0.95	24
0.95-1	0

Similarity Score	Similarity Level	Natural Product ID
0.9467	High Similarity	NPC215060
0.9467	High Similarity	NPC476352
0.9463	High Similarity	NPC114740
0.9459	High Similarity	NPC96294
0.9329	High Similarity	NPC93924
0.9272	High Similarity	NPC213197
0.9262	High Similarity	NPC15577
0.9262	High Similarity	NPC52740
0.915	High Similarity	NPC150442
0.9139	High Similarity	NPC212670
0.9139	High Similarity	NPC206264
0.9139	High Similarity	NPC313334
0.9085	High Similarity	NPC53587
0.9085	High Similarity	NPC169404
0.9085	High Similarity	NPC176186
0.9079	High Similarity	NPC294522
0.9079	High Similarity	NPC120426
0.9079	High Similarity	NPC21184
0.9079	High Similarity	NPC205727
0.9073	High Similarity	NPC478237
0.9013	High Similarity	NPC30688
0.9013	High Similarity	NPC176903
0.9007	High Similarity	NPC231149
0.9007	High Similarity	NPC41844
0.8961	High Similarity	NPC120774
0.8961	High Similarity	NPC264875
0.8961	High Similarity	NPC163598
0.8947	High Similarity	NPC187398
0.8947	High Similarity	NPC476348
0.894	High Similarity	NPC199928
0.8889	High Similarity	NPC106138
0.8882	High Similarity	NPC476347
0.8874	High Similarity	NPC476450
0.8859	High Similarity	NPC300611
0.8839	High Similarity	NPC470264
0.8808	High Similarity	NPC232228
0.8808	High Similarity	NPC292443
0.8808	High Similarity	NPC185127
0.88	High Similarity	NPC145319
0.875	High Similarity	NPC226722
0.8742	High Similarity	NPC138212
0.8742	High Similarity	NPC252169
0.8742	High Similarity	NPC478239
0.8727	High Similarity	NPC163165
0.8725	High Similarity	NPC43500
0.8725	High Similarity	NPC164148
0.8716	High Similarity	NPC103409
0.8693	High Similarity	NPC205361
0.8675	High Similarity	NPC475084
0.8675	High Similarity	NPC157816
0.8675	High Similarity	NPC264735
0.8667	High Similarity	NPC210478
0.8639	High Similarity	NPC36138
0.8636	High Similarity	NPC471764
0.8636	High Similarity	NPC87950
0.8636	High Similarity	NPC227902
0.8627	High Similarity	NPC85624
0.8623	High Similarity	NPC198324
0.8623	High Similarity	NPC472385
0.8609	High Similarity	NPC476442
0.8609	High Similarity	NPC215512
0.8609	High Similarity	NPC186406
0.8608	High Similarity	NPC8712
0.8599	High Similarity	NPC302610
0.8591	High Similarity	NPC104167
0.8591	High Similarity	NPC37468
0.8588	High Similarity	NPC470416
0.8581	High Similarity	NPC309953
0.8581	High Similarity	NPC48366
0.8581	High Similarity	NPC175976
0.8571	High Similarity	NPC139571
0.8571	High Similarity	NPC476865
0.8571	High Similarity	NPC477895
0.8571	High Similarity	NPC217520
0.8571	High Similarity	NPC125755
0.8563	High Similarity	NPC43211
0.8563	High Similarity	NPC115760
0.8563	High Similarity	NPC237435
0.8563	High Similarity	NPC477848
0.8563	High Similarity	NPC169645
0.8563	High Similarity	NPC210094
0.8563	High Similarity	NPC49344
0.8563	High Similarity	NPC135277
0.8563	High Similarity	NPC101191
0.8563	High Similarity	NPC84482
0.8554	High Similarity	NPC153755
0.8553	High Similarity	NPC140502
0.8533	High Similarity	NPC20796
0.8533	High Similarity	NPC124149
0.8529	High Similarity	NPC470449
0.8529	High Similarity	NPC470446
0.8529	High Similarity	NPC470445
0.8529	High Similarity	NPC470447
0.8526	High Similarity	NPC283839
0.8526	High Similarity	NPC90896
0.8519	High Similarity	NPC311803
0.8519	High Similarity	NPC472859
0.8519	High Similarity	NPC25389
0.8516	High Similarity	NPC15538
0.8516	High Similarity	NPC232992
0.8516	High Similarity	NPC296377
0.8516	High Similarity	NPC473480
0.8514	High Similarity	NPC233018
0.8514	High Similarity	NPC241341
0.8514	High Similarity	NPC36437
0.8512	High Similarity	NPC211532
0.8512	High Similarity	NPC472380
0.8512	High Similarity	NPC472384
0.8512	High Similarity	NPC233994
0.8512	High Similarity	NPC472382
0.8509	High Similarity	NPC173726
0.8509	High Similarity	NPC241600
0.8506	High Similarity	NPC476864
0.8506	High Similarity	NPC138915
0.8506	High Similarity	NPC252292
0.8506	High Similarity	NPC476866
0.8506	High Similarity	NPC161700
0.8506	High Similarity	NPC100998
0.8506	High Similarity	NPC475096
0.8506	High Similarity	NPC476868
0.8506	High Similarity	NPC476869
0.8506	High Similarity	NPC34927
0.8506	High Similarity	NPC476382
0.8506	High Similarity	NPC34587
0.8506	High Similarity	NPC277867
0.8503	High Similarity	NPC101026
0.8503	High Similarity	NPC42773
0.8503	High Similarity	NPC21666
0.8503	High Similarity	NPC45522
0.8503	High Similarity	NPC169977
0.8503	High Similarity	NPC24043
0.8503	High Similarity	NPC4390
0.8497	Intermediate Similarity	NPC7439
0.8497	Intermediate Similarity	NPC110067
0.8497	Intermediate Similarity	NPC91492
0.8497	Intermediate Similarity	NPC256555
0.8497	Intermediate Similarity	NPC34245
0.8494	Intermediate Similarity	NPC206123
0.8494	Intermediate Similarity	NPC116864
0.8494	Intermediate Similarity	NPC244776
0.8485	Intermediate Similarity	NPC135345
0.8481	Intermediate Similarity	NPC289967
0.8481	Intermediate Similarity	NPC472611
0.8481	Intermediate Similarity	NPC472612
0.848	Intermediate Similarity	NPC470455
0.848	Intermediate Similarity	NPC470451
0.8477	Intermediate Similarity	NPC13067
0.8477	Intermediate Similarity	NPC100389
0.8477	Intermediate Similarity	NPC212770
0.8477	Intermediate Similarity	NPC98777
0.8471	Intermediate Similarity	NPC476871
0.8471	Intermediate Similarity	NPC238140
0.8467	Intermediate Similarity	NPC286843
0.8467	Intermediate Similarity	NPC166180
0.8462	Intermediate Similarity	NPC173837
0.8462	Intermediate Similarity	NPC169510
0.8462	Intermediate Similarity	NPC35167
0.8457	Intermediate Similarity	NPC166277
0.8457	Intermediate Similarity	NPC119125
0.8456	Intermediate Similarity	NPC474600
0.8452	Intermediate Similarity	NPC81042
0.8452	Intermediate Similarity	NPC99515
0.8452	Intermediate Similarity	NPC268515
0.8452	Intermediate Similarity	NPC223426
0.8452	Intermediate Similarity	NPC214621
0.8452	Intermediate Similarity	NPC34267
0.8452	Intermediate Similarity	NPC40222
0.8452	Intermediate Similarity	NPC190714
0.8446	Intermediate Similarity	NPC137669
0.8446	Intermediate Similarity	NPC162093
0.8443	Intermediate Similarity	NPC117260
0.8443	Intermediate Similarity	NPC254540
0.8443	Intermediate Similarity	NPC211594
0.8443	Intermediate Similarity	NPC190003
0.8443	Intermediate Similarity	NPC172807
0.8443	Intermediate Similarity	NPC475155
0.8443	Intermediate Similarity	NPC476405
0.8443	Intermediate Similarity	NPC175107
0.8442	Intermediate Similarity	NPC168579
0.8442	Intermediate Similarity	NPC76176
0.8442	Intermediate Similarity	NPC469313
0.8442	Intermediate Similarity	NPC297342
0.8442	Intermediate Similarity	NPC138227
0.8442	Intermediate Similarity	NPC476867
0.8434	Intermediate Similarity	NPC225434
0.8434	Intermediate Similarity	NPC203050
0.8434	Intermediate Similarity	NPC223747
0.8434	Intermediate Similarity	NPC120099
0.8434	Intermediate Similarity	NPC219904
0.8431	Intermediate Similarity	NPC469559
0.8431	Intermediate Similarity	NPC189115
0.8431	Intermediate Similarity	NPC473792
0.8431	Intermediate Similarity	NPC473873
0.8428	Intermediate Similarity	NPC246893
0.8428	Intermediate Similarity	NPC78809
0.8421	Intermediate Similarity	NPC202700
0.8415	Intermediate Similarity	NPC121290
0.8412	Intermediate Similarity	NPC110941
0.8412	Intermediate Similarity	NPC473571
0.8412	Intermediate Similarity	NPC470444

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC284810 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	280
0.1-0.2	880
0.2-0.3	1863
0.3-0.4	2823
0.4-0.5	1756
0.5-0.6	993
0.6-0.7	458
0.7-0.8	97
0.8-0.85	9
0.85-0.9	1
0.9-0.95	1
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.9139	High Similarity	NPD1653	Approved
0.8563	High Similarity	NPD4338	Clinical (unspecified phase)
0.8343	Intermediate Similarity	NPD7808	Phase 3
0.8333	Intermediate Similarity	NPD6797	Phase 2
0.8284	Intermediate Similarity	NPD7251	Discontinued
0.8214	Intermediate Similarity	NPD7054	Approved
0.8166	Intermediate Similarity	NPD7472	Approved
0.8117	Intermediate Similarity	NPD7266	Discontinued
0.8098	Intermediate Similarity	NPD3817	Phase 2
0.8098	Intermediate Similarity	NPD5402	Approved
0.8059	Intermediate Similarity	NPD7074	Phase 3
0.7941	Intermediate Similarity	NPD3818	Discontinued
0.7895	Intermediate Similarity	NPD7804	Clinical (unspecified phase)
0.7895	Intermediate Similarity	NPD5844	Phase 1
0.7892	Intermediate Similarity	NPD4381	Clinical (unspecified phase)
0.787	Intermediate Similarity	NPD7184	Clinical (unspecified phase)
0.7843	Intermediate Similarity	NPD1612	Clinical (unspecified phase)
0.7843	Intermediate Similarity	NPD1613	Approved
0.7831	Intermediate Similarity	NPD4868	Clinical (unspecified phase)
0.7824	Intermediate Similarity	NPD6166	Phase 2
0.7824	Intermediate Similarity	NPD6168	Clinical (unspecified phase)
0.7824	Intermediate Similarity	NPD6167	Clinical (unspecified phase)
0.7785	Intermediate Similarity	NPD1652	Phase 2
0.7778	Intermediate Similarity	NPD5403	Approved
0.7764	Intermediate Similarity	NPD5401	Approved
0.7751	Intermediate Similarity	NPD7199	Phase 2
0.7733	Intermediate Similarity	NPD7228	Approved
0.7714	Intermediate Similarity	NPD7549	Discontinued
0.7701	Intermediate Similarity	NPD7993	Clinical (unspecified phase)
0.7677	Intermediate Similarity	NPD5123	Clinical (unspecified phase)
0.7677	Intermediate Similarity	NPD5124	Phase 1
0.7651	Intermediate Similarity	NPD37	Approved
0.7647	Intermediate Similarity	NPD3027	Phase 3
0.763	Intermediate Similarity	NPD3751	Discontinued
0.7619	Intermediate Similarity	NPD4967	Phase 2
0.7619	Intermediate Similarity	NPD4965	Approved
0.7619	Intermediate Similarity	NPD4966	Approved
0.7605	Intermediate Similarity	NPD7096	Clinical (unspecified phase)
0.7605	Intermediate Similarity	NPD2801	Approved
0.7602	Intermediate Similarity	NPD3787	Discontinued
0.7584	Intermediate Similarity	NPD1091	Approved
0.7582	Intermediate Similarity	NPD1529	Clinical (unspecified phase)
0.7578	Intermediate Similarity	NPD6190	Approved
0.7574	Intermediate Similarity	NPD7075	Discontinued
0.7562	Intermediate Similarity	NPD6674	Discontinued
0.7557	Intermediate Similarity	NPD6559	Discontinued
0.7557	Intermediate Similarity	NPD7240	Approved
0.7545	Intermediate Similarity	NPD6801	Discontinued
0.7545	Intermediate Similarity	NPD1934	Approved
0.7529	Intermediate Similarity	NPD6234	Discontinued
0.7516	Intermediate Similarity	NPD1530	Clinical (unspecified phase)
0.7515	Intermediate Similarity	NPD3882	Suspended
0.75	Intermediate Similarity	NPD8455	Phase 2
0.7485	Intermediate Similarity	NPD6799	Approved
0.7473	Intermediate Similarity	NPD7879	Clinical (unspecified phase)
0.7458	Intermediate Similarity	NPD7685	Pre-registration
0.7455	Intermediate Similarity	NPD6980	Clinical (unspecified phase)
0.7436	Intermediate Similarity	NPD6233	Phase 2
0.7396	Intermediate Similarity	NPD1465	Phase 2
0.7396	Intermediate Similarity	NPD2393	Clinical (unspecified phase)
0.7389	Intermediate Similarity	NPD8055	Clinical (unspecified phase)
0.7384	Intermediate Similarity	NPD5494	Approved
0.7351	Intermediate Similarity	NPD422	Phase 1
0.7321	Intermediate Similarity	NPD4380	Phase 2
0.729	Intermediate Similarity	NPD3018	Phase 2
0.7289	Intermediate Similarity	NPD1512	Approved
0.7289	Intermediate Similarity	NPD1940	Clinical (unspecified phase)
0.7278	Intermediate Similarity	NPD4060	Phase 1
0.7273	Intermediate Similarity	NPD6143	Clinical (unspecified phase)
0.7261	Intermediate Similarity	NPD6859	Clinical (unspecified phase)
0.7261	Intermediate Similarity	NPD6798	Discontinued
0.7244	Intermediate Similarity	NPD4908	Phase 1
0.7233	Intermediate Similarity	NPD4340	Discontinued
0.7233	Intermediate Similarity	NPD1933	Approved
0.7225	Intermediate Similarity	NPD919	Approved
0.7219	Intermediate Similarity	NPD6599	Discontinued
0.7213	Intermediate Similarity	NPD6842	Approved
0.7213	Intermediate Similarity	NPD6841	Approved
0.7213	Intermediate Similarity	NPD6843	Phase 3
0.7208	Intermediate Similarity	NPD3225	Approved
0.7193	Intermediate Similarity	NPD7819	Suspended
0.7174	Intermediate Similarity	NPD8397	Clinical (unspecified phase)
0.7169	Intermediate Similarity	NPD1511	Approved
0.7152	Intermediate Similarity	NPD4907	Clinical (unspecified phase)
0.7143	Intermediate Similarity	NPD7097	Phase 1
0.7143	Intermediate Similarity	NPD2983	Phase 2
0.7143	Intermediate Similarity	NPD8127	Discontinued
0.7143	Intermediate Similarity	NPD2982	Phase 2
0.7125	Intermediate Similarity	NPD6355	Discontinued
0.7117	Intermediate Similarity	NPD5762	Approved
0.7117	Intermediate Similarity	NPD5763	Approved
0.7091	Intermediate Similarity	NPD3750	Approved
0.7089	Intermediate Similarity	NPD7095	Approved
0.7088	Intermediate Similarity	NPD8312	Approved
0.7088	Intermediate Similarity	NPD8313	Approved
0.7086	Intermediate Similarity	NPD1548	Phase 1
0.7083	Intermediate Similarity	NPD7435	Discontinued
0.7078	Intermediate Similarity	NPD2981	Phase 2
0.7076	Intermediate Similarity	NPD7411	Suspended
0.707	Intermediate Similarity	NPD2861	Phase 2
0.7059	Intermediate Similarity	NPD3496	Discontinued
0.7045	Intermediate Similarity	NPD1247	Approved
0.7032	Intermediate Similarity	NPD4379	Clinical (unspecified phase)
0.7024	Intermediate Similarity	NPD4378	Clinical (unspecified phase)
0.7019	Intermediate Similarity	NPD447	Suspended
0.7013	Intermediate Similarity	NPD3705	Approved
0.7013	Intermediate Similarity	NPD1610	Phase 2
0.7006	Intermediate Similarity	NPD6232	Discontinued
0.6994	Remote Similarity	NPD3748	Approved
0.6988	Remote Similarity	NPD4628	Phase 3
0.6971	Remote Similarity	NPD7975	Clinical (unspecified phase)
0.6963	Remote Similarity	NPD7237	Clinical (unspecified phase)
0.6951	Remote Similarity	NPD2796	Approved
0.6928	Remote Similarity	NPD1357	Approved
0.6928	Remote Similarity	NPD5698	Clinical (unspecified phase)
0.6927	Remote Similarity	NPD6777	Approved
0.6927	Remote Similarity	NPD6781	Approved
0.6927	Remote Similarity	NPD6776	Approved
0.6927	Remote Similarity	NPD6778	Approved
0.6927	Remote Similarity	NPD6779	Approved
0.6927	Remote Similarity	NPD6782	Approved
0.6927	Remote Similarity	NPD6780	Approved
0.6914	Remote Similarity	NPD230	Phase 1
0.6908	Remote Similarity	NPD5536	Phase 2
0.6907	Remote Similarity	NPD7680	Approved
0.6905	Remote Similarity	NPD5058	Phase 3
0.6894	Remote Similarity	NPD4062	Phase 3
0.6893	Remote Similarity	NPD5677	Discontinued
0.6889	Remote Similarity	NPD7473	Discontinued
0.6888	Remote Similarity	NPD7583	Approved
0.6886	Remote Similarity	NPD1878	Clinical (unspecified phase)
0.6886	Remote Similarity	NPD6398	Clinical (unspecified phase)
0.6882	Remote Similarity	NPD7314	Clinical (unspecified phase)
0.6869	Remote Similarity	NPD7875	Clinical (unspecified phase)
0.6869	Remote Similarity	NPD7874	Approved
0.6867	Remote Similarity	NPD1549	Phase 2
0.6864	Remote Similarity	NPD4357	Discontinued
0.686	Remote Similarity	NPD8158	Clinical (unspecified phase)
0.6853	Remote Similarity	NPD7585	Approved
0.6848	Remote Similarity	NPD2935	Discontinued
0.6848	Remote Similarity	NPD1551	Phase 2
0.6835	Remote Similarity	NPD2797	Approved
0.6834	Remote Similarity	NPD7782	Clinical (unspecified phase)
0.6834	Remote Similarity	NPD7783	Phase 2
0.6833	Remote Similarity	NPD7784	Clinical (unspecified phase)
0.6833	Remote Similarity	NPD7852	Clinical (unspecified phase)
0.6824	Remote Similarity	NPD7004	Clinical (unspecified phase)
0.6818	Remote Similarity	NPD7768	Phase 2
0.6813	Remote Similarity	NPD1008	Clinical (unspecified phase)
0.6807	Remote Similarity	NPD3540	Phase 1
0.6807	Remote Similarity	NPD1552	Clinical (unspecified phase)
0.6807	Remote Similarity	NPD1550	Clinical (unspecified phase)
0.6802	Remote Similarity	NPD3687	Approved
0.6802	Remote Similarity	NPD3686	Approved
0.6788	Remote Similarity	NPD7033	Discontinued
0.6782	Remote Similarity	NPD7615	Clinical (unspecified phase)
0.6778	Remote Similarity	NPD3926	Phase 2
0.6771	Remote Similarity	NPD6621	Clinical (unspecified phase)
0.677	Remote Similarity	NPD4625	Phase 3
0.6766	Remote Similarity	NPD2424	Discontinued
0.6765	Remote Similarity	NPD7212	Phase 2
0.6765	Remote Similarity	NPD7213	Phase 3
0.6761	Remote Similarity	NPD8443	Clinical (unspecified phase)
0.6761	Remote Similarity	NPD5353	Approved
0.676	Remote Similarity	NPD6959	Discontinued
0.6747	Remote Similarity	NPD3539	Phase 1
0.6735	Remote Similarity	NPD7698	Approved
0.6735	Remote Similarity	NPD7696	Phase 3
0.6735	Remote Similarity	NPD7697	Approved
0.6734	Remote Similarity	NPD8151	Discontinued
0.6728	Remote Similarity	NPD6410	Clinical (unspecified phase)
0.6728	Remote Similarity	NPD3268	Approved
0.6727	Remote Similarity	NPD4538	Approved
0.6727	Remote Similarity	NPD4537	Clinical (unspecified phase)
0.6727	Remote Similarity	NPD4536	Approved
0.6726	Remote Similarity	NPD7421	Clinical (unspecified phase)
0.6725	Remote Similarity	NPD7447	Phase 1
0.6725	Remote Similarity	NPD7446	Clinical (unspecified phase)
0.6725	Remote Similarity	NPD7410	Clinical (unspecified phase)
0.6724	Remote Similarity	NPD4678	Approved
0.6724	Remote Similarity	NPD4675	Approved
0.6709	Remote Similarity	NPD4749	Approved
0.6708	Remote Similarity	NPD6832	Phase 2
0.6707	Remote Similarity	NPD1899	Clinical (unspecified phase)
0.6703	Remote Similarity	NPD7038	Approved
0.6703	Remote Similarity	NPD7039	Approved
0.6701	Remote Similarity	NPD7870	Phase 2
0.6701	Remote Similarity	NPD7871	Phase 2
0.6689	Remote Similarity	NPD290	Approved
0.6689	Remote Similarity	NPD1358	Approved
0.6689	Remote Similarity	NPD5535	Approved
0.6687	Remote Similarity	NPD1510	Phase 2
0.6686	Remote Similarity	NPD4110	Phase 3
0.6686	Remote Similarity	NPD5089	Approved
0.6686	Remote Similarity	NPD5090	Approved
0.6686	Remote Similarity	NPD7982	Clinical (unspecified phase)
0.6686	Remote Similarity	NPD4109	Clinical (unspecified phase)
0.6684	Remote Similarity	NPD8090	Clinical (unspecified phase)
0.6684	Remote Similarity	NPD6823	Phase 2
0.6683	Remote Similarity	NPD7701	Phase 2

Structure

NPC284810 OpenBabel07101718202D 37 41 0 0 1 0 0 0 0 0999 V2000 -0.8660 4.5000 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 7.7942 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 8.6603 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 3.5000 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 6.0622 3.5000 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 0.8660 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9282 2.0000 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 5.1962 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9282 3.0000 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 0.0000 3.0000 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 3.4641 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -1.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6603 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 2 0 0 0 0 0 0 0 0 0 -1.7321 -1.0000 0.0000 C 0 0 1 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 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 2 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 9.5263 3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5981 -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 4.3301 1.5000 0.0000 O 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 4.3301 3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7942 3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 1.5000 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 0.0000 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 32 1 0 0 0 0 2 4 2 0 0 0 0 2 11 1 0 0 0 0 3 5 2 0 0 0 0 3 11 1 0 0 0 0 4 13 1 0 0 0 0 5 20 1 0 0 0 0 6 12 2 0 0 0 0 6 16 1 0 0 0 0 7 12 1 0 0 0 0 7 18 2 0 0 0 0 8 13 2 0 0 0 0 8 14 1 0 0 0 0 9 15 2 0 0 0 0 9 17 1 0 0 0 0 10 26 1 0 0 0 0 11 14 2 0 0 0 0 12 15 1 0 0 0 0 13 33 1 0 0 0 0 14 34 1 0 0 0 0 15 35 1 0 0 0 0 16 17 2 0 0 0 0 16 32 1 0 0 0 0 17 36 1 0 0 0 0 18 24 1 0 0 0 0 18 33 1 0 0 0 0 19 10 1 6 0 0 0 19 21 1 0 0 0 0 19 37 1 0 0 0 0 20 27 2 0 0 0 0 20 34 1 0 0 0 0 21 22 1 0 0 0 0 21 28 1 1 0 0 0 22 23 1 0 0 0 0 22 29 1 6 0 0 0 23 25 1 0 0 0 0 23 30 1 1 0 0 0 24 31 2 0 0 0 0 24 35 1 0 0 0 0 25 36 1 6 0 0 0 25 37 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	185819
ChEMBL	CHEMBL1209491
ZINC

Physicochemical Properties

Molecular Weight:	514.11
ALogP:	-2.2132
MLogP:	2.89
XLogP:	2.251
# Rotatable Bonds:	11
Polar Surface Area:	170.44
# H-Bond Aceptor:	7
# H-Bond Donor:	4
# Rings:	5
# Heavy Atoms:	37

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