NPASS Natural Product

Natural Product: NPC282508

Natural Product ID:	NPC282508
Common Name:	8-(4-Hydroxy-Benzyl)-7-Methoxy-9,10-Dihydro-Phenanthrene-2,5-Diol
IUPAC Name:	8-[(4-hydroxyphenyl)methyl]-7-methoxy-9,10-dihydrophenanthrene-2,5-diol
Synonyms:
Molecular Formula:	C22H20O4
Standard InCHIKey:	MXOFIBMBNJWOFF-UHFFFAOYSA-N
Standard InCHI:	InChI=1S/C22H20O4/c1-26-21-12-20(25)22-17-9-7-16(24)11-14(17)4-8-18(22)19(21)10-13-2-5-15(23)6-3-13/h2-3,5-7,9,11-12,23-25H,4,8,10H2,1H3
Canonical SMILES:	COc1cc(O)c2c(c1Cc1ccc(cc1)O)CCc1c2ccc(c1)O
First Find Year:
Max Developmental Stage:
Synthetic Gene Cluster:	;

Species Source

Organism ID	Organism Name	Taxonomy Level	Family	SuperKingdom	Reference
NPO3987	Syzygium aromaticum	Species	Myrtaceae	Eukaryota	UNPD*
NPO10780	Bletilla striata	Species	Orchidaceae	Eukaryota	PMID[15686910]
NPO12919	Clibadium glabrescens	Species	Asteraceae	Eukaryota	UNPD*
NPO13511	Monopteryx inpae	Species	Fabaceae	Eukaryota	UNPD*
NPO13913	Ravensara aromatica	Species	Lauraceae	Eukaryota	UNPD*
NPO15591	Tolpis webbii	Species	Asteraceae	Eukaryota	UNPD*
NPO16226	Prinsepia utilis	Species	Rosaceae	Eukaryota	UNPD*
NPO3644	Climacoptera lanata	Species	Chenopodiaceae	Eukaryota	UNPD*
NPO13319	Isodon lungshengensis	Species	Lamiaceae	Eukaryota	UNPD*
NPO7186	Hypogymnia enteromorpha	Species	Parmeliaceae	Eukaryota	UNPD*
NPO8787	Ariocarpus scapharostrus	Species	Cactaceae	Eukaryota	UNPD*
NPO11479	Sargassum siliquastrum	Species	Sargassaceae	Eukaryota	UNPD*
NPO445	Desmarestia aculeata	Species	Desmarestiaceae	Eukaryota	UNPD*
NPO17553	Pleione bulbocodioides	Species	Orchidaceae	Eukaryota	TCM_Taiwan*
NPO13086	Streptomyces carzinostaticus	Species	Streptomycetaceae	Bacteria	UNPD*
NPO6224	Grindelia boliviana	Species	Asteraceae	Eukaryota	UNPD*
NPO12597	Eria barbata	Species	Orchidaceae	Eukaryota	UNPD*
NPO14509	Stevia seleriana	Species	Asteraceae	Eukaryota	UNPD*
NPO14620	Sedum alfredi	Species	Crassulaceae	Eukaryota	UNPD*
NPO11893	Telesto riisei	Species	Telestidae	Eukaryota	UNPD*
NPO26125	Pseudomonas corrugata	Species	Pseudomonadaceae	Bacteria	UNPD*
NPO8734	Centaurea pabotii	Species	Asteraceae	Eukaryota	UNPD*
NPO10780	Bletilla striata	Species	Orchidaceae	Eukaryota	TCMSP*

Biological Activity

Activity Type	# Activity
IC50	1

Activity Type	# Activity
Individual Protein	1

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT2698	Individual Protein	Beta tubulin	Leishmania donovani	IC50	=	300000	nM	15686910

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 NPC282508 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	283
0.1-0.2	1327
0.2-0.3	2338
0.3-0.4	7033
0.4-0.5	6337
0.5-0.6	2618
0.6-0.7	5369
0.7-0.8	4755
0.8-0.85	579
0.85-0.9	186
0.9-0.95	46
0.95-1	18

Similarity Score	Similarity Level	Natural Product ID
0.976	High Similarity	NPC254000
0.9688	High Similarity	NPC258780
0.9688	High Similarity	NPC37410
0.9612	High Similarity	NPC472647
0.9612	High Similarity	NPC191462
0.9612	High Similarity	NPC133463
0.9612	High Similarity	NPC170328
0.9612	High Similarity	NPC472649
0.9612	High Similarity	NPC206525
0.9612	High Similarity	NPC472648
0.96	High Similarity	NPC215300
0.9597	High Similarity	NPC170485
0.9538	High Similarity	NPC71465
0.9538	High Similarity	NPC472646
0.9524	High Similarity	NPC471518
0.9524	High Similarity	NPC471519
0.952	High Similarity	NPC53781
0.9516	High Similarity	NPC113495
0.9444	High Similarity	NPC38017
0.9435	High Similarity	NPC228503
0.9435	High Similarity	NPC138248
0.9394	High Similarity	NPC273623
0.9375	High Similarity	NPC473309
0.936	High Similarity	NPC278955
0.936	High Similarity	NPC105031
0.936	High Similarity	NPC105718
0.9254	High Similarity	NPC183709
0.9242	High Similarity	NPC266006
0.9225	High Similarity	NPC471517
0.9213	High Similarity	NPC473221
0.9194	High Similarity	NPC476633
0.9173	High Similarity	NPC243996
0.9173	High Similarity	NPC275061
0.9173	High Similarity	NPC132804
0.9173	High Similarity	NPC220344
0.9134	High Similarity	NPC82299
0.9113	High Similarity	NPC102639
0.9104	High Similarity	NPC308768
0.9104	High Similarity	NPC12668
0.9098	High Similarity	NPC56329
0.9098	High Similarity	NPC200935
0.9098	High Similarity	NPC230919
0.9098	High Similarity	NPC242715
0.9098	High Similarity	NPC22902
0.9098	High Similarity	NPC266453
0.9091	High Similarity	NPC294884
0.9091	High Similarity	NPC158142
0.9091	High Similarity	NPC69029
0.9091	High Similarity	NPC241241
0.9091	High Similarity	NPC10314
0.9091	High Similarity	NPC200557
0.9091	High Similarity	NPC108198
0.9084	High Similarity	NPC469610
0.9077	High Similarity	NPC8899
0.903	High Similarity	NPC105847
0.903	High Similarity	NPC243759
0.903	High Similarity	NPC218131
0.9023	High Similarity	NPC202846
0.9023	High Similarity	NPC143139
0.9023	High Similarity	NPC205442
0.9023	High Similarity	NPC30632
0.9015	High Similarity	NPC125649
0.9015	High Similarity	NPC473107
0.9008	High Similarity	NPC469611
0.8971	High Similarity	NPC175838
0.8955	High Similarity	NPC151656
0.8947	High Similarity	NPC125579
0.8947	High Similarity	NPC313081
0.8947	High Similarity	NPC11727
0.8947	High Similarity	NPC15109
0.8931	High Similarity	NPC149337
0.8931	High Similarity	NPC15543
0.8931	High Similarity	NPC471983
0.8931	High Similarity	NPC160623
0.8923	High Similarity	NPC16577
0.8921	High Similarity	NPC262297
0.8897	High Similarity	NPC472089
0.8889	High Similarity	NPC212942
0.8889	High Similarity	NPC29868
0.8889	High Similarity	NPC79622
0.888	High Similarity	NPC103916
0.8872	High Similarity	NPC160697
0.8871	High Similarity	NPC131118
0.8864	High Similarity	NPC303144
0.8849	High Similarity	NPC274454
0.8849	High Similarity	NPC215678
0.8849	High Similarity	NPC126291
0.8832	High Similarity	NPC472087
0.8832	High Similarity	NPC472088
0.8824	High Similarity	NPC472090
0.8824	High Similarity	NPC34431
0.8824	High Similarity	NPC73505
0.8824	High Similarity	NPC165026
0.8824	High Similarity	NPC472091
0.8824	High Similarity	NPC295719
0.8824	High Similarity	NPC472092
0.8806	High Similarity	NPC472370
0.8806	High Similarity	NPC111655
0.88	High Similarity	NPC184302
0.879	High Similarity	NPC50521
0.879	High Similarity	NPC244816
0.879	High Similarity	NPC33270
0.879	High Similarity	NPC195466
0.879	High Similarity	NPC221549
0.879	High Similarity	NPC474933
0.879	High Similarity	NPC69261
0.8788	High Similarity	NPC237424
0.8788	High Similarity	NPC238168
0.8786	High Similarity	NPC153182
0.8786	High Similarity	NPC174251
0.8779	High Similarity	NPC96719
0.8779	High Similarity	NPC222108
0.8769	High Similarity	NPC46978
0.8769	High Similarity	NPC471986
0.876	High Similarity	NPC293801
0.875	High Similarity	NPC184613
0.875	High Similarity	NPC55947
0.8741	High Similarity	NPC141717
0.8741	High Similarity	NPC471522
0.8731	High Similarity	NPC209199
0.8722	High Similarity	NPC14224
0.8722	High Similarity	NPC228843
0.8722	High Similarity	NPC161958
0.872	High Similarity	NPC190514
0.872	High Similarity	NPC63010
0.8712	High Similarity	NPC126836
0.871	High Similarity	NPC150624
0.871	High Similarity	NPC229147
0.871	High Similarity	NPC141090
0.871	High Similarity	NPC203113
0.871	High Similarity	NPC85292
0.871	High Similarity	NPC54507
0.8702	High Similarity	NPC38664
0.8702	High Similarity	NPC53986
0.8692	High Similarity	NPC223953
0.8686	High Similarity	NPC213607
0.8686	High Similarity	NPC182509
0.8686	High Similarity	NPC20520
0.8686	High Similarity	NPC174787
0.8686	High Similarity	NPC61783
0.8676	High Similarity	NPC470307
0.8676	High Similarity	NPC90615
0.8676	High Similarity	NPC470308
0.8676	High Similarity	NPC272157
0.8676	High Similarity	NPC201145
0.8676	High Similarity	NPC73535
0.8676	High Similarity	NPC25111
0.8676	High Similarity	NPC6262
0.8672	High Similarity	NPC18128
0.8672	High Similarity	NPC57199
0.8672	High Similarity	NPC77789
0.8657	High Similarity	NPC32778
0.8647	High Similarity	NPC244888
0.8647	High Similarity	NPC68205
0.8647	High Similarity	NPC472590
0.8647	High Similarity	NPC118683
0.8647	High Similarity	NPC164804
0.8647	High Similarity	NPC293203
0.8647	High Similarity	NPC211413
0.864	High Similarity	NPC127894
0.864	High Similarity	NPC15860
0.864	High Similarity	NPC470759
0.864	High Similarity	NPC219070
0.8636	High Similarity	NPC134360
0.8636	High Similarity	NPC93962
0.8629	High Similarity	NPC808
0.8629	High Similarity	NPC53906
0.8629	High Similarity	NPC185541
0.8629	High Similarity	NPC464
0.8629	High Similarity	NPC167934
0.8626	High Similarity	NPC473134
0.8623	High Similarity	NPC265075
0.8615	High Similarity	NPC188022
0.8615	High Similarity	NPC105925
0.8615	High Similarity	NPC102540
0.8615	High Similarity	NPC103420
0.8615	High Similarity	NPC285040
0.8615	High Similarity	NPC17809
0.8613	High Similarity	NPC230124
0.8613	High Similarity	NPC32630
0.8613	High Similarity	NPC6300
0.8613	High Similarity	NPC114171
0.8603	High Similarity	NPC300846
0.8603	High Similarity	NPC476639
0.8603	High Similarity	NPC114155
0.8601	High Similarity	NPC205501
0.8601	High Similarity	NPC162976
0.8601	High Similarity	NPC118000
0.8593	High Similarity	NPC476617
0.8593	High Similarity	NPC476615
0.8593	High Similarity	NPC476616
0.8582	High Similarity	NPC218884
0.8571	High Similarity	NPC36732
0.8561	High Similarity	NPC274717
0.8561	High Similarity	NPC154866
0.8561	High Similarity	NPC28765
0.8561	High Similarity	NPC277784
0.856	High Similarity	NPC114064
0.856	High Similarity	NPC261973
0.855	High Similarity	NPC276212

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC282508 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	278
0.1-0.2	1046
0.2-0.3	1193
0.3-0.4	2718
0.4-0.5	1973
0.5-0.6	1084
0.6-0.7	686
0.7-0.8	172
0.8-0.85	8
0.85-0.9	2
0.9-0.95	1
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.9	High Similarity	NPD4907	Clinical (unspecified phase)
0.8923	High Similarity	NPD4625	Phase 3
0.8846	High Similarity	NPD4908	Phase 1
0.8321	Intermediate Similarity	NPD3600	Clinical (unspecified phase)
0.8308	Intermediate Similarity	NPD1610	Phase 2
0.8182	Intermediate Similarity	NPD4749	Approved
0.814	Intermediate Similarity	NPD1548	Phase 1
0.8134	Intermediate Similarity	NPD6917	Clinical (unspecified phase)
0.8088	Intermediate Similarity	NPD3027	Phase 3
0.8029	Intermediate Similarity	NPD6410	Clinical (unspecified phase)
0.8015	Intermediate Similarity	NPD1529	Clinical (unspecified phase)
0.7941	Intermediate Similarity	NPD1530	Clinical (unspecified phase)
0.7929	Intermediate Similarity	NPD4097	Suspended
0.7922	Intermediate Similarity	NPD6959	Discontinued
0.7914	Intermediate Similarity	NPD1613	Approved
0.7914	Intermediate Similarity	NPD1612	Clinical (unspecified phase)
0.7879	Intermediate Similarity	NPD4626	Approved
0.7871	Intermediate Similarity	NPD6232	Discontinued
0.7847	Intermediate Similarity	NPD5698	Clinical (unspecified phase)
0.784	Intermediate Similarity	NPD2342	Discontinued
0.781	Intermediate Similarity	NPD2861	Phase 2
0.7786	Intermediate Similarity	NPD4060	Phase 1
0.7778	Intermediate Similarity	NPD7768	Phase 2
0.7755	Intermediate Similarity	NPD7040	Clinical (unspecified phase)
0.7755	Intermediate Similarity	NPD7041	Phase 2
0.7722	Intermediate Similarity	NPD7473	Discontinued
0.7717	Intermediate Similarity	NPD4750	Phase 3
0.7703	Intermediate Similarity	NPD7447	Phase 1
0.7681	Intermediate Similarity	NPD3018	Phase 2
0.7671	Intermediate Similarity	NPD3750	Approved
0.7671	Intermediate Similarity	NPD7003	Approved
0.7669	Intermediate Similarity	NPD1651	Approved
0.7639	Intermediate Similarity	NPD6099	Approved
0.7639	Intermediate Similarity	NPD6100	Approved
0.7635	Intermediate Similarity	NPD7213	Phase 3
0.7635	Intermediate Similarity	NPD7212	Phase 2
0.7635	Intermediate Similarity	NPD7390	Discontinued
0.7625	Intermediate Similarity	NPD5844	Phase 1
0.7609	Intermediate Similarity	NPD4624	Approved
0.7597	Intermediate Similarity	NPD8443	Clinical (unspecified phase)
0.7591	Intermediate Similarity	NPD6696	Suspended
0.7591	Intermediate Similarity	NPD1283	Approved
0.7584	Intermediate Similarity	NPD4378	Clinical (unspecified phase)
0.7584	Intermediate Similarity	NPD7410	Clinical (unspecified phase)
0.7582	Intermediate Similarity	NPD37	Approved
0.7581	Intermediate Similarity	NPD940	Approved
0.7581	Intermediate Similarity	NPD846	Approved
0.7538	Intermediate Similarity	NPD7635	Approved
0.7537	Intermediate Similarity	NPD5691	Approved
0.7534	Intermediate Similarity	NPD7037	Approved
0.7532	Intermediate Similarity	NPD7229	Phase 3
0.7532	Intermediate Similarity	NPD7819	Suspended
0.7518	Intermediate Similarity	NPD2983	Phase 2
0.7518	Intermediate Similarity	NPD1669	Approved
0.7518	Intermediate Similarity	NPD6812	Clinical (unspecified phase)
0.7518	Intermediate Similarity	NPD6859	Clinical (unspecified phase)
0.7518	Intermediate Similarity	NPD2982	Phase 2
0.7517	Intermediate Similarity	NPD5406	Approved
0.7517	Intermediate Similarity	NPD5405	Approved
0.7517	Intermediate Similarity	NPD5404	Approved
0.7517	Intermediate Similarity	NPD5408	Approved
0.75	Intermediate Similarity	NPD422	Phase 1
0.75	Intermediate Similarity	NPD1242	Phase 1
0.7483	Intermediate Similarity	NPD5124	Phase 1
0.7483	Intermediate Similarity	NPD5123	Clinical (unspecified phase)
0.7482	Intermediate Similarity	NPD6584	Phase 3
0.7481	Intermediate Similarity	NPD5283	Phase 1
0.7467	Intermediate Similarity	NPD7004	Clinical (unspecified phase)
0.7452	Intermediate Similarity	NPD6234	Discontinued
0.7448	Intermediate Similarity	NPD1510	Phase 2
0.7445	Intermediate Similarity	NPD2981	Phase 2
0.7442	Intermediate Similarity	NPD5451	Approved
0.7439	Intermediate Similarity	NPD8453	Clinical (unspecified phase)
0.7438	Intermediate Similarity	NPD7852	Clinical (unspecified phase)
0.7436	Intermediate Similarity	NPD4965	Approved
0.7436	Intermediate Similarity	NPD4966	Approved
0.7436	Intermediate Similarity	NPD4967	Phase 2
0.7432	Intermediate Similarity	NPD3892	Phase 2
0.7432	Intermediate Similarity	NPD6398	Clinical (unspecified phase)
0.7431	Intermediate Similarity	NPD1607	Approved
0.7419	Intermediate Similarity	NPD2393	Clinical (unspecified phase)
0.7415	Intermediate Similarity	NPD970	Clinical (unspecified phase)
0.7413	Intermediate Similarity	NPD3620	Phase 2
0.7413	Intermediate Similarity	NPD3619	Clinical (unspecified phase)
0.7413	Intermediate Similarity	NPD1240	Approved
0.7403	Intermediate Similarity	NPD7411	Suspended
0.7397	Intermediate Similarity	NPD2935	Discontinued
0.7391	Intermediate Similarity	NPD5327	Phase 3
0.7386	Intermediate Similarity	NPD5808	Clinical (unspecified phase)
0.7372	Intermediate Similarity	NPD1281	Approved
0.7372	Intermediate Similarity	NPD1611	Approved
0.7368	Intermediate Similarity	NPD6671	Approved
0.7368	Intermediate Similarity	NPD709	Approved
0.7365	Intermediate Similarity	NPD6674	Discontinued
0.7361	Intermediate Similarity	NPD5735	Approved
0.7353	Intermediate Similarity	NPD2286	Discontinued
0.7351	Intermediate Similarity	NPD2533	Approved
0.7351	Intermediate Similarity	NPD2534	Approved
0.7351	Intermediate Similarity	NPD2532	Approved
0.7338	Intermediate Similarity	NPD8651	Approved
0.7338	Intermediate Similarity	NPD4380	Phase 2
0.7333	Intermediate Similarity	NPD3091	Approved
0.7329	Intermediate Similarity	NPD1509	Clinical (unspecified phase)
0.7329	Intermediate Similarity	NPD4108	Discontinued
0.7329	Intermediate Similarity	NPD3748	Approved
0.7315	Intermediate Similarity	NPD7466	Approved
0.7292	Intermediate Similarity	NPD2238	Phase 2
0.7292	Intermediate Similarity	NPD4140	Approved
0.7286	Intermediate Similarity	NPD3094	Phase 2
0.728	Intermediate Similarity	NPD3020	Approved
0.7278	Intermediate Similarity	NPD3749	Approved
0.7266	Intermediate Similarity	NPD6583	Phase 3
0.7266	Intermediate Similarity	NPD6582	Phase 2
0.725	Intermediate Similarity	NPD7199	Phase 2
0.7248	Intermediate Similarity	NPD7421	Clinical (unspecified phase)
0.7246	Intermediate Similarity	NPD3092	Approved
0.7239	Intermediate Similarity	NPD7228	Approved
0.723	Intermediate Similarity	NPD1550	Clinical (unspecified phase)
0.723	Intermediate Similarity	NPD1552	Clinical (unspecified phase)
0.7218	Intermediate Similarity	NPD1398	Phase 1
0.7218	Intermediate Similarity	NPD4869	Clinical (unspecified phase)
0.7215	Intermediate Similarity	NPD4868	Clinical (unspecified phase)
0.7197	Intermediate Similarity	NPD228	Approved
0.7194	Intermediate Similarity	NPD2230	Approved
0.7194	Intermediate Similarity	NPD2233	Approved
0.7194	Intermediate Similarity	NPD2232	Approved
0.7192	Intermediate Similarity	NPD4579	Clinical (unspecified phase)
0.7192	Intermediate Similarity	NPD6353	Approved
0.7188	Intermediate Similarity	NPD6746	Phase 2
0.7185	Intermediate Similarity	NPD7340	Approved
0.7181	Intermediate Similarity	NPD1549	Phase 2
0.7177	Intermediate Similarity	NPD2860	Approved
0.7177	Intermediate Similarity	NPD2859	Approved
0.7176	Intermediate Similarity	NPD3022	Approved
0.7176	Intermediate Similarity	NPD3021	Approved
0.7172	Intermediate Similarity	NPD2979	Phase 3
0.7163	Intermediate Similarity	NPD4339	Clinical (unspecified phase)
0.7161	Intermediate Similarity	NPD4005	Discontinued
0.716	Intermediate Similarity	NPD7184	Clinical (unspecified phase)
0.7143	Intermediate Similarity	NPD8053	Approved
0.7143	Intermediate Similarity	NPD8054	Approved
0.7143	Intermediate Similarity	NPD5535	Approved
0.7134	Intermediate Similarity	NPD1934	Approved
0.7124	Intermediate Similarity	NPD7446	Clinical (unspecified phase)
0.7117	Intermediate Similarity	NPD6168	Clinical (unspecified phase)
0.7117	Intermediate Similarity	NPD6166	Phase 2
0.7117	Intermediate Similarity	NPD6167	Clinical (unspecified phase)
0.7114	Intermediate Similarity	NPD5762	Approved
0.7114	Intermediate Similarity	NPD5763	Approved
0.7114	Intermediate Similarity	NPD3540	Phase 1
0.7101	Intermediate Similarity	NPD4059	Approved
0.7101	Intermediate Similarity	NPD3095	Discontinued
0.7101	Intermediate Similarity	NPD3019	Approved
0.7097	Intermediate Similarity	NPD2933	Approved
0.7097	Intermediate Similarity	NPD2934	Approved
0.7089	Intermediate Similarity	NPD2801	Approved
0.7089	Intermediate Similarity	NPD8455	Phase 2
0.7083	Intermediate Similarity	NPD7095	Approved
0.707	Intermediate Similarity	NPD7615	Clinical (unspecified phase)
0.7066	Intermediate Similarity	NPD6559	Discontinued
0.7063	Intermediate Similarity	NPD7075	Discontinued
0.7063	Intermediate Similarity	NPD4055	Discovery
0.7059	Intermediate Similarity	NPD1511	Approved
0.7051	Intermediate Similarity	NPD3226	Approved
0.7047	Intermediate Similarity	NPD2796	Approved
0.7047	Intermediate Similarity	NPD3539	Phase 1
0.7047	Intermediate Similarity	NPD2438	Suspended
0.7042	Intermediate Similarity	NPD2797	Approved
0.704	Intermediate Similarity	NPD844	Approved
0.7034	Intermediate Similarity	NPD6798	Discontinued
0.7034	Intermediate Similarity	NPD3764	Approved
0.703	Intermediate Similarity	NPD7177	Discontinued
0.7029	Intermediate Similarity	NPD4093	Discontinued
0.7027	Intermediate Similarity	NPD4536	Approved
0.7027	Intermediate Similarity	NPD4537	Clinical (unspecified phase)
0.7027	Intermediate Similarity	NPD4538	Approved
0.7021	Intermediate Similarity	NPD4379	Clinical (unspecified phase)
0.7013	Intermediate Similarity	NPD4160	Clinical (unspecified phase)
0.7013	Intermediate Similarity	NPD7422	Clinical (unspecified phase)
0.7	Intermediate Similarity	NPD2029	Clinical (unspecified phase)
0.7	Intermediate Similarity	NPD3705	Approved
0.7	Intermediate Similarity	NPD4581	Clinical (unspecified phase)
0.7	Intermediate Similarity	NPD1201	Approved
0.6994	Remote Similarity	NPD3787	Discontinued
0.6985	Remote Similarity	NPD7157	Approved
0.6985	Remote Similarity	NPD6387	Discontinued
0.6984	Remote Similarity	NPD288	Approved
0.6981	Remote Similarity	NPD5929	Approved
0.6981	Remote Similarity	NPD7096	Clinical (unspecified phase)
0.6981	Remote Similarity	NPD1465	Phase 2
0.6978	Remote Similarity	NPD2932	Approved
0.6978	Remote Similarity	NPD2668	Approved
0.6978	Remote Similarity	NPD6516	Phase 2
0.6978	Remote Similarity	NPD5846	Approved
0.6978	Remote Similarity	NPD2667	Approved
0.6972	Remote Similarity	NPD3225	Approved
0.697	Remote Similarity	NPD2684	Approved
0.6968	Remote Similarity	NPD5261	Clinical (unspecified phase)
0.6968	Remote Similarity	NPD1940	Clinical (unspecified phase)
0.6968	Remote Similarity	NPD4319	Phase 2

Structure

CID282508 OpenBabel06191716092D 26 29 0 0 0 0 0 0 0 0999 V2000 2.5981 -2.5000 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 3.4641 2.0000 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 1.7321 3.0000 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 -2.5981 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 0.0000 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 -1.7321 2.0000 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 2.5981 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 2.5981 3.5000 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 -0.8660 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 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 -1.0000 0.0000 C 0 0 0 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 2.5981 4.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4641 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 26 1 0 0 0 0 2 5 1 0 0 0 0 2 13 2 0 0 0 0 3 6 2 0 0 0 0 3 13 1 0 0 0 0 4 8 1 0 0 0 0 4 14 1 0 0 0 0 5 15 2 0 0 0 0 6 15 1 0 0 0 0 7 9 1 0 0 0 0 7 16 2 0 0 0 0 8 18 1 0 0 0 0 9 17 2 0 0 0 0 10 13 1 0 0 0 0 10 19 1 0 0 0 0 11 14 2 0 0 0 0 11 16 1 0 0 0 0 12 20 1 0 0 0 0 12 21 2 0 0 0 0 14 17 1 0 0 0 0 15 23 1 0 0 0 0 16 24 1 0 0 0 0 17 22 1 0 0 0 0 18 19 2 0 0 0 0 18 22 1 0 0 0 0 19 21 1 0 0 0 0 20 22 2 0 0 0 0 20 25 1 0 0 0 0 21 26 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	44392570
ChEMBL	CHEMBL365485
ZINC

Physicochemical Properties

Molecular Weight:	348.14
ALogP:	-0.8517
MLogP:	3.44
XLogP:	4.266
# Rotatable Bonds:	7
Polar Surface Area:	69.92
# H-Bond Aceptor:	0
# H-Bond Donor:	3
# Rings:	4
# Heavy Atoms:	26

Download Data

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