NPASS Natural Product

Natural Product: NPC17848

Natural Product ID:	NPC17848
Common Name:	Candidin
IUPAC Name:	5-methoxy-8,8-dimethyl-2-phenylpyrano[2,3-h]chromen-4-one
Synonyms:	Candidin
Molecular Formula:	C21H18O4
Standard InCHIKey:	DPAGRPSAFDXQDN-UHFFFAOYSA-N
Standard InCHI:	InChI=1S/C21H18O4/c1-21(2)10-9-14-17(25-21)12-18(23-3)19-15(22)11-16(24-20(14)19)13-7-5-4-6-8-13/h4-12H,1-3H3
Canonical SMILES:	COc1cc2OC(C)(C)C=Cc2c2c1c(=O)cc(o2)c1ccccc1
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
NPO30165	Pongamia pinnata	Species	Fabaceae	Eukaryota	Stem barks	Indonesia	1999-SEP	PMID[14510596]
NPO19856	Millettia pulchra	Species	Fabaceae	Eukaryota				PMID[25630222]

Biological Activity

Activity Type	# Activity
Others	4
Potency	28

Activity Type	# Activity
Cell Line	1
Individual Protein	20
Organism	3
Others	8

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT442	Individual Protein	Ferritin light chain	Equus caballus	Potency	=	15848.9	nM	9917283
NPT101	Individual Protein	Glucagon-like peptide 1 receptor	Homo sapiens	Potency		1000	nM	21314138
NPT586	Organism	Giardia	Giardia	Potency		460	nM	9822558
NPT861	Individual Protein	Isocitrate dehydrogenase [NADP] cytoplasmic	Homo sapiens	Potency		28183.8	nM	DrugMatrix in vitro pharmacology data
NPT6	Organism	Plasmodium falciparum	Plasmodium falciparum	Potency		18526	nM	14738379
NPT864	Individual Protein	Lethal(3)malignant brain tumor-like protein 1	Homo sapiens	Potency	=	794.3	nM	23819871
NPT803	Individual Protein	Flap endonuclease 1	Homo sapiens	Potency		56234.1	nM	8254346
NPT440	Individual Protein	Quinone oxidoreductase	Mus musculus	CD	=	4.5	ug/ml	23131338
NPT161	Individual Protein	Rap guanine nucleotide exchange factor 4	Homo sapiens	Potency		56234.1	nM	18157122
NPT101	Individual Protein	Glucagon-like peptide 1 receptor	Homo sapiens	Potency		35481.3	nM	10.6019/CHEMBL1201861
NPT2	Others	Unspecified		Potency		25929	nM	2128517
NPT2	Others	Unspecified		Potency		39810.7	nM	21524582
NPT484	Individual Protein	Luciferin 4-monooxygenase	Photinus pyralis	Potency		23934.1	nM	20713660
NPT2	Others	Unspecified		Potency		5011.9	nM	26295746
NPT2	Others	Unspecified		Ratio	=	1		18951808
NPT2	Others	Unspecified		Potency		16360.1	nM	PubChem BioAssay data set
NPT154	Individual Protein	Mothers against decapentaplegic homolog 3	Homo sapiens	Potency		17782.8	nM	24012119
NPT861	Individual Protein	Isocitrate dehydrogenase [NADP] cytoplasmic	Homo sapiens	Potency		39810.7	nM	20000781
NPT53	Individual Protein	4'-phosphopantetheinyl transferase ffp	Bacillus subtilis	Potency	=	50118.7	nM	10.1016/S0960-894X(00)80646-0
NPT2	Others	Unspecified		Potency	=	32642.7	nM	PubChem BioAssay data set
NPT94	Individual Protein	Aldehyde dehydrogenase 1A1	Homo sapiens	Potency	=	10000	nM	17190457
NPT6	Organism	Plasmodium falciparum	Plasmodium falciparum	Potency		11689.1	nM	16252924
NPT65	Cell Line	HepG2	Homo sapiens	Potency		17782.8	nM	10869203
NPT152	Individual Protein	Nuclear factor erythroid 2-related factor 2	Homo sapiens	Potency		16360.1	nM	12617894
NPT10	Individual Protein	Geminin	Homo sapiens	Potency		29092.9	nM	20350950
NPT531	Individual Protein	Nuclear receptor ROR-gamma	Mus musculus	Potency	=	35481.3	nM	DrugMatrix in vivo data: Hematology
NPT160	Individual Protein	TAR DNA-binding protein 43	Homo sapiens	Potency		35481.3	nM	10785416
NPT861	Individual Protein	Isocitrate dehydrogenase [NADP] cytoplasmic	Homo sapiens	Potency		22387.2	nM	19615910
NPT2	Others	Unspecified		Potency		1000	nM	DrugMatrix in vitro pharmacology data
NPT365	Individual Protein	NAD(P)H dehydrogenase [quinone] 1	Mus musculus	Ratio	=	2.02		19902967
NPT63	Individual Protein	Bromodomain adjacent to zinc finger domain protein 2B	Homo sapiens	Potency		79432.8	nM	DrugMatrix in vivo data: Hematology
NPT2	Others	Unspecified		Activity	=	79	%	16420055

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 NPC17848 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	302
0.1-0.2	1296
0.2-0.3	2681
0.3-0.4	7110
0.4-0.5	6062
0.5-0.6	2790
0.6-0.7	4936
0.7-0.8	3293
0.8-0.85	1377
0.85-0.9	728
0.9-0.95	297
0.95-1	17

Similarity Score	Similarity Level	Natural Product ID
0.9848	High Similarity	NPC161196
0.9774	High Similarity	NPC157855
0.9773	High Similarity	NPC46869
0.9635	High Similarity	NPC59522
0.9632	High Similarity	NPC52576
0.9565	High Similarity	NPC179970
0.9562	High Similarity	NPC62840
0.9562	High Similarity	NPC217083
0.9562	High Similarity	NPC293852
0.9562	High Similarity	NPC299080
0.9562	High Similarity	NPC59739
0.9562	High Similarity	NPC78803
0.9562	High Similarity	NPC214236
0.9559	High Similarity	NPC472409
0.9559	High Similarity	NPC150522
0.9545	High Similarity	NPC101294
0.9545	High Similarity	NPC473655
0.9489	High Similarity	NPC103362
0.9485	High Similarity	NPC11566
0.9481	High Similarity	NPC259685
0.947	High Similarity	NPC278556
0.9429	High Similarity	NPC104406
0.9429	High Similarity	NPC201731
0.9429	High Similarity	NPC97716
0.9429	High Similarity	NPC237635
0.9429	High Similarity	NPC24673
0.9429	High Similarity	NPC79469
0.9424	High Similarity	NPC319752
0.942	High Similarity	NPC226636
0.942	High Similarity	NPC11561
0.9416	High Similarity	NPC241100
0.9416	High Similarity	NPC159275
0.9407	High Similarity	NPC254741
0.9398	High Similarity	NPC229646
0.9362	High Similarity	NPC6511
0.9362	High Similarity	NPC244407
0.9362	High Similarity	NPC321623
0.9362	High Similarity	NPC161191
0.9362	High Similarity	NPC189087
0.9362	High Similarity	NPC266572
0.9357	High Similarity	NPC88964
0.9357	High Similarity	NPC470647
0.9357	High Similarity	NPC312973
0.9357	High Similarity	NPC246948
0.9357	High Similarity	NPC142405
0.9357	High Similarity	NPC474161
0.9357	High Similarity	NPC54577
0.9357	High Similarity	NPC67805
0.9357	High Similarity	NPC475052
0.9357	High Similarity	NPC83357
0.9357	High Similarity	NPC301276
0.9357	High Similarity	NPC476088
0.9357	High Similarity	NPC111786
0.9357	High Similarity	NPC20488
0.9357	High Similarity	NPC195621
0.9357	High Similarity	NPC267375
0.9357	High Similarity	NPC176229
0.9357	High Similarity	NPC214774
0.9353	High Similarity	NPC38219
0.9353	High Similarity	NPC219915
0.9348	High Similarity	NPC110969
0.9348	High Similarity	NPC64908
0.9348	High Similarity	NPC282300
0.9348	High Similarity	NPC156590
0.9348	High Similarity	NPC147688
0.9348	High Similarity	NPC205006
0.9348	High Similarity	NPC118840
0.9343	High Similarity	NPC78913
0.9343	High Similarity	NPC217186
0.9343	High Similarity	NPC96565
0.9343	High Similarity	NPC301217
0.9343	High Similarity	NPC220062
0.9343	High Similarity	NPC216978
0.9343	High Similarity	NPC303633
0.9343	High Similarity	NPC53181
0.9343	High Similarity	NPC18260
0.9343	High Similarity	NPC55018
0.9333	High Similarity	NPC99854
0.9328	High Similarity	NPC292998
0.9323	High Similarity	NPC284424
0.9296	High Similarity	NPC5173
0.9291	High Similarity	NPC282335
0.9291	High Similarity	NPC296998
0.9291	High Similarity	NPC166757
0.9291	High Similarity	NPC218300
0.9291	High Similarity	NPC473077
0.9291	High Similarity	NPC23728
0.9291	High Similarity	NPC283234
0.9291	High Similarity	NPC110303
0.9291	High Similarity	NPC14001
0.9286	High Similarity	NPC311741
0.9286	High Similarity	NPC234629
0.9281	High Similarity	NPC147145
0.9275	High Similarity	NPC475680
0.9275	High Similarity	NPC172986
0.9275	High Similarity	NPC270883
0.9275	High Similarity	NPC235239
0.9275	High Similarity	NPC261227
0.9275	High Similarity	NPC305355
0.927	High Similarity	NPC201395
0.9265	High Similarity	NPC72452
0.9265	High Similarity	NPC61546
0.9259	High Similarity	NPC125269
0.9231	High Similarity	NPC188403
0.9231	High Similarity	NPC189270
0.9231	High Similarity	NPC5840
0.9225	High Similarity	NPC160821
0.9225	High Similarity	NPC296869
0.9225	High Similarity	NPC132592
0.922	High Similarity	NPC220418
0.922	High Similarity	NPC57470
0.922	High Similarity	NPC124729
0.9214	High Similarity	NPC316816
0.9214	High Similarity	NPC106985
0.9214	High Similarity	NPC478086
0.9214	High Similarity	NPC17262
0.9214	High Similarity	NPC166138
0.9214	High Similarity	NPC18585
0.9214	High Similarity	NPC214166
0.9209	High Similarity	NPC22467
0.9209	High Similarity	NPC14871
0.9203	High Similarity	NPC473209
0.9203	High Similarity	NPC23257
0.9197	High Similarity	NPC38153
0.9197	High Similarity	NPC253616
0.9185	High Similarity	NPC223354
0.9167	High Similarity	NPC473907
0.9161	High Similarity	NPC164299
0.9155	High Similarity	NPC297886
0.9155	High Similarity	NPC180477
0.9155	High Similarity	NPC249942
0.9149	High Similarity	NPC257236
0.9149	High Similarity	NPC278175
0.9149	High Similarity	NPC209040
0.9149	High Similarity	NPC273538
0.9149	High Similarity	NPC131568
0.9149	High Similarity	NPC469953
0.9149	High Similarity	NPC216538
0.9149	High Similarity	NPC131579
0.9143	High Similarity	NPC220998
0.9143	High Similarity	NPC328164
0.9143	High Similarity	NPC10937
0.9143	High Similarity	NPC228504
0.9143	High Similarity	NPC32739
0.9143	High Similarity	NPC265040
0.9143	High Similarity	NPC324436
0.9143	High Similarity	NPC223500
0.9143	High Similarity	NPC76372
0.9143	High Similarity	NPC64915
0.9143	High Similarity	NPC66515
0.9143	High Similarity	NPC182852
0.9143	High Similarity	NPC161506
0.9143	High Similarity	NPC324134
0.9143	High Similarity	NPC107572
0.9143	High Similarity	NPC37496
0.9143	High Similarity	NPC78
0.9143	High Similarity	NPC166934
0.9143	High Similarity	NPC306829
0.9143	High Similarity	NPC76338
0.9143	High Similarity	NPC177354
0.9143	High Similarity	NPC40833
0.9143	High Similarity	NPC148757
0.9143	High Similarity	NPC125855
0.9143	High Similarity	NPC166482
0.9143	High Similarity	NPC167624
0.9143	High Similarity	NPC194432
0.9143	High Similarity	NPC144499
0.9143	High Similarity	NPC296917
0.9143	High Similarity	NPC200694
0.9143	High Similarity	NPC1089
0.9143	High Similarity	NPC227579
0.9137	High Similarity	NPC471587
0.9137	High Similarity	NPC69769
0.9137	High Similarity	NPC171094
0.913	High Similarity	NPC470669
0.913	High Similarity	NPC254168
0.913	High Similarity	NPC131130
0.913	High Similarity	NPC248995
0.913	High Similarity	NPC272844
0.913	High Similarity	NPC276905
0.913	High Similarity	NPC470668
0.9124	High Similarity	NPC174999
0.9124	High Similarity	NPC127447
0.9124	High Similarity	NPC473887
0.9124	High Similarity	NPC194281
0.9124	High Similarity	NPC234133
0.9124	High Similarity	NPC231772
0.9124	High Similarity	NPC29353
0.9124	High Similarity	NPC47815
0.9124	High Similarity	NPC13408
0.9124	High Similarity	NPC124784
0.9124	High Similarity	NPC268081
0.9111	High Similarity	NPC182428
0.9098	High Similarity	NPC473894
0.9098	High Similarity	NPC211120
0.9097	High Similarity	NPC471984
0.9097	High Similarity	NPC472633
0.9097	High Similarity	NPC29777
0.9097	High Similarity	NPC471115
0.9091	High Similarity	NPC41721

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC17848 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	977
0.2-0.3	1329
0.3-0.4	2555
0.4-0.5	2086
0.5-0.6	1230
0.6-0.7	476
0.7-0.8	138
0.8-0.85	26
0.85-0.9	16
0.9-0.95	3
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.9265	High Similarity	NPD2796	Approved
0.9149	High Similarity	NPD4378	Clinical (unspecified phase)
0.9149	High Similarity	NPD7410	Clinical (unspecified phase)
0.8786	High Similarity	NPD1550	Clinical (unspecified phase)
0.8786	High Similarity	NPD1552	Clinical (unspecified phase)
0.8776	High Similarity	NPD7411	Suspended
0.8723	High Similarity	NPD1549	Phase 2
0.8643	High Similarity	NPD1510	Phase 2
0.8623	High Similarity	NPD1240	Approved
0.86	High Similarity	NPD8443	Clinical (unspecified phase)
0.8591	High Similarity	NPD6801	Discontinued
0.8581	High Similarity	NPD4380	Phase 2
0.8552	High Similarity	NPD6799	Approved
0.8533	High Similarity	NPD2393	Clinical (unspecified phase)
0.8533	High Similarity	NPD7819	Suspended
0.8533	High Similarity	NPD7096	Clinical (unspecified phase)
0.8531	High Similarity	NPD1243	Approved
0.8511	High Similarity	NPD3748	Approved
0.85	High Similarity	NPD1607	Approved
0.8378	Intermediate Similarity	NPD920	Approved
0.8377	Intermediate Similarity	NPD5494	Approved
0.8366	Intermediate Similarity	NPD7075	Discontinued
0.8356	Intermediate Similarity	NPD643	Clinical (unspecified phase)
0.8333	Intermediate Similarity	NPD6599	Discontinued
0.8299	Intermediate Similarity	NPD1511	Approved
0.8289	Intermediate Similarity	NPD2801	Approved
0.8276	Intermediate Similarity	NPD7421	Clinical (unspecified phase)
0.8255	Intermediate Similarity	NPD5403	Approved
0.8247	Intermediate Similarity	NPD4381	Clinical (unspecified phase)
0.8243	Intermediate Similarity	NPD5401	Approved
0.8243	Intermediate Similarity	NPD642	Clinical (unspecified phase)
0.8235	Intermediate Similarity	NPD3817	Phase 2
0.8224	Intermediate Similarity	NPD1934	Approved
0.8219	Intermediate Similarity	NPD3750	Approved
0.8214	Intermediate Similarity	NPD6859	Clinical (unspecified phase)
0.8188	Intermediate Similarity	NPD1512	Approved
0.8182	Intermediate Similarity	NPD7768	Phase 2
0.8165	Intermediate Similarity	NPD7852	Clinical (unspecified phase)
0.8125	Intermediate Similarity	NPD7804	Clinical (unspecified phase)
0.8089	Intermediate Similarity	NPD6959	Discontinued
0.8088	Intermediate Similarity	NPD1547	Clinical (unspecified phase)
0.8071	Intermediate Similarity	NPD6832	Phase 2
0.8027	Intermediate Similarity	NPD2800	Approved
0.8013	Intermediate Similarity	NPD3749	Approved
0.8	Intermediate Similarity	NPD2799	Discontinued
0.7986	Intermediate Similarity	NPD6651	Approved
0.7962	Intermediate Similarity	NPD919	Approved
0.7959	Intermediate Similarity	NPD970	Clinical (unspecified phase)
0.7958	Intermediate Similarity	NPD2313	Discontinued
0.7949	Intermediate Similarity	NPD3882	Suspended
0.7937	Intermediate Similarity	NPD6167	Clinical (unspecified phase)
0.7937	Intermediate Similarity	NPD6168	Clinical (unspecified phase)
0.7937	Intermediate Similarity	NPD6166	Phase 2
0.7905	Intermediate Similarity	NPD2654	Approved
0.7885	Intermediate Similarity	NPD5402	Approved
0.7862	Intermediate Similarity	NPD1247	Approved
0.7857	Intermediate Similarity	NPD3267	Approved
0.7857	Intermediate Similarity	NPD3266	Approved
0.7823	Intermediate Similarity	NPD2935	Discontinued
0.7823	Intermediate Similarity	NPD1551	Phase 2
0.7818	Intermediate Similarity	NPD4419	Clinical (unspecified phase)
0.7801	Intermediate Similarity	NPD2798	Approved
0.7793	Intermediate Similarity	NPD5124	Phase 1
0.7793	Intermediate Similarity	NPD5123	Clinical (unspecified phase)
0.7791	Intermediate Similarity	NPD7054	Approved
0.777	Intermediate Similarity	NPD3972	Approved
0.7764	Intermediate Similarity	NPD3926	Phase 2
0.7755	Intermediate Similarity	NPD7033	Discontinued
0.7744	Intermediate Similarity	NPD7472	Approved
0.7744	Intermediate Similarity	NPD7074	Phase 3
0.7742	Intermediate Similarity	NPD6585	Discontinued
0.773	Intermediate Similarity	NPD3818	Discontinued
0.7724	Intermediate Similarity	NPD4307	Phase 2
0.7708	Intermediate Similarity	NPD3268	Approved
0.7708	Intermediate Similarity	NPD4907	Clinical (unspecified phase)
0.7708	Intermediate Similarity	NPD1296	Phase 2
0.7702	Intermediate Similarity	NPD6232	Discontinued
0.7697	Intermediate Similarity	NPD6797	Phase 2
0.7697	Intermediate Similarity	NPD5953	Discontinued
0.7692	Intermediate Similarity	NPD5890	Approved
0.7692	Intermediate Similarity	NPD5889	Approved
0.7683	Intermediate Similarity	NPD7286	Phase 2
0.7671	Intermediate Similarity	NPD1933	Approved
0.7669	Intermediate Similarity	NPD7473	Discontinued
0.7662	Intermediate Similarity	NPD6980	Clinical (unspecified phase)
0.766	Intermediate Similarity	NPD3225	Approved
0.7651	Intermediate Similarity	NPD2344	Approved
0.7651	Intermediate Similarity	NPD7251	Discontinued
0.7647	Intermediate Similarity	NPD2534	Approved
0.7647	Intermediate Similarity	NPD2533	Approved
0.7647	Intermediate Similarity	NPD2532	Approved
0.7616	Intermediate Similarity	NPD1878	Clinical (unspecified phase)
0.761	Intermediate Similarity	NPD4868	Clinical (unspecified phase)
0.7607	Intermediate Similarity	NPD7784	Clinical (unspecified phase)
0.7606	Intermediate Similarity	NPD1203	Approved
0.7606	Intermediate Similarity	NPD2797	Approved
0.7605	Intermediate Similarity	NPD7808	Phase 3
0.7584	Intermediate Similarity	NPD6100	Approved
0.7584	Intermediate Similarity	NPD6099	Approved
0.7576	Intermediate Similarity	NPD5844	Phase 1
0.7569	Intermediate Similarity	NPD4908	Phase 1
0.7564	Intermediate Similarity	NPD3226	Approved
0.7556	Intermediate Similarity	NPD1241	Discontinued
0.7551	Intermediate Similarity	NPD1899	Clinical (unspecified phase)
0.7545	Intermediate Similarity	NPD6559	Discontinued
0.7536	Intermediate Similarity	NPD1548	Phase 1
0.7533	Intermediate Similarity	NPD2346	Discontinued
0.7518	Intermediate Similarity	NPD9717	Approved
0.7517	Intermediate Similarity	NPD1509	Clinical (unspecified phase)
0.7517	Intermediate Similarity	NPD4308	Phase 3
0.75	Intermediate Similarity	NPD4338	Clinical (unspecified phase)
0.75	Intermediate Similarity	NPD4628	Phase 3
0.7471	Intermediate Similarity	NPD4363	Phase 3
0.7471	Intermediate Similarity	NPD4360	Phase 2
0.7468	Intermediate Similarity	NPD7390	Discontinued
0.7451	Intermediate Similarity	NPD2309	Approved
0.7447	Intermediate Similarity	NPD422	Phase 1
0.7438	Intermediate Similarity	NPD4288	Approved
0.7431	Intermediate Similarity	NPD1019	Discontinued
0.7429	Intermediate Similarity	NPD17	Approved
0.7417	Intermediate Similarity	NPD1471	Phase 3
0.7394	Intermediate Similarity	NPD2403	Approved
0.7386	Intermediate Similarity	NPD8090	Clinical (unspecified phase)
0.7386	Intermediate Similarity	NPD6398	Clinical (unspecified phase)
0.7365	Intermediate Similarity	NPD943	Approved
0.7358	Intermediate Similarity	NPD7615	Clinical (unspecified phase)
0.7338	Intermediate Similarity	NPD3295	Clinical (unspecified phase)
0.7338	Intermediate Similarity	NPD3887	Approved
0.733	Intermediate Similarity	NPD4362	Clinical (unspecified phase)
0.733	Intermediate Similarity	NPD4361	Phase 2
0.7329	Intermediate Similarity	NPD1008	Clinical (unspecified phase)
0.7324	Intermediate Similarity	NPD1610	Phase 2
0.7305	Intermediate Similarity	NPD7893	Clinical (unspecified phase)
0.7303	Intermediate Similarity	NPD2355	Clinical (unspecified phase)
0.7303	Intermediate Similarity	NPD2353	Approved
0.7292	Intermediate Similarity	NPD1876	Approved
0.7279	Intermediate Similarity	NPD4625	Phase 3
0.7273	Intermediate Similarity	NPD1608	Approved
0.7248	Intermediate Similarity	NPD3140	Approved
0.7248	Intermediate Similarity	NPD3142	Approved
0.7234	Intermediate Similarity	NPD1651	Approved
0.7233	Intermediate Similarity	NPD7458	Discontinued
0.723	Intermediate Similarity	NPD6798	Discontinued
0.7226	Intermediate Similarity	NPD5535	Approved
0.7219	Intermediate Similarity	NPD1729	Discontinued
0.7205	Intermediate Similarity	NPD6280	Approved
0.7205	Intermediate Similarity	NPD6279	Approved
0.7197	Intermediate Similarity	NPD7004	Clinical (unspecified phase)
0.7176	Intermediate Similarity	NPD7993	Clinical (unspecified phase)
0.7169	Intermediate Similarity	NPD7229	Phase 3
0.7161	Intermediate Similarity	NPD7003	Approved
0.716	Intermediate Similarity	NPD1465	Phase 2
0.7152	Intermediate Similarity	NPD5049	Phase 3
0.7135	Intermediate Similarity	NPD6104	Discontinued
0.7125	Intermediate Similarity	NPD5808	Clinical (unspecified phase)
0.712	Intermediate Similarity	NPD7584	Approved
0.7115	Intermediate Similarity	NPD2354	Approved
0.7099	Intermediate Similarity	NPD6844	Discontinued
0.7089	Intermediate Similarity	NPD4661	Approved
0.7089	Intermediate Similarity	NPD4662	Approved
0.7078	Intermediate Similarity	NPD2343	Clinical (unspecified phase)
0.7066	Intermediate Similarity	NPD3787	Discontinued
0.7066	Intermediate Similarity	NPD5710	Approved
0.7066	Intermediate Similarity	NPD5711	Approved
0.7066	Intermediate Similarity	NPD6808	Phase 2
0.7062	Intermediate Similarity	NPD7879	Clinical (unspecified phase)
0.7045	Intermediate Similarity	NPD4287	Approved
0.7042	Intermediate Similarity	NPD9545	Approved
0.7032	Intermediate Similarity	NPD2424	Discontinued
0.7025	Intermediate Similarity	NPD6143	Clinical (unspecified phase)
0.7021	Intermediate Similarity	NPD9493	Approved
0.7019	Intermediate Similarity	NPD8158	Clinical (unspecified phase)
0.7013	Intermediate Similarity	NPD5405	Approved
0.7013	Intermediate Similarity	NPD5406	Approved
0.7013	Intermediate Similarity	NPD5404	Approved
0.7013	Intermediate Similarity	NPD4477	Approved
0.7013	Intermediate Similarity	NPD5408	Approved
0.7013	Intermediate Similarity	NPD4476	Approved
0.7006	Intermediate Similarity	NPD7199	Phase 2
0.7	Intermediate Similarity	NPD3751	Discontinued
0.7	Intermediate Similarity	NPD411	Approved
0.7	Intermediate Similarity	NPD5940	Clinical (unspecified phase)
0.7	Intermediate Similarity	NPD3764	Approved
0.6994	Remote Similarity	NPD7577	Discontinued
0.6987	Remote Similarity	NPD1652	Phase 2
0.6986	Remote Similarity	NPD4749	Approved
0.698	Remote Similarity	NPD1529	Clinical (unspecified phase)
0.6978	Remote Similarity	NPD7501	Clinical (unspecified phase)
0.6974	Remote Similarity	NPD447	Suspended
0.6974	Remote Similarity	NPD6355	Discontinued
0.697	Remote Similarity	NPD5019	Clinical (unspecified phase)
0.6966	Remote Similarity	NPD1281	Approved
0.6966	Remote Similarity	NPD1201	Approved
0.6954	Remote Similarity	NPD6233	Phase 2
0.6951	Remote Similarity	NPD8455	Phase 2
0.6943	Remote Similarity	NPD7466	Approved
0.6937	Remote Similarity	NPD6273	Approved
0.6928	Remote Similarity	NPD6971	Discontinued
0.6923	Remote Similarity	NPD1894	Discontinued
0.6923	Remote Similarity	NPD5242	Approved

Structure

NPC17848 OpenBabel07101719152D 25 28 0 0 0 0 0 0 0 0999 V2000 -0.2588 -1.9659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7934 -0.3912 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 6.9282 -1.0000 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 6.9282 -0.0000 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 6.0622 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 4.3301 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 5.1962 -0.0000 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 3.4641 2.0000 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 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 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 -0.0000 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 3.0000 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 3.4641 -0.0000 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 21 1 0 0 0 0 2 21 1 0 0 0 0 3 23 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 6 8 2 0 0 0 0 7 13 2 0 0 0 0 8 13 1 0 0 0 0 9 10 2 0 0 0 0 9 14 1 0 0 0 0 10 21 1 0 0 0 0 11 15 1 0 0 0 0 11 16 2 0 0 0 0 12 17 2 0 0 0 0 12 18 1 0 0 0 0 13 16 1 0 0 0 0 14 17 1 0 0 0 0 14 20 2 0 0 0 0 15 19 1 0 0 0 0 15 22 2 0 0 0 0 16 24 1 0 0 0 0 17 25 1 0 0 0 0 18 19 2 0 0 0 0 18 23 1 0 0 0 0 19 20 1 0 0 0 0 20 24 1 0 0 0 0 21 25 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	10958572
ChEMBL	CHEMBL454843
ZINC

Physicochemical Properties

Molecular Weight:	334.12
ALogP:	0.3524
MLogP:	3.33
XLogP:	5.082
# Rotatable Bonds:	5
Polar Surface Area:	44.76
# H-Bond Aceptor:	1
# H-Bond Donor:	0
# Rings:	4
# Heavy Atoms:	25

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