NPASS Natural Product

Natural Product: NPC92754

Natural Product ID:	NPC92754
Common Name:	Propyl Benzoate
IUPAC Name:	propyl benzoate
Synonyms:
Molecular Formula:	C10H12O2
Standard InCHIKey:	UDEWPOVQBGFNGE-UHFFFAOYSA-N
Standard InCHI:	InChI=1S/C10H12O2/c1-2-8-12-10(11)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
Canonical SMILES:	CCCOC(=O)c1ccccc1
First Find Year:
Max Developmental Stage:
Synthetic Gene Cluster:	;

Species Source

Organism ID	Organism Name	Taxonomy Level	Family	SuperKingdom	Reference
NPO28805	Thymus piperella	Species	Lamiaceae	Eukaryota	UNPD*
NPO25981	Crinipellis scabella	Species	Marasmiaceae	Eukaryota	UNPD*
NPO26192	Cordylanthus kingii	Species	Orobanchaceae	Eukaryota	UNPD*
NPO29047	Disynaphia halimifolia	Species	Asteraceae	Eukaryota	UNPD*
NPO28898	Grewia mollis	Species	Malvaceae	Eukaryota	UNPD*
NPO29450	Streptomyces parvisporogenes	Species	Streptomycetaceae	Bacteria	UNPD*
NPO29292	Teucrium depressum	Species	Lamiaceae	Eukaryota	UNPD*
NPO3340	Fridericia chica	Species	Bignoniaceae	Eukaryota	UNPD*
NPO28971	Bersama yangambiensis	Species	Melianthaceae	Eukaryota	UNPD*
NPO29127	Cystophora scalaris	Species	Sargassaceae	Eukaryota	UNPD*
NPO29363	Aconitum nevadense	Species	Ranunculaceae	Eukaryota	UNPD*
NPO29276	Juglans nigra	Species	Juglandaceae	Eukaryota	UNPD*
NPO29068	Papilio phorcas	Species	Papilionidae	Eukaryota	UNPD*
NPO28845	Eragrostis viscosa	Species	Poaceae	Eukaryota	UNPD*
NPO29400	Conocephalum japonicum	Species	Conocephalaceae	Eukaryota	UNPD*
NPO29154	Heliotropium floridum	Species	Heliotropiaceae	Eukaryota	UNPD*
NPO29004	Ruta pinnata	Species	Rutaceae	Eukaryota	UNPD*
NPO29446	Stevia polycephala	Species	Asteraceae	Eukaryota	UNPD*
NPO29488	Sophora angustifolia	Species	Fabaceae	Eukaryota	UNPD*
NPO29203	Gymnocarpium robertianum	Species	Cystopteridaceae	Eukaryota	UNPD*
NPO29381	Trichilia rubescens	Species	Meliaceae	Eukaryota	UNPD*
NPO13818	Narcissus concolor	Species	Amaryllidaceae	Eukaryota	UNPD*
NPO3744	Polycephalomyces nipponicus	Species	Ophiocordycipitaceae	Eukaryota	UNPD*
NPO9157	Rubrivivax gelatinosus	Species	NA	Bacteria	UNPD*
NPO28949	Croton cumingii	Species	Euphorbiaceae	Eukaryota	UNPD*
NPO29314	Mangifera indica	Species	Anacardiaceae	Eukaryota	UNPD*
NPO29510	Aulacocephalus temmincki	Species	Serranidae	Eukaryota	UNPD*
NPO28784	Alseodaphne corneri	Species	Lauraceae	Eukaryota	UNPD*
NPO28864	Nauclea officinalis	Species	Rubiaceae	Eukaryota	UNPD*
NPO29242	Salvia dorrii	Species	Lamiaceae	Eukaryota	UNPD*
NPO29415	Hovenia acerba	Species	Rhamnaceae	Eukaryota	UNPD*
NPO29530	Kaempferia marginata	Species	Zingiberaceae	Eukaryota	UNPD*
NPO29142	Kaunia saltensis	Species	Asteraceae	Eukaryota	UNPD*
NPO29344	Parabenzoin trilobum	NA	NA	NA	UNPD*
NPO27269	Annona impressivenia	Species	Annonaceae	Eukaryota	UNPD*
NPO28937	Heterotheca grandiflora	Species	Asteraceae	Eukaryota	UNPD*
NPO28918	Ophiolepis superba	Species	Ophiolepididae	Eukaryota	UNPD*
NPO29225	Oncoba echinata	Species	Salicaceae	Eukaryota	UNPD*
NPO1245	Eunicella cavolinii	Species	Gorgoniidae	Eukaryota	UNPD*
NPO4055	Aspergillus unguis	Species	Aspergillaceae	Eukaryota	UNPD*
NPO28824	Forsteronia refracta	Species	Apocynaceae	Eukaryota	UNPD*
NPO4244	Doodia picta	Species	Blechnaceae	Eukaryota	UNPD*
NPO27743	Aaptos aaptos	Species	Suberitidae	Eukaryota	UNPD*
NPO29189	Castanopsis sclerophylla	Species	Fagaceae	Eukaryota	UNPD*

Biological Activity

Activity Type	# Activity
AC50	1
Potency	4

Activity Type	# Activity
Individual Protein	3
Others	2

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT483	Individual Protein	Prelamin-A/C	Homo sapiens	Potency	=	35.5	nM	PubChem BioAssay data set
NPT443	Individual Protein	Histone acetyltransferase GCN5	Homo sapiens	Potency		39810.7	nM	PubChem BioAssay data set
NPT199	Individual Protein	DNA polymerase kappa	Homo sapiens	Potency		29934.9	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency		4855.8	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		AC50		7079.5	nM	PubChem BioAssay data set

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 NPC92754 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	144
0.1-0.2	962
0.2-0.3	2386
0.3-0.4	6400
0.4-0.5	8241
0.5-0.6	8515
0.6-0.7	3642
0.7-0.8	482
0.8-0.85	46
0.85-0.9	44
0.9-0.95	18
0.95-1	9

Similarity Score	Similarity Level	Natural Product ID
1.0	High Similarity	NPC276775
1.0	High Similarity	NPC249912
0.989	High Similarity	NPC35448
0.989	High Similarity	NPC225060
0.989	High Similarity	NPC78701
0.9783	High Similarity	NPC146351
0.9778	High Similarity	NPC130398
0.9677	High Similarity	NPC70624
0.957	High Similarity	NPC118343
0.9474	High Similarity	NPC474365
0.9474	High Similarity	NPC301943
0.9468	High Similarity	NPC42211
0.9368	High Similarity	NPC188895
0.9362	High Similarity	NPC203925
0.9362	High Similarity	NPC325497
0.9222	High Similarity	NPC173443
0.9184	High Similarity	NPC119271
0.9091	High Similarity	NPC56493
0.9082	High Similarity	NPC269457
0.9072	High Similarity	NPC89886
0.9	High Similarity	NPC265407
0.9	High Similarity	NPC83628
0.9	High Similarity	NPC10251
0.9	High Similarity	NPC469636
0.9	High Similarity	NPC89377
0.9	High Similarity	NPC474364
0.9	High Similarity	NPC17417
0.898	High Similarity	NPC31786
0.8911	High Similarity	NPC93084
0.8911	High Similarity	NPC196246
0.8911	High Similarity	NPC251854
0.8911	High Similarity	NPC174099
0.8911	High Similarity	NPC214067
0.8889	High Similarity	NPC209632
0.8889	High Similarity	NPC318107
0.8878	High Similarity	NPC60679
0.8824	High Similarity	NPC474157
0.8824	High Similarity	NPC210089
0.8824	High Similarity	NPC476003
0.8824	High Similarity	NPC1082
0.8824	High Similarity	NPC305912
0.8824	High Similarity	NPC260818
0.8804	High Similarity	NPC220893
0.88	High Similarity	NPC30594
0.88	High Similarity	NPC37622
0.8788	High Similarity	NPC114594
0.8778	High Similarity	NPC58616
0.8776	High Similarity	NPC45613
0.8738	High Similarity	NPC82899
0.8738	High Similarity	NPC321852
0.8738	High Similarity	NPC270699
0.8654	High Similarity	NPC128368
0.8654	High Similarity	NPC272524
0.8654	High Similarity	NPC161611
0.8641	High Similarity	NPC167504
0.8632	High Similarity	NPC261181
0.8627	High Similarity	NPC85493
0.8627	High Similarity	NPC269023
0.8627	High Similarity	NPC99846
0.8617	High Similarity	NPC119631
0.8571	High Similarity	NPC153053
0.8571	High Similarity	NPC307651
0.8571	High Similarity	NPC294134
0.8571	High Similarity	NPC308744
0.8571	High Similarity	NPC474363
0.8558	High Similarity	NPC79496
0.8558	High Similarity	NPC158282
0.8558	High Similarity	NPC474314
0.8557	High Similarity	NPC253423
0.8557	High Similarity	NPC270654
0.8511	High Similarity	NPC62765
0.8495	Intermediate Similarity	NPC304760
0.8491	Intermediate Similarity	NPC210092
0.8491	Intermediate Similarity	NPC474685
0.8476	Intermediate Similarity	NPC474176
0.8469	Intermediate Similarity	NPC229242
0.8411	Intermediate Similarity	NPC149691
0.8384	Intermediate Similarity	NPC217621
0.8352	Intermediate Similarity	NPC288903
0.8318	Intermediate Similarity	NPC306740
0.8265	Intermediate Similarity	NPC61944
0.8257	Intermediate Similarity	NPC45104
0.8257	Intermediate Similarity	NPC217423
0.8241	Intermediate Similarity	NPC100353
0.8224	Intermediate Similarity	NPC237366
0.8218	Intermediate Similarity	NPC25458
0.8218	Intermediate Similarity	NPC304873
0.8182	Intermediate Similarity	NPC27633
0.8182	Intermediate Similarity	NPC94298
0.8182	Intermediate Similarity	NPC94637
0.8148	Intermediate Similarity	NPC81808
0.8125	Intermediate Similarity	NPC240108
0.8125	Intermediate Similarity	NPC213156
0.8119	Intermediate Similarity	NPC473325
0.8113	Intermediate Similarity	NPC243355
0.8111	Intermediate Similarity	NPC78517
0.8111	Intermediate Similarity	NPC167577
0.8108	Intermediate Similarity	NPC90522
0.8108	Intermediate Similarity	NPC328459
0.8091	Intermediate Similarity	NPC469574
0.8073	Intermediate Similarity	NPC220540
0.8073	Intermediate Similarity	NPC188907
0.8056	Intermediate Similarity	NPC196075
0.8056	Intermediate Similarity	NPC477411
0.8043	Intermediate Similarity	NPC323103
0.8039	Intermediate Similarity	NPC284477
0.8036	Intermediate Similarity	NPC72977
0.8036	Intermediate Similarity	NPC473243
0.8022	Intermediate Similarity	NPC121800
0.8021	Intermediate Similarity	NPC9822
0.802	Intermediate Similarity	NPC228435
0.802	Intermediate Similarity	NPC472318
0.802	Intermediate Similarity	NPC98911
0.8	Intermediate Similarity	NPC131192
0.8	Intermediate Similarity	NPC128825
0.8	Intermediate Similarity	NPC176228
0.8	Intermediate Similarity	NPC470391
0.7981	Intermediate Similarity	NPC105899
0.7965	Intermediate Similarity	NPC50872
0.7961	Intermediate Similarity	NPC255676
0.7961	Intermediate Similarity	NPC234305
0.7961	Intermediate Similarity	NPC160382
0.7959	Intermediate Similarity	NPC77273
0.7957	Intermediate Similarity	NPC270507
0.7941	Intermediate Similarity	NPC282895
0.7938	Intermediate Similarity	NPC185501
0.7935	Intermediate Similarity	NPC89950
0.7935	Intermediate Similarity	NPC303245
0.7928	Intermediate Similarity	NPC240664
0.7912	Intermediate Similarity	NPC170484
0.7909	Intermediate Similarity	NPC226093
0.7905	Intermediate Similarity	NPC1065
0.7895	Intermediate Similarity	NPC26285
0.789	Intermediate Similarity	NPC53953
0.7889	Intermediate Similarity	NPC3672
0.7889	Intermediate Similarity	NPC287790
0.7885	Intermediate Similarity	NPC85977
0.7876	Intermediate Similarity	NPC230951
0.7876	Intermediate Similarity	NPC233282
0.787	Intermediate Similarity	NPC212415
0.787	Intermediate Similarity	NPC57879
0.787	Intermediate Similarity	NPC23332
0.787	Intermediate Similarity	NPC54626
0.7857	Intermediate Similarity	NPC110704
0.7849	Intermediate Similarity	NPC106313
0.7849	Intermediate Similarity	NPC103387
0.7838	Intermediate Similarity	NPC470860
0.783	Intermediate Similarity	NPC249811
0.7826	Intermediate Similarity	NPC472703
0.7826	Intermediate Similarity	NPC223351
0.7826	Intermediate Similarity	NPC291189
0.7826	Intermediate Similarity	NPC69403
0.7822	Intermediate Similarity	NPC325499
0.7818	Intermediate Similarity	NPC474095
0.7818	Intermediate Similarity	NPC252004
0.7812	Intermediate Similarity	NPC96625
0.78	Intermediate Similarity	NPC5472
0.7798	Intermediate Similarity	NPC13784
0.7788	Intermediate Similarity	NPC61779
0.7788	Intermediate Similarity	NPC179686
0.7778	Intermediate Similarity	NPC183648
0.7778	Intermediate Similarity	NPC175393
0.7768	Intermediate Similarity	NPC228318
0.7766	Intermediate Similarity	NPC308619
0.7766	Intermediate Similarity	NPC324835
0.7766	Intermediate Similarity	NPC127491
0.7766	Intermediate Similarity	NPC285773
0.7759	Intermediate Similarity	NPC472704
0.7757	Intermediate Similarity	NPC281604
0.7748	Intermediate Similarity	NPC135730
0.7745	Intermediate Similarity	NPC160548
0.7745	Intermediate Similarity	NPC210529
0.7745	Intermediate Similarity	NPC175852
0.7742	Intermediate Similarity	NPC165212
0.7736	Intermediate Similarity	NPC475203
0.7736	Intermediate Similarity	NPC474376
0.7736	Intermediate Similarity	NPC472316
0.7736	Intermediate Similarity	NPC472315
0.7714	Intermediate Similarity	NPC249067
0.7714	Intermediate Similarity	NPC269644
0.77	Intermediate Similarity	NPC23453
0.7699	Intermediate Similarity	NPC293424
0.7692	Intermediate Similarity	NPC295664
0.7692	Intermediate Similarity	NPC221798
0.7692	Intermediate Similarity	NPC246166
0.7692	Intermediate Similarity	NPC184219
0.7692	Intermediate Similarity	NPC125053
0.7685	Intermediate Similarity	NPC234639
0.7672	Intermediate Similarity	NPC475692
0.7672	Intermediate Similarity	NPC474283
0.7658	Intermediate Similarity	NPC228936
0.7642	Intermediate Similarity	NPC128730
0.7636	Intermediate Similarity	NPC17693
0.7632	Intermediate Similarity	NPC204784
0.7629	Intermediate Similarity	NPC286608
0.7629	Intermediate Similarity	NPC169050
0.7629	Intermediate Similarity	NPC322387
0.7627	Intermediate Similarity	NPC49938
0.7627	Intermediate Similarity	NPC470765
0.7627	Intermediate Similarity	NPC476599

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC92754 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	154
0.1-0.2	881
0.2-0.3	1184
0.3-0.4	2677
0.4-0.5	2556
0.5-0.6	1198
0.6-0.7	422
0.7-0.8	77
0.8-0.85	3
0.85-0.9	7
0.9-0.95	1
0.95-1	1

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.957	High Similarity	NPD1238	Approved
0.9	High Similarity	NPD2182	Approved
0.898	High Similarity	NPD164	Approved
0.8889	High Similarity	NPD9259	Approved
0.8889	High Similarity	NPD9257	Approved
0.8824	High Similarity	NPD2181	Clinical (unspecified phase)
0.8632	High Similarity	NPD1202	Approved
0.8511	High Similarity	NPD9258	Approved
0.8511	High Similarity	NPD9256	Approved
0.8182	Intermediate Similarity	NPD9545	Approved
0.8163	Intermediate Similarity	NPD9260	Approved
0.8	Intermediate Similarity	NPD9493	Approved
0.7912	Intermediate Similarity	NPD9490	Approved
0.787	Intermediate Similarity	NPD1609	Clinical (unspecified phase)
0.7818	Intermediate Similarity	NPD690	Clinical (unspecified phase)
0.7766	Intermediate Similarity	NPD9491	Approved
0.7757	Intermediate Similarity	NPD6831	Clinical (unspecified phase)
0.7745	Intermediate Similarity	NPD9495	Approved
0.7739	Intermediate Similarity	NPD6287	Discontinued
0.7727	Intermediate Similarity	NPD1241	Discontinued
0.7723	Intermediate Similarity	NPD1989	Approved
0.7714	Intermediate Similarity	NPD1237	Approved
0.7692	Intermediate Similarity	NPD2198	Approved
0.7692	Intermediate Similarity	NPD2199	Approved
0.7685	Intermediate Similarity	NPD2067	Discontinued
0.7629	Intermediate Similarity	NPD1282	Approved
0.7629	Intermediate Similarity	NPD1087	Approved
0.7627	Intermediate Similarity	NPD552	Approved
0.7627	Intermediate Similarity	NPD9567	Approved
0.7627	Intermediate Similarity	NPD553	Approved
0.7619	Intermediate Similarity	NPD9261	Approved
0.7609	Intermediate Similarity	NPD225	Approved
0.7609	Intermediate Similarity	NPD227	Approved
0.7586	Intermediate Similarity	NPD518	Clinical (unspecified phase)
0.7576	Intermediate Similarity	NPD3673	Approved
0.7576	Intermediate Similarity	NPD3672	Approved
0.757	Intermediate Similarity	NPD3134	Approved
0.7563	Intermediate Similarity	NPD1019	Discontinued
0.7521	Intermediate Similarity	NPD9717	Approved
0.75	Intermediate Similarity	NPD1358	Approved
0.7477	Intermediate Similarity	NPD5277	Phase 2
0.7475	Intermediate Similarity	NPD800	Approved
0.7453	Intermediate Similarity	NPD1930	Approved
0.7453	Intermediate Similarity	NPD1931	Clinical (unspecified phase)
0.7453	Intermediate Similarity	NPD1929	Approved
0.7438	Intermediate Similarity	NPD6832	Phase 2
0.74	Intermediate Similarity	NPD1090	Approved
0.74	Intermediate Similarity	NPD1086	Approved
0.74	Intermediate Similarity	NPD1089	Approved
0.7387	Intermediate Similarity	NPD9508	Approved
0.7383	Intermediate Similarity	NPD5909	Discontinued
0.7377	Intermediate Similarity	NPD5952	Clinical (unspecified phase)
0.7368	Intermediate Similarity	NPD226	Approved
0.7345	Intermediate Similarity	NPD5951	Approved
0.7339	Intermediate Similarity	NPD9265	Clinical (unspecified phase)
0.7339	Intermediate Similarity	NPD9264	Approved
0.7339	Intermediate Similarity	NPD9263	Approved
0.7339	Intermediate Similarity	NPD9267	Approved
0.7333	Intermediate Similarity	NPD2066	Phase 3
0.7304	Intermediate Similarity	NPD2347	Approved
0.729	Intermediate Similarity	NPD6647	Phase 2
0.7288	Intermediate Similarity	NPD1547	Clinical (unspecified phase)
0.7273	Intermediate Similarity	NPD74	Approved
0.7273	Intermediate Similarity	NPD9266	Approved
0.7265	Intermediate Similarity	NPD3412	Clinical (unspecified phase)
0.7255	Intermediate Similarity	NPD1088	Approved
0.7238	Intermediate Similarity	NPD5926	Approved
0.7236	Intermediate Similarity	NPD7008	Discontinued
0.72	Intermediate Similarity	NPD3373	Approved
0.7193	Intermediate Similarity	NPD2629	Approved
0.719	Intermediate Similarity	NPD1203	Approved
0.7184	Intermediate Similarity	NPD1563	Approved
0.7157	Intermediate Similarity	NPD1239	Approved
0.7156	Intermediate Similarity	NPD9697	Approved
0.7143	Intermediate Similarity	NPD1899	Clinical (unspecified phase)
0.7129	Intermediate Similarity	NPD689	Discontinued
0.7115	Intermediate Similarity	NPD1693	Approved
0.7097	Intermediate Similarity	NPD9716	Approved
0.7094	Intermediate Similarity	NPD1894	Discontinued
0.7083	Intermediate Similarity	NPD3972	Approved
0.708	Intermediate Similarity	NPD969	Suspended
0.7037	Intermediate Similarity	NPD1932	Approved
0.7031	Intermediate Similarity	NPD2670	Approved
0.7031	Intermediate Similarity	NPD2567	Approved
0.7031	Intermediate Similarity	NPD2569	Approved
0.7019	Intermediate Similarity	NPD5122	Clinical (unspecified phase)
0.701	Intermediate Similarity	NPD942	Approved
0.7008	Intermediate Similarity	NPD230	Phase 1
0.7008	Intermediate Similarity	NPD1933	Approved
0.6992	Remote Similarity	NPD6007	Clinical (unspecified phase)
0.6981	Remote Similarity	NPD1566	Phase 3
0.6981	Remote Similarity	NPD1564	Approved
0.6981	Remote Similarity	NPD1565	Approved
0.6977	Remote Similarity	NPD3170	Approved
0.6977	Remote Similarity	NPD1109	Approved
0.6977	Remote Similarity	NPD1110	Approved
0.6975	Remote Similarity	NPD17	Approved
0.6975	Remote Similarity	NPD7163	Clinical (unspecified phase)
0.6975	Remote Similarity	NPD1362	Clinical (unspecified phase)
0.6975	Remote Similarity	NPD1104	Approved
0.6967	Remote Similarity	NPD1876	Approved
0.6967	Remote Similarity	NPD5667	Approved
0.6961	Remote Similarity	NPD5346	Phase 2
0.6961	Remote Similarity	NPD5347	Phase 2
0.696	Remote Similarity	NPD6039	Approved
0.6953	Remote Similarity	NPD1654	Clinical (unspecified phase)
0.6953	Remote Similarity	NPD3528	Clinical (unspecified phase)
0.6952	Remote Similarity	NPD688	Clinical (unspecified phase)
0.6947	Remote Similarity	NPD9294	Approved
0.6931	Remote Similarity	NPD650	Approved
0.6931	Remote Similarity	NPD4793	Discontinued
0.6929	Remote Similarity	NPD4307	Phase 2
0.6905	Remote Similarity	NPD411	Approved
0.6905	Remote Similarity	NPD2313	Discontinued
0.6905	Remote Similarity	NPD3764	Approved
0.6903	Remote Similarity	NPD5237	Approved
0.6903	Remote Similarity	NPD5236	Approved
0.6903	Remote Similarity	NPD4234	Approved
0.6903	Remote Similarity	NPD5235	Approved
0.6903	Remote Similarity	NPD1752	Approved
0.6903	Remote Similarity	NPD4233	Approved
0.6903	Remote Similarity	NPD1756	Approved
0.6903	Remote Similarity	NPD5239	Approved
0.6903	Remote Similarity	NPD5240	Approved
0.6897	Remote Similarity	NPD9281	Approved
0.6891	Remote Similarity	NPD5585	Approved
0.6875	Remote Similarity	NPD447	Suspended
0.687	Remote Similarity	NPD2343	Clinical (unspecified phase)
0.687	Remote Similarity	NPD7702	Clinical (unspecified phase)
0.686	Remote Similarity	NPD1281	Approved
0.6855	Remote Similarity	NPD2798	Approved
0.6852	Remote Similarity	NPD7798	Approved
0.685	Remote Similarity	NPD7713	Phase 3
0.6842	Remote Similarity	NPD2201	Approved
0.6838	Remote Similarity	NPD4198	Discontinued
0.6833	Remote Similarity	NPD1778	Approved
0.6833	Remote Similarity	NPD5306	Approved
0.6833	Remote Similarity	NPD5305	Approved
0.6814	Remote Similarity	NPD2329	Discontinued
0.6803	Remote Similarity	NPD1608	Approved
0.68	Remote Similarity	NPD9494	Approved
0.6797	Remote Similarity	NPD3142	Approved
0.6797	Remote Similarity	NPD3140	Approved
0.6794	Remote Similarity	NPD1551	Phase 2
0.678	Remote Similarity	NPD694	Clinical (unspecified phase)
0.6777	Remote Similarity	NPD4136	Approved
0.6777	Remote Similarity	NPD1889	Phase 1
0.6777	Remote Similarity	NPD7457	Clinical (unspecified phase)
0.6777	Remote Similarity	NPD4106	Approved
0.6777	Remote Similarity	NPD4135	Approved
0.6774	Remote Similarity	NPD2797	Approved
0.6774	Remote Similarity	NPD3266	Approved
0.6774	Remote Similarity	NPD3267	Approved
0.6772	Remote Similarity	NPD9471	Clinical (unspecified phase)
0.6767	Remote Similarity	NPD7421	Clinical (unspecified phase)
0.6765	Remote Similarity	NPD506	Clinical (unspecified phase)
0.6754	Remote Similarity	NPD1317	Discontinued
0.6754	Remote Similarity	NPD3646	Clinical (unspecified phase)
0.6752	Remote Similarity	NPD1246	Approved
0.675	Remote Similarity	NPD5691	Approved
0.6748	Remote Similarity	NPD182	Clinical (unspecified phase)
0.6724	Remote Similarity	NPD2607	Approved
0.6721	Remote Similarity	NPD4806	Approved
0.6721	Remote Similarity	NPD4807	Approved
0.6719	Remote Similarity	NPD520	Approved
0.6718	Remote Similarity	NPD4308	Phase 3
0.6718	Remote Similarity	NPD2799	Discontinued
0.6716	Remote Similarity	NPD4628	Phase 3
0.6694	Remote Similarity	NPD1283	Approved
0.6692	Remote Similarity	NPD6414	Clinical (unspecified phase)
0.6667	Remote Similarity	NPD2650	Approved
0.6667	Remote Similarity	NPD6637	Approved
0.6667	Remote Similarity	NPD2935	Discontinued
0.6667	Remote Similarity	NPD454	Approved
0.6667	Remote Similarity	NPD3887	Approved
0.6667	Remote Similarity	NPD7609	Phase 3
0.6667	Remote Similarity	NPD9250	Approved
0.6667	Remote Similarity	NPD2652	Approved
0.6667	Remote Similarity	NPD1481	Phase 2
0.6639	Remote Similarity	NPD3496	Discontinued
0.6639	Remote Similarity	NPD5291	Approved
0.6639	Remote Similarity	NPD5292	Approved
0.6636	Remote Similarity	NPD2550	Approved
0.6636	Remote Similarity	NPD2552	Approved
0.6636	Remote Similarity	NPD2553	Approved
0.6636	Remote Similarity	NPD2549	Approved
0.6636	Remote Similarity	NPD2558	Approved
0.6636	Remote Similarity	NPD2555	Approved
0.6618	Remote Similarity	NPD7236	Approved
0.6617	Remote Similarity	NPD2346	Discontinued
0.6617	Remote Similarity	NPD2355	Clinical (unspecified phase)
0.6617	Remote Similarity	NPD7611	Approved
0.6617	Remote Similarity	NPD2353	Approved
0.6613	Remote Similarity	NPD4359	Approved
0.6613	Remote Similarity	NPD5157	Phase 1
0.6613	Remote Similarity	NPD5158	Clinical (unspecified phase)
0.6613	Remote Similarity	NPD5159	Phase 2
0.6612	Remote Similarity	NPD4105	Approved
0.6612	Remote Similarity	NPD4102	Approved
0.661	Remote Similarity	NPD4766	Approved

Structure

External Identifiers

PubChem CID	16846
ChEMBL	CHEMBL1355077
ZINC

Physicochemical Properties

Molecular Weight:	164.08
ALogP:	-0.3162
MLogP:	2.34
XLogP:	3.768
# Rotatable Bonds:	5
Polar Surface Area:	26.3
# H-Bond Aceptor:	2
# H-Bond Donor:	0
# Rings:	1
# Heavy Atoms:	12

Download Data

Data Type	Select
General Info & Identifiers & Properties
Structure MOL file
Source Organisms
Biological Activities
Similar NPs/Drugs