NPASS Natural Product

Natural Product: NPC137649

Natural Product ID:	NPC137649
Common Name:	(+)-Parviflorol
IUPAC Name:	(5S,6S)-1,3,5,7,9-pentahydroxy-6-(4-hydroxyphenyl)-5,6-dihydrodibenzo[2,1-[7]annulen-11-one
Synonyms:	(+)-Parviflorol
Molecular Formula:	C21H16O7
Standard InCHIKey:	QLUPKRIWOVDUPU-FXAWDEMLSA-N
Standard InCHI:	InChI=1S/C21H16O7/c22-10-3-1-9(2-4-10)17-18-13(5-11(23)7-15(18)25)21(28)19-14(20(17)27)6-12(24)8-16(19)26/h1-8,17,20,22-27H/t17-,20+/m0/s1
Canonical SMILES:	Oc1ccc(cc1)[C@@H]1[C@H](O)c2cc(O)cc(c2C(=O)c2c1c(O)cc(c2)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
NPO26194	Shorea roxburghii	Species	Dipterocarpaceae	Eukaryota	Barks			PMID[22209731]
NPO27265	Hopea parviflora	Species	Dipterocarpaceae	Eukaryota				TCMID*

Biological Activity

Activity Type	# Activity
IC50	3
Others	3

Activity Type	# Activity
Individual Protein	6

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT671	Individual Protein	Acidic alpha-glucosidase	Rattus norvegicus	IC50	>	400000	nM	22209731
NPT671	Individual Protein	Acidic alpha-glucosidase	Rattus norvegicus	Inhibition	=	6.8	%	22209731
NPT462	Individual Protein	Sucrase-isomaltase	Rattus norvegicus	IC50	>	400000	nM	22209731
NPT462	Individual Protein	Sucrase-isomaltase	Rattus norvegicus	Inhibition	=	-0.8	%	22209731
NPT68	Individual Protein	Aldose reductase	Rattus norvegicus	IC50	>	100000	nM	22209731
NPT68	Individual Protein	Aldose reductase	Rattus norvegicus	Inhibition	=	43.7	%	22209731

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 NPC137649 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	268
0.1-0.2	1093
0.2-0.3	1970
0.3-0.4	5007
0.4-0.5	8376
0.5-0.6	3394
0.6-0.7	5055
0.7-0.8	4860
0.8-0.85	753
0.85-0.9	103
0.9-0.95	10
0.95-1	0

Similarity Score	Similarity Level	Natural Product ID
0.9149	High Similarity	NPC135524
0.9149	High Similarity	NPC474961
0.9111	High Similarity	NPC147757
0.9078	High Similarity	NPC305845
0.9078	High Similarity	NPC204045
0.9071	High Similarity	NPC190457
0.9021	High Similarity	NPC244691
0.9021	High Similarity	NPC471906
0.9007	High Similarity	NPC181560
0.9007	High Similarity	NPC169452
0.8986	High Similarity	NPC44437
0.8986	High Similarity	NPC282780
0.8986	High Similarity	NPC166480
0.8978	High Similarity	NPC478190
0.8936	High Similarity	NPC242994
0.8936	High Similarity	NPC138099
0.8913	High Similarity	NPC213485
0.8913	High Similarity	NPC139074
0.8913	High Similarity	NPC40524
0.8897	High Similarity	NPC92624
0.8881	High Similarity	NPC193555
0.8844	High Similarity	NPC477221
0.8832	High Similarity	NPC259942
0.8828	High Similarity	NPC34482
0.8815	High Similarity	NPC8745
0.8794	High Similarity	NPC53206
0.8794	High Similarity	NPC53414
0.8794	High Similarity	NPC471905
0.8786	High Similarity	NPC70859
0.8786	High Similarity	NPC61153
0.8786	High Similarity	NPC130899
0.8786	High Similarity	NPC283590
0.8768	High Similarity	NPC475042
0.8767	High Similarity	NPC470570
0.8759	High Similarity	NPC193703
0.8759	High Similarity	NPC48762
0.8759	High Similarity	NPC102829
0.8759	High Similarity	NPC120488
0.8759	High Similarity	NPC21599
0.875	High Similarity	NPC469520
0.875	High Similarity	NPC85310
0.875	High Similarity	NPC73061
0.8741	High Similarity	NPC10926
0.8732	High Similarity	NPC20210
0.8723	High Similarity	NPC191976
0.8723	High Similarity	NPC254847
0.871	High Similarity	NPC474591
0.8707	High Similarity	NPC290194
0.8705	High Similarity	NPC175738
0.869	High Similarity	NPC295712
0.869	High Similarity	NPC474203
0.869	High Similarity	NPC313047
0.869	High Similarity	NPC451542
0.8681	High Similarity	NPC246638
0.8681	High Similarity	NPC91019
0.8681	High Similarity	NPC106519
0.8671	High Similarity	NPC143438
0.8667	High Similarity	NPC13238
0.8662	High Similarity	NPC44960
0.8662	High Similarity	NPC474110
0.8662	High Similarity	NPC290030
0.8643	High Similarity	NPC52407
0.8643	High Similarity	NPC267205
0.8623	High Similarity	NPC109123
0.8621	High Similarity	NPC49108
0.8611	High Similarity	NPC203063
0.8603	High Similarity	NPC477454
0.8601	High Similarity	NPC175552
0.86	High Similarity	NPC470569
0.8581	High Similarity	NPC37709
0.8581	High Similarity	NPC81835
0.8571	High Similarity	NPC17843
0.8571	High Similarity	NPC70622
0.8562	High Similarity	NPC174905
0.8562	High Similarity	NPC293545
0.8562	High Similarity	NPC238629
0.8552	High Similarity	NPC290550
0.8552	High Similarity	NPC472904
0.8552	High Similarity	NPC187843
0.8551	High Similarity	NPC247250
0.8551	High Similarity	NPC767
0.8551	High Similarity	NPC473017
0.8543	High Similarity	NPC113608
0.8543	High Similarity	NPC470338
0.8543	High Similarity	NPC470340
0.8543	High Similarity	NPC474843
0.8543	High Similarity	NPC268992
0.8543	High Similarity	NPC180944
0.8543	High Similarity	NPC470337
0.8543	High Similarity	NPC51824
0.8542	High Similarity	NPC162939
0.8542	High Similarity	NPC472903
0.854	High Similarity	NPC473691
0.8533	High Similarity	NPC255641
0.8533	High Similarity	NPC147735
0.8533	High Similarity	NPC290954
0.8533	High Similarity	NPC470568
0.8523	High Similarity	NPC106328
0.8523	High Similarity	NPC221352
0.8523	High Similarity	NPC35150
0.8519	High Similarity	NPC133909
0.8519	High Similarity	NPC32032
0.8514	High Similarity	NPC110882
0.8514	High Similarity	NPC51513
0.8514	High Similarity	NPC271944
0.8514	High Similarity	NPC314437
0.8514	High Similarity	NPC85393
0.8514	High Similarity	NPC202112
0.8511	High Similarity	NPC314048
0.8506	High Similarity	NPC324736
0.8503	High Similarity	NPC10764
0.8503	High Similarity	NPC227841
0.85	High Similarity	NPC93015
0.8489	Intermediate Similarity	NPC474998
0.8487	Intermediate Similarity	NPC218870
0.8487	Intermediate Similarity	NPC182921
0.8487	Intermediate Similarity	NPC470408
0.8487	Intermediate Similarity	NPC474824
0.8483	Intermediate Similarity	NPC155205
0.8478	Intermediate Similarity	NPC23126
0.8478	Intermediate Similarity	NPC72158
0.8478	Intermediate Similarity	NPC105157
0.8478	Intermediate Similarity	NPC103356
0.8478	Intermediate Similarity	NPC100067
0.8478	Intermediate Similarity	NPC162612
0.8478	Intermediate Similarity	NPC190043
0.8478	Intermediate Similarity	NPC30501
0.8478	Intermediate Similarity	NPC266689
0.8478	Intermediate Similarity	NPC169250
0.8478	Intermediate Similarity	NPC98254
0.8472	Intermediate Similarity	NPC177307
0.8472	Intermediate Similarity	NPC475974
0.8472	Intermediate Similarity	NPC9121
0.8472	Intermediate Similarity	NPC472403
0.8462	Intermediate Similarity	NPC118919
0.8456	Intermediate Similarity	NPC77903
0.8456	Intermediate Similarity	NPC17101
0.8444	Intermediate Similarity	NPC156139
0.8444	Intermediate Similarity	NPC242895
0.8444	Intermediate Similarity	NPC45438
0.8444	Intermediate Similarity	NPC115159
0.8444	Intermediate Similarity	NPC224273
0.8444	Intermediate Similarity	NPC19174
0.8444	Intermediate Similarity	NPC73532
0.8444	Intermediate Similarity	NPC267552
0.8444	Intermediate Similarity	NPC143427
0.8444	Intermediate Similarity	NPC196976
0.844	Intermediate Similarity	NPC135801
0.8431	Intermediate Similarity	NPC68727
0.8429	Intermediate Similarity	NPC136588
0.8429	Intermediate Similarity	NPC31799
0.8429	Intermediate Similarity	NPC17840
0.8429	Intermediate Similarity	NPC199253
0.8429	Intermediate Similarity	NPC247477
0.8417	Intermediate Similarity	NPC21305
0.8417	Intermediate Similarity	NPC221777
0.8417	Intermediate Similarity	NPC179898
0.8414	Intermediate Similarity	NPC112789
0.8414	Intermediate Similarity	NPC19622
0.8414	Intermediate Similarity	NPC472368
0.8411	Intermediate Similarity	NPC225854
0.8406	Intermediate Similarity	NPC267846
0.8406	Intermediate Similarity	NPC62952
0.8403	Intermediate Similarity	NPC474849
0.8403	Intermediate Similarity	NPC71256
0.8403	Intermediate Similarity	NPC170742
0.8403	Intermediate Similarity	NPC178467
0.8403	Intermediate Similarity	NPC213603
0.8403	Intermediate Similarity	NPC474771
0.8403	Intermediate Similarity	NPC149372
0.8403	Intermediate Similarity	NPC65837
0.8389	Intermediate Similarity	NPC143685
0.8389	Intermediate Similarity	NPC299011
0.8378	Intermediate Similarity	NPC117836
0.8378	Intermediate Similarity	NPC218866
0.8378	Intermediate Similarity	NPC476178
0.8378	Intermediate Similarity	NPC84568
0.8378	Intermediate Similarity	NPC300684
0.8378	Intermediate Similarity	NPC48130
0.8378	Intermediate Similarity	NPC475705
0.8378	Intermediate Similarity	NPC51887
0.8378	Intermediate Similarity	NPC19896
0.8377	Intermediate Similarity	NPC474861
0.837	Intermediate Similarity	NPC297186
0.837	Intermediate Similarity	NPC248363
0.8369	Intermediate Similarity	NPC469526
0.8369	Intermediate Similarity	NPC34070
0.8367	Intermediate Similarity	NPC321980
0.8367	Intermediate Similarity	NPC257644
0.8367	Intermediate Similarity	NPC470087
0.8366	Intermediate Similarity	NPC472211
0.8357	Intermediate Similarity	NPC99731
0.8357	Intermediate Similarity	NPC476119
0.8356	Intermediate Similarity	NPC183345
0.8356	Intermediate Similarity	NPC109232
0.8356	Intermediate Similarity	NPC275903
0.8355	Intermediate Similarity	NPC476552
0.8355	Intermediate Similarity	NPC476553
0.8355	Intermediate Similarity	NPC227485
0.8355	Intermediate Similarity	NPC476551

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC137649 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	284
0.1-0.2	873
0.2-0.3	1392
0.3-0.4	2585
0.4-0.5	2295
0.5-0.6	1212
0.6-0.7	396
0.7-0.8	111
0.8-0.85	11
0.85-0.9	2
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.8723	High Similarity	NPD1509	Clinical (unspecified phase)
0.8503	High Similarity	NPD7390	Discontinued
0.844	Intermediate Similarity	NPD943	Approved
0.8333	Intermediate Similarity	NPD1470	Approved
0.8333	Intermediate Similarity	NPD651	Clinical (unspecified phase)
0.8207	Intermediate Similarity	NPD1510	Phase 2
0.8175	Intermediate Similarity	NPD1201	Approved
0.8151	Intermediate Similarity	NPD5404	Approved
0.8151	Intermediate Similarity	NPD5405	Approved
0.8151	Intermediate Similarity	NPD5408	Approved
0.8151	Intermediate Similarity	NPD5406	Approved
0.8052	Intermediate Similarity	NPD4380	Phase 2
0.8041	Intermediate Similarity	NPD1549	Phase 2
0.7973	Intermediate Similarity	NPD1552	Clinical (unspecified phase)
0.7973	Intermediate Similarity	NPD1550	Clinical (unspecified phase)
0.7963	Intermediate Similarity	NPD7473	Discontinued
0.7962	Intermediate Similarity	NPD8443	Clinical (unspecified phase)
0.7937	Intermediate Similarity	NPD6959	Discontinued
0.7931	Intermediate Similarity	NPD1240	Approved
0.7898	Intermediate Similarity	NPD7819	Suspended
0.7898	Intermediate Similarity	NPD2393	Clinical (unspecified phase)
0.7888	Intermediate Similarity	NPD6232	Discontinued
0.7843	Intermediate Similarity	NPD7422	Clinical (unspecified phase)
0.7843	Intermediate Similarity	NPD4378	Clinical (unspecified phase)
0.7834	Intermediate Similarity	NPD1934	Approved
0.7823	Intermediate Similarity	NPD1607	Approved
0.78	Intermediate Similarity	NPD970	Clinical (unspecified phase)
0.7791	Intermediate Similarity	NPD6167	Clinical (unspecified phase)
0.7791	Intermediate Similarity	NPD6166	Phase 2
0.7791	Intermediate Similarity	NPD6168	Clinical (unspecified phase)
0.7785	Intermediate Similarity	NPD2796	Approved
0.775	Intermediate Similarity	NPD3749	Approved
0.775	Intermediate Similarity	NPD4381	Clinical (unspecified phase)
0.7737	Intermediate Similarity	NPD405	Clinical (unspecified phase)
0.7727	Intermediate Similarity	NPD7410	Clinical (unspecified phase)
0.7697	Intermediate Similarity	NPD3818	Discontinued
0.7688	Intermediate Similarity	NPD4868	Clinical (unspecified phase)
0.7673	Intermediate Similarity	NPD2801	Approved
0.7662	Intermediate Similarity	NPD1511	Approved
0.7658	Intermediate Similarity	NPD7411	Suspended
0.7613	Intermediate Similarity	NPD2534	Approved
0.7613	Intermediate Similarity	NPD2532	Approved
0.7613	Intermediate Similarity	NPD2533	Approved
0.7582	Intermediate Similarity	NPD3750	Approved
0.7578	Intermediate Similarity	NPD3882	Suspended
0.7564	Intermediate Similarity	NPD1512	Approved
0.7551	Intermediate Similarity	NPD3764	Approved
0.755	Intermediate Similarity	NPD2935	Discontinued
0.7546	Intermediate Similarity	NPD5494	Approved
0.7545	Intermediate Similarity	NPD5844	Phase 1
0.7531	Intermediate Similarity	NPD7075	Discontinued
0.747	Intermediate Similarity	NPD7852	Clinical (unspecified phase)
0.7469	Intermediate Similarity	NPD7768	Phase 2
0.7468	Intermediate Similarity	NPD1878	Clinical (unspecified phase)
0.7456	Intermediate Similarity	NPD7993	Clinical (unspecified phase)
0.7453	Intermediate Similarity	NPD7096	Clinical (unspecified phase)
0.7448	Intermediate Similarity	NPD1164	Approved
0.7407	Intermediate Similarity	NPD5402	Approved
0.7396	Intermediate Similarity	NPD7074	Phase 3
0.7391	Intermediate Similarity	NPD6801	Discontinued
0.7372	Intermediate Similarity	NPD3300	Phase 2
0.7361	Intermediate Similarity	NPD9269	Phase 2
0.7337	Intermediate Similarity	NPD7054	Approved
0.7325	Intermediate Similarity	NPD6799	Approved
0.7324	Intermediate Similarity	NPD9268	Approved
0.7312	Intermediate Similarity	NPD3226	Approved
0.7312	Intermediate Similarity	NPD5808	Clinical (unspecified phase)
0.731	Intermediate Similarity	NPD6559	Discontinued
0.7308	Intermediate Similarity	NPD6190	Approved
0.7301	Intermediate Similarity	NPD3817	Phase 2
0.7299	Intermediate Similarity	NPD8150	Discontinued
0.7294	Intermediate Similarity	NPD7472	Approved
0.729	Intermediate Similarity	NPD7421	Clinical (unspecified phase)
0.7285	Intermediate Similarity	NPD230	Phase 1
0.7273	Intermediate Similarity	NPD2344	Approved
0.7273	Intermediate Similarity	NPD3019	Approved
0.7267	Intermediate Similarity	NPD6599	Discontinued
0.7267	Intermediate Similarity	NPD4338	Clinical (unspecified phase)
0.7255	Intermediate Similarity	NPD3299	Clinical (unspecified phase)
0.7255	Intermediate Similarity	NPD2799	Discontinued
0.7255	Intermediate Similarity	NPD3748	Approved
0.7251	Intermediate Similarity	NPD6797	Phase 2
0.7235	Intermediate Similarity	NPD7804	Clinical (unspecified phase)
0.7232	Intermediate Similarity	NPD7879	Clinical (unspecified phase)
0.7225	Intermediate Similarity	NPD8313	Approved
0.7225	Intermediate Similarity	NPD8312	Approved
0.7209	Intermediate Similarity	NPD7251	Discontinued
0.7208	Intermediate Similarity	NPD1551	Phase 2
0.7188	Intermediate Similarity	NPD5403	Approved
0.7179	Intermediate Similarity	NPD2800	Approved
0.7178	Intermediate Similarity	NPD37	Approved
0.7176	Intermediate Similarity	NPD3751	Discontinued
0.717	Intermediate Similarity	NPD7004	Clinical (unspecified phase)
0.7168	Intermediate Similarity	NPD7808	Phase 3
0.7162	Intermediate Similarity	NPD2798	Approved
0.7161	Intermediate Similarity	NPD2346	Discontinued
0.7153	Intermediate Similarity	NPD2932	Approved
0.7134	Intermediate Similarity	NPD1465	Phase 2
0.7124	Intermediate Similarity	NPD6651	Approved
0.7097	Intermediate Similarity	NPD6973	Clinical (unspecified phase)
0.7097	Intermediate Similarity	NPD6100	Approved
0.7097	Intermediate Similarity	NPD6099	Approved
0.7089	Intermediate Similarity	NPD2309	Approved
0.7083	Intermediate Similarity	NPD4196	Clinical (unspecified phase)
0.7081	Intermediate Similarity	NPD6980	Clinical (unspecified phase)
0.7069	Intermediate Similarity	NPD4419	Clinical (unspecified phase)
0.7067	Intermediate Similarity	NPD4908	Phase 1
0.7063	Intermediate Similarity	NPD5401	Approved
0.7056	Intermediate Similarity	NPD6535	Approved
0.7056	Intermediate Similarity	NPD6534	Approved
0.7048	Intermediate Similarity	NPD4967	Phase 2
0.7048	Intermediate Similarity	NPD4965	Approved
0.7048	Intermediate Similarity	NPD4966	Approved
0.7041	Intermediate Similarity	NPD3787	Discontinued
0.7041	Intermediate Similarity	NPD5710	Approved
0.7041	Intermediate Similarity	NPD5711	Approved
0.7041	Intermediate Similarity	NPD7229	Phase 3
0.7035	Intermediate Similarity	NPD6020	Phase 2
0.7029	Intermediate Similarity	NPD9266	Approved
0.7029	Intermediate Similarity	NPD74	Approved
0.7025	Intermediate Similarity	NPD7003	Approved
0.7025	Intermediate Similarity	NPD4628	Phase 3
0.7022	Intermediate Similarity	NPD8397	Clinical (unspecified phase)
0.7	Intermediate Similarity	NPD3926	Phase 2
0.6993	Remote Similarity	NPD9493	Approved
0.6982	Remote Similarity	NPD7199	Phase 2
0.698	Remote Similarity	NPD3094	Phase 2
0.6978	Remote Similarity	NPD4750	Phase 3
0.6975	Remote Similarity	NPD920	Approved
0.6974	Remote Similarity	NPD6859	Clinical (unspecified phase)
0.6974	Remote Similarity	NPD4907	Clinical (unspecified phase)
0.6974	Remote Similarity	NPD2313	Discontinued
0.6964	Remote Similarity	NPD6234	Discontinued
0.6957	Remote Similarity	NPD6782	Approved
0.6957	Remote Similarity	NPD6780	Approved
0.6957	Remote Similarity	NPD6777	Approved
0.6957	Remote Similarity	NPD6781	Approved
0.6957	Remote Similarity	NPD9264	Approved
0.6957	Remote Similarity	NPD9263	Approved
0.6957	Remote Similarity	NPD9265	Clinical (unspecified phase)
0.6957	Remote Similarity	NPD6778	Approved
0.6957	Remote Similarity	NPD6779	Approved
0.6957	Remote Similarity	NPD642	Clinical (unspecified phase)
0.6957	Remote Similarity	NPD9267	Approved
0.6957	Remote Similarity	NPD6776	Approved
0.6954	Remote Similarity	NPD5953	Discontinued
0.694	Remote Similarity	NPD7699	Phase 2
0.694	Remote Similarity	NPD7700	Phase 2
0.6939	Remote Similarity	NPD1547	Clinical (unspecified phase)
0.6936	Remote Similarity	NPD7286	Phase 2
0.6931	Remote Similarity	NPD8151	Discontinued
0.6928	Remote Similarity	NPD6663	Approved
0.6918	Remote Similarity	NPD3400	Discontinued
0.6914	Remote Similarity	NPD6273	Approved
0.6898	Remote Similarity	NPD8320	Phase 1
0.6898	Remote Similarity	NPD7870	Phase 2
0.6898	Remote Similarity	NPD8319	Approved
0.6898	Remote Similarity	NPD7871	Phase 2
0.6897	Remote Similarity	NPD9545	Approved
0.6897	Remote Similarity	NPD3091	Approved
0.689	Remote Similarity	NPD7458	Discontinued
0.6889	Remote Similarity	NPD1242	Phase 1
0.6887	Remote Similarity	NPD5736	Approved
0.6875	Remote Similarity	NPD5034	Approved
0.6875	Remote Similarity	NPD4954	Approved
0.6875	Remote Similarity	NPD4955	Approved
0.6875	Remote Similarity	NPD36	Approved
0.6875	Remote Similarity	NPD5026	Approved
0.6875	Remote Similarity	NPD5028	Approved
0.6871	Remote Similarity	NPD3026	Approved
0.6871	Remote Similarity	NPD3023	Approved
0.6868	Remote Similarity	NPD4360	Phase 2
0.6868	Remote Similarity	NPD4363	Phase 3
0.6867	Remote Similarity	NPD1203	Approved
0.6865	Remote Similarity	NPD7501	Clinical (unspecified phase)
0.6861	Remote Similarity	NPD1237	Approved
0.6854	Remote Similarity	NPD8055	Clinical (unspecified phase)
0.6849	Remote Similarity	NPD3025	Approved
0.6849	Remote Similarity	NPD3024	Approved
0.6845	Remote Similarity	NPD7697	Approved
0.6845	Remote Similarity	NPD7696	Phase 3
0.6845	Remote Similarity	NPD7435	Discontinued
0.6845	Remote Similarity	NPD7698	Approved
0.6838	Remote Similarity	NPD846	Approved
0.6838	Remote Similarity	NPD940	Approved
0.6836	Remote Similarity	NPD5035	Approved
0.6833	Remote Similarity	NPD4287	Approved
0.6832	Remote Similarity	NPD643	Clinical (unspecified phase)
0.6826	Remote Similarity	NPD5760	Phase 2
0.6826	Remote Similarity	NPD5761	Phase 2
0.6824	Remote Similarity	NPD3092	Approved
0.6824	Remote Similarity	NPD1610	Phase 2
0.6818	Remote Similarity	NPD5030	Phase 2
0.6816	Remote Similarity	NPD5038	Approved
0.6816	Remote Similarity	NPD5037	Approved
0.6813	Remote Similarity	NPD6398	Clinical (unspecified phase)
0.6813	Remote Similarity	NPD6213	Phase 3
0.6813	Remote Similarity	NPD6212	Phase 3
0.6813	Remote Similarity	NPD6214	Clinical (unspecified phase)
0.6813	Remote Similarity	NPD8166	Discontinued

Structure

CID137649 OpenBabel06191715492D 28 31 0 0 1 0 0 0 0 0999 V2000 3.6346 -0.7381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1240 -2.3932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5901 -1.0328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0796 -2.6879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9309 1.3653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1653 -2.6828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6629 1.3653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7258 -1.9313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9015 -1.4182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8127 -2.0078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7969 1.8653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1625 -2.7575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9309 0.3653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2686 -1.7818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6629 0.3653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2920 -1.0303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9459 -1.1235 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7969 -0.1347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2948 -0.9556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2658 -1.8565 0.0000 C 0 0 2 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 5.7682 -2.3025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7969 2.8653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5964 -3.6585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5289 -0.1347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8553 -0.2041 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6311 -2.7874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7331 0.6802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 9 2 0 0 0 0 2 4 2 0 0 0 0 2 9 1 0 0 0 0 3 10 2 0 0 0 0 4 10 1 0 0 0 0 5 11 2 0 0 0 0 5 13 1 0 0 0 0 6 12 2 0 0 0 0 6 14 1 0 0 0 0 7 11 1 0 0 0 0 7 15 2 0 0 0 0 8 12 1 0 0 0 0 8 16 2 0 0 0 0 10 22 1 0 0 0 0 11 23 1 0 0 0 0 12 24 1 0 0 0 0 13 18 2 0 0 0 0 13 21 1 0 0 0 0 14 19 2 0 0 0 0 14 20 1 0 0 0 0 15 18 1 0 0 0 0 15 25 1 0 0 0 0 16 19 1 0 0 0 0 16 26 1 0 0 0 0 17 9 1 6 0 0 0 17 18 1 0 0 0 0 17 20 1 0 0 0 0 19 21 1 0 0 0 0 20 27 1 6 0 0 0 21 28 2 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	57402416
ChEMBL	CHEMBL1939430
ZINC

Physicochemical Properties

Molecular Weight:	380.09
ALogP:	-3.2069
MLogP:	3
XLogP:	0.599
# Rotatable Bonds:	7
Polar Surface Area:	138.45
# H-Bond Aceptor:	2
# H-Bond Donor:	6
# Rings:	4
# Heavy Atoms:	28

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