NPASS Natural Product

Natural Product: NPC212015

Natural Product ID:	NPC212015
Common Name:	4-[(1S)-1-Hydroxy-3-(4-Hydroxy-3-Methoxyphenyl)Propyl]Benzene-1,3-Diol
IUPAC Name:	4-[(1S)-1-hydroxy-3-(4-hydroxy-3-methoxyphenyl)propyl]benzene-1,3-diol
Synonyms:
Molecular Formula:	C16H18O5
Standard InCHIKey:	LJNAUACHFOSZRS-ZDUSSCGKSA-N
Standard InCHI:	InChI=1S/C16H18O5/c1-21-16-8-10(3-7-14(16)19)2-6-13(18)12-5-4-11(17)9-15(12)20/h3-5,7-9,13,17-20H,2,6H2,1H3/t13-/m0/s1
Canonical SMILES:	COc1cc(CC[C@@H](c2ccc(cc2O)O)O)ccc1O
First Find Year:
Max Developmental Stage:
Synthetic Gene Cluster:	;

Species Source

Organism ID	Organism Name	Taxonomy Level	Family	SuperKingdom	Reference
NPO1382	Hyptis tomentosa	Species	Lamiaceae	Eukaryota	UNPD*
NPO5334	Rhodotypos scandens	Species	Rosaceae	Eukaryota	UNPD*
NPO5746	Pancratium trianthum	Species	Amaryllidaceae	Eukaryota	UNPD*
NPO6113	Piper pedicellosum	Species	Piperaceae	Eukaryota	UNPD*
NPO7237	Xanthostemon oppositifolius	Species	Myrtaceae	Eukaryota	UNPD*
NPO28409	Lens phaseoloides	Species	Fabaceae	Eukaryota	UNPD*
NPO17811	Cephalonoplos segetum	Species	Asteraceae	Eukaryota	UNPD*
NPO8303	Catalpa bignonioides	Species	Bignoniaceae	Eukaryota	UNPD*
NPO7393	Esenbeckia nesiotica	Species	Rutaceae	Eukaryota	UNPD*
NPO4539	Ipomoea cristulata	Species	Convolvulaceae	Eukaryota	UNPD*
NPO5162	Comaster multifida	Species	Comatulidae	Eukaryota	UNPD*
NPO19928	Lachnoanaerobaculum saburreum	Species	Lachnospiraceae	Bacteria	UNPD*
NPO2665	Andinobates fulguritus	Species	Dendrobatidae	Eukaryota	UNPD*
NPO490	Lophozonia menziesii	Species	Nothofagaceae	Eukaryota	UNPD*
NPO5241	Myristica fragrans	Species	Myristicaceae	Eukaryota	UNPD*
NPO8532	Helipterum tenellum	Species	Asteraceae	Eukaryota	UNPD*

Biological Activity

Activity Type	# Activity
IC50	1

Activity Type	# Activity
Cell Line	1

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT113	Cell Line	RAW264.7	Mus musculus	IC50	>	50000	nM	21978676

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 NPC212015 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	262
0.1-0.2	1089
0.2-0.3	2572
0.3-0.4	7388
0.4-0.5	6008
0.5-0.6	2476
0.6-0.7	4369
0.7-0.8	5005
0.8-0.85	949
0.85-0.9	474
0.9-0.95	245
0.95-1	52

Similarity Score	Similarity Level	Natural Product ID
0.9756	High Similarity	NPC470213
0.9756	High Similarity	NPC186843
0.9756	High Similarity	NPC98631
0.9756	High Similarity	NPC206615
0.9683	High Similarity	NPC475840
0.9677	High Similarity	NPC476968
0.9677	High Similarity	NPC170844
0.9675	High Similarity	NPC169474
0.9675	High Similarity	NPC159968
0.9675	High Similarity	NPC236791
0.9675	High Similarity	NPC246620
0.9675	High Similarity	NPC282000
0.9675	High Similarity	NPC293054
0.9675	High Similarity	NPC124452
0.9675	High Similarity	NPC324112
0.9675	High Similarity	NPC74817
0.9675	High Similarity	NPC82679
0.9593	High Similarity	NPC44748
0.9593	High Similarity	NPC78974
0.9593	High Similarity	NPC223136
0.9593	High Similarity	NPC214406
0.9593	High Similarity	NPC28730
0.9593	High Similarity	NPC103823
0.9593	High Similarity	NPC18924
0.9531	High Similarity	NPC256262
0.9524	High Similarity	NPC474017
0.952	High Similarity	NPC469951
0.952	High Similarity	NPC469963
0.9516	High Similarity	NPC242032
0.9516	High Similarity	NPC252131
0.9512	High Similarity	NPC475169
0.9512	High Similarity	NPC265483
0.9512	High Similarity	NPC193544
0.9512	High Similarity	NPC17943
0.9512	High Similarity	NPC203133
0.9512	High Similarity	NPC105925
0.9512	High Similarity	NPC60885
0.9512	High Similarity	NPC299584
0.9512	High Similarity	NPC221077
0.9512	High Similarity	NPC233410
0.9512	High Similarity	NPC251855
0.9512	High Similarity	NPC208950
0.9512	High Similarity	NPC116907
0.9512	High Similarity	NPC82483
0.9512	High Similarity	NPC472093
0.9512	High Similarity	NPC57490
0.9512	High Similarity	NPC234400
0.9512	High Similarity	NPC117214
0.9512	High Similarity	NPC298757
0.9508	High Similarity	NPC197757
0.9508	High Similarity	NPC228922
0.9508	High Similarity	NPC121115
0.9457	High Similarity	NPC306441
0.9457	High Similarity	NPC16435
0.9457	High Similarity	NPC472336
0.9457	High Similarity	NPC472334
0.9449	High Similarity	NPC201587
0.9449	High Similarity	NPC253105
0.9444	High Similarity	NPC234488
0.9444	High Similarity	NPC311680
0.9444	High Similarity	NPC472338
0.9444	High Similarity	NPC299221
0.9444	High Similarity	NPC51840
0.9444	High Similarity	NPC126836
0.944	High Similarity	NPC154866
0.944	High Similarity	NPC28765
0.9426	High Similarity	NPC41562
0.938	High Similarity	NPC94750
0.938	High Similarity	NPC472337
0.938	High Similarity	NPC234333
0.938	High Similarity	NPC47398
0.938	High Similarity	NPC121812
0.938	High Similarity	NPC112939
0.938	High Similarity	NPC260898
0.938	High Similarity	NPC474206
0.938	High Similarity	NPC112246
0.938	High Similarity	NPC61946
0.938	High Similarity	NPC470356
0.937	High Similarity	NPC470096
0.937	High Similarity	NPC232275
0.937	High Similarity	NPC472597
0.937	High Similarity	NPC470095
0.9365	High Similarity	NPC58164
0.9365	High Similarity	NPC10225
0.936	High Similarity	NPC236760
0.936	High Similarity	NPC127587
0.936	High Similarity	NPC266555
0.935	High Similarity	NPC282496
0.935	High Similarity	NPC471693
0.935	High Similarity	NPC136319
0.935	High Similarity	NPC233526
0.935	High Similarity	NPC95168
0.9344	High Similarity	NPC343720
0.9344	High Similarity	NPC113865
0.9344	High Similarity	NPC54872
0.9344	High Similarity	NPC184651
0.9344	High Similarity	NPC473853
0.9344	High Similarity	NPC312675
0.9344	High Similarity	NPC324571
0.9344	High Similarity	NPC470212
0.9344	High Similarity	NPC262156
0.9308	High Similarity	NPC227503
0.9308	High Similarity	NPC474639
0.9308	High Similarity	NPC230734
0.9308	High Similarity	NPC302701
0.9308	High Similarity	NPC269091
0.9302	High Similarity	NPC317380
0.9302	High Similarity	NPC287745
0.9297	High Similarity	NPC35932
0.9297	High Similarity	NPC470752
0.9297	High Similarity	NPC6451
0.9297	High Similarity	NPC160991
0.9297	High Similarity	NPC7903
0.9297	High Similarity	NPC16208
0.9297	High Similarity	NPC184447
0.9286	High Similarity	NPC266691
0.928	High Similarity	NPC76451
0.928	High Similarity	NPC223953
0.9268	High Similarity	NPC71579
0.9268	High Similarity	NPC262253
0.9268	High Similarity	NPC473411
0.9262	High Similarity	NPC207613
0.9237	High Similarity	NPC3072
0.9237	High Similarity	NPC156948
0.9237	High Similarity	NPC107551
0.9237	High Similarity	NPC102904
0.9237	High Similarity	NPC176051
0.9237	High Similarity	NPC474282
0.9237	High Similarity	NPC46277
0.9237	High Similarity	NPC86605
0.9237	High Similarity	NPC326797
0.9237	High Similarity	NPC301765
0.9237	High Similarity	NPC103976
0.9237	High Similarity	NPC211549
0.9231	High Similarity	NPC164787
0.9231	High Similarity	NPC151224
0.9225	High Similarity	NPC263064
0.9225	High Similarity	NPC32778
0.9225	High Similarity	NPC168059
0.9225	High Similarity	NPC11060
0.9225	High Similarity	NPC112237
0.9225	High Similarity	NPC229442
0.9225	High Similarity	NPC158331
0.9219	High Similarity	NPC474356
0.9219	High Similarity	NPC45715
0.9219	High Similarity	NPC309787
0.9219	High Similarity	NPC12275
0.9213	High Similarity	NPC158477
0.9213	High Similarity	NPC210623
0.9213	High Similarity	NPC222004
0.9213	High Similarity	NPC273295
0.9213	High Similarity	NPC226788
0.9213	High Similarity	NPC285339
0.9213	High Similarity	NPC3439
0.9213	High Similarity	NPC190629
0.9213	High Similarity	NPC202582
0.9213	High Similarity	NPC218856
0.9213	High Similarity	NPC470258
0.9206	High Similarity	NPC165045
0.9206	High Similarity	NPC210355
0.9206	High Similarity	NPC474119
0.9206	High Similarity	NPC118533
0.92	High Similarity	NPC148627
0.9194	High Similarity	NPC165375
0.9194	High Similarity	NPC220598
0.9187	High Similarity	NPC49341
0.9187	High Similarity	NPC75713
0.918	High Similarity	NPC61516
0.918	High Similarity	NPC10932
0.918	High Similarity	NPC232084
0.918	High Similarity	NPC247364
0.918	High Similarity	NPC474565
0.9173	High Similarity	NPC471389
0.9173	High Similarity	NPC87725
0.9173	High Similarity	NPC263261
0.9167	High Similarity	NPC184613
0.916	High Similarity	NPC270456
0.916	High Similarity	NPC248727
0.916	High Similarity	NPC162659
0.916	High Similarity	NPC133025
0.916	High Similarity	NPC470802
0.916	High Similarity	NPC265433
0.9154	High Similarity	NPC478085
0.9154	High Similarity	NPC326095
0.9154	High Similarity	NPC244983
0.9154	High Similarity	NPC310854
0.9154	High Similarity	NPC170694
0.9147	High Similarity	NPC175067
0.9147	High Similarity	NPC61477
0.9147	High Similarity	NPC86655
0.9147	High Similarity	NPC15658
0.9147	High Similarity	NPC204215
0.9147	High Similarity	NPC78770
0.9147	High Similarity	NPC185604
0.9147	High Similarity	NPC202762
0.9147	High Similarity	NPC127624
0.9147	High Similarity	NPC261619
0.9147	High Similarity	NPC126029
0.9147	High Similarity	NPC219876
0.9141	High Similarity	NPC224157

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC212015 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	257
0.1-0.2	862
0.2-0.3	1607
0.3-0.4	2666
0.4-0.5	1810
0.5-0.6	997
0.6-0.7	731
0.7-0.8	212
0.8-0.85	14
0.85-0.9	2
0.9-0.95	2
0.95-1	1

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.9677	High Similarity	NPD3027	Phase 3
0.9147	High Similarity	NPD1613	Approved
0.9147	High Similarity	NPD1612	Clinical (unspecified phase)
0.8837	High Similarity	NPD1529	Clinical (unspecified phase)
0.876	High Similarity	NPD1530	Clinical (unspecified phase)
0.8473	Intermediate Similarity	NPD3018	Phase 2
0.8443	Intermediate Similarity	NPD228	Approved
0.8308	Intermediate Similarity	NPD2982	Phase 2
0.8308	Intermediate Similarity	NPD2983	Phase 2
0.8306	Intermediate Similarity	NPD5283	Phase 1
0.8271	Intermediate Similarity	NPD4908	Phase 1
0.8231	Intermediate Similarity	NPD2981	Phase 2
0.8168	Intermediate Similarity	NPD4379	Clinical (unspecified phase)
0.8163	Intermediate Similarity	NPD1934	Approved
0.8154	Intermediate Similarity	NPD1610	Phase 2
0.8148	Intermediate Similarity	NPD4907	Clinical (unspecified phase)
0.8125	Intermediate Similarity	NPD1548	Phase 1
0.8029	Intermediate Similarity	NPD3619	Clinical (unspecified phase)
0.8029	Intermediate Similarity	NPD3620	Phase 2
0.7987	Intermediate Similarity	NPD2393	Clinical (unspecified phase)
0.7984	Intermediate Similarity	NPD3021	Approved
0.7984	Intermediate Similarity	NPD3022	Approved
0.7891	Intermediate Similarity	NPD1653	Approved
0.7881	Intermediate Similarity	NPD3882	Suspended
0.7871	Intermediate Similarity	NPD6167	Clinical (unspecified phase)
0.7871	Intermediate Similarity	NPD6166	Phase 2
0.7871	Intermediate Similarity	NPD6168	Clinical (unspecified phase)
0.7867	Intermediate Similarity	NPD2801	Approved
0.7852	Intermediate Similarity	NPD6917	Clinical (unspecified phase)
0.7832	Intermediate Similarity	NPD3060	Approved
0.7817	Intermediate Similarity	NPD3540	Phase 1
0.781	Intermediate Similarity	NPD4625	Phase 3
0.78	Intermediate Similarity	NPD37	Approved
0.7794	Intermediate Similarity	NPD2861	Phase 2
0.7786	Intermediate Similarity	NPD1357	Approved
0.7778	Intermediate Similarity	NPD6234	Discontinued
0.777	Intermediate Similarity	NPD4060	Phase 1
0.7763	Intermediate Similarity	NPD4868	Clinical (unspecified phase)
0.7761	Intermediate Similarity	NPD4749	Approved
0.7761	Intermediate Similarity	NPD3600	Clinical (unspecified phase)
0.776	Intermediate Similarity	NPD2684	Approved
0.7754	Intermediate Similarity	NPD6410	Clinical (unspecified phase)
0.7746	Intermediate Similarity	NPD3539	Phase 1
0.7712	Intermediate Similarity	NPD7975	Clinical (unspecified phase)
0.7708	Intermediate Similarity	NPD5177	Phase 3
0.7705	Intermediate Similarity	NPD846	Approved
0.7705	Intermediate Similarity	NPD940	Approved
0.768	Intermediate Similarity	NPD290	Approved
0.7673	Intermediate Similarity	NPD7074	Phase 3
0.7658	Intermediate Similarity	NPD3818	Discontinued
0.7656	Intermediate Similarity	NPD7843	Approved
0.7647	Intermediate Similarity	NPD4966	Approved
0.7647	Intermediate Similarity	NPD4965	Approved
0.7647	Intermediate Similarity	NPD4967	Phase 2
0.7643	Intermediate Similarity	NPD1558	Phase 1
0.7634	Intermediate Similarity	NPD5536	Phase 2
0.7626	Intermediate Similarity	NPD6859	Clinical (unspecified phase)
0.7623	Intermediate Similarity	NPD1242	Phase 1
0.7619	Intermediate Similarity	NPD1511	Approved
0.7615	Intermediate Similarity	NPD7157	Approved
0.7612	Intermediate Similarity	NPD1091	Approved
0.761	Intermediate Similarity	NPD7054	Approved
0.7603	Intermediate Similarity	NPD5307	Clinical (unspecified phase)
0.76	Intermediate Similarity	NPD4005	Discontinued
0.7586	Intermediate Similarity	NPD5698	Clinical (unspecified phase)
0.7569	Intermediate Similarity	NPD7266	Discontinued
0.7564	Intermediate Similarity	NPD7199	Phase 2
0.7562	Intermediate Similarity	NPD7472	Approved
0.7559	Intermediate Similarity	NPD4750	Phase 3
0.755	Intermediate Similarity	NPD4380	Phase 2
0.7547	Intermediate Similarity	NPD7228	Approved
0.7518	Intermediate Similarity	NPD2238	Phase 2
0.7517	Intermediate Similarity	NPD1512	Approved
0.75	Intermediate Similarity	NPD4357	Discontinued
0.7483	Intermediate Similarity	NPD4536	Approved
0.7483	Intermediate Similarity	NPD4537	Clinical (unspecified phase)
0.7483	Intermediate Similarity	NPD4538	Approved
0.7481	Intermediate Similarity	NPD6671	Approved
0.7481	Intermediate Similarity	NPD422	Phase 1
0.7481	Intermediate Similarity	NPD3705	Approved
0.7468	Intermediate Similarity	NPD3817	Phase 2
0.7466	Intermediate Similarity	NPD4237	Approved
0.7466	Intermediate Similarity	NPD6674	Discontinued
0.7466	Intermediate Similarity	NPD4236	Phase 3
0.7448	Intermediate Similarity	NPD2029	Clinical (unspecified phase)
0.7447	Intermediate Similarity	NPD2674	Phase 3
0.7445	Intermediate Similarity	NPD8651	Approved
0.7434	Intermediate Similarity	NPD4675	Approved
0.7434	Intermediate Similarity	NPD4678	Approved
0.7432	Intermediate Similarity	NPD7124	Phase 2
0.7431	Intermediate Similarity	NPD1510	Phase 2
0.7407	Intermediate Similarity	NPD6797	Phase 2
0.7405	Intermediate Similarity	NPD6232	Discontinued
0.7403	Intermediate Similarity	NPD2977	Approved
0.7403	Intermediate Similarity	NPD2978	Approved
0.7394	Intermediate Similarity	NPD943	Approved
0.7394	Intermediate Similarity	NPD1240	Approved
0.7391	Intermediate Similarity	NPD5844	Phase 1
0.7383	Intermediate Similarity	NPD7212	Phase 2
0.7383	Intermediate Similarity	NPD7213	Phase 3
0.7376	Intermediate Similarity	NPD6798	Discontinued
0.7362	Intermediate Similarity	NPD7251	Discontinued
0.7358	Intermediate Similarity	NPD7184	Clinical (unspecified phase)
0.7355	Intermediate Similarity	NPD6374	Clinical (unspecified phase)
0.7347	Intermediate Similarity	NPD4162	Approved
0.7347	Intermediate Similarity	NPD1652	Phase 2
0.7343	Intermediate Similarity	NPD5123	Clinical (unspecified phase)
0.7343	Intermediate Similarity	NPD6355	Discontinued
0.7343	Intermediate Similarity	NPD5124	Phase 1
0.7338	Intermediate Similarity	NPD6584	Phase 3
0.7333	Intermediate Similarity	NPD7447	Phase 1
0.7333	Intermediate Similarity	NPD6516	Phase 2
0.7333	Intermediate Similarity	NPD5846	Approved
0.7329	Intermediate Similarity	NPD5763	Approved
0.7329	Intermediate Similarity	NPD5762	Approved
0.7329	Intermediate Similarity	NPD1550	Clinical (unspecified phase)
0.7329	Intermediate Similarity	NPD1552	Clinical (unspecified phase)
0.7319	Intermediate Similarity	NPD2922	Phase 1
0.7317	Intermediate Similarity	NPD4338	Clinical (unspecified phase)
0.7317	Intermediate Similarity	NPD7808	Phase 3
0.731	Intermediate Similarity	NPD5960	Phase 3
0.731	Intermediate Similarity	NPD5588	Approved
0.7301	Intermediate Similarity	NPD7993	Clinical (unspecified phase)
0.7297	Intermediate Similarity	NPD3892	Phase 2
0.7295	Intermediate Similarity	NPD2859	Approved
0.7295	Intermediate Similarity	NPD2860	Approved
0.7292	Intermediate Similarity	NPD1607	Approved
0.7286	Intermediate Similarity	NPD9494	Approved
0.728	Intermediate Similarity	NPD291	Approved
0.7279	Intermediate Similarity	NPD1549	Phase 2
0.7267	Intermediate Similarity	NPD6143	Clinical (unspecified phase)
0.7267	Intermediate Similarity	NPD7473	Discontinued
0.7261	Intermediate Similarity	NPD4381	Clinical (unspecified phase)
0.7261	Intermediate Similarity	NPD7075	Discontinued
0.7261	Intermediate Similarity	NPD4055	Discovery
0.726	Intermediate Similarity	NPD2935	Discontinued
0.7258	Intermediate Similarity	NPD3020	Approved
0.7255	Intermediate Similarity	NPD6055	Clinical (unspecified phase)
0.7254	Intermediate Similarity	NPD5109	Approved
0.7254	Intermediate Similarity	NPD3144	Approved
0.7254	Intermediate Similarity	NPD5111	Phase 2
0.7254	Intermediate Similarity	NPD3145	Approved
0.7254	Intermediate Similarity	NPD5110	Phase 2
0.7248	Intermediate Similarity	NPD2677	Approved
0.7248	Intermediate Similarity	NPD6190	Approved
0.7248	Intermediate Similarity	NPD5241	Discontinued
0.7248	Intermediate Similarity	NPD2219	Phase 1
0.7241	Intermediate Similarity	NPD6111	Discontinued
0.7237	Intermediate Similarity	NPD6980	Clinical (unspecified phase)
0.7234	Intermediate Similarity	NPD5752	Clinical (unspecified phase)
0.7222	Intermediate Similarity	NPD5735	Approved
0.7222	Intermediate Similarity	NPD230	Phase 1
0.7219	Intermediate Similarity	NPD4378	Clinical (unspecified phase)
0.7213	Intermediate Similarity	NPD9296	Approved
0.7213	Intermediate Similarity	NPD2933	Approved
0.7213	Intermediate Similarity	NPD2934	Approved
0.7206	Intermediate Similarity	NPD4626	Approved
0.7192	Intermediate Similarity	NPD6029	Clinical (unspecified phase)
0.7192	Intermediate Similarity	NPD6028	Clinical (unspecified phase)
0.7188	Intermediate Similarity	NPD968	Approved
0.7183	Intermediate Similarity	NPD7095	Approved
0.7181	Intermediate Similarity	NPD4628	Phase 3
0.7181	Intermediate Similarity	NPD4110	Phase 3
0.7181	Intermediate Similarity	NPD4109	Clinical (unspecified phase)
0.7181	Intermediate Similarity	NPD6331	Phase 2
0.7179	Intermediate Similarity	NPD1465	Phase 2
0.7179	Intermediate Similarity	NPD7096	Clinical (unspecified phase)
0.7171	Intermediate Similarity	NPD1940	Clinical (unspecified phase)
0.717	Intermediate Similarity	NPD5494	Approved
0.7162	Intermediate Similarity	NPD2424	Discontinued
0.7154	Intermediate Similarity	NPD5451	Approved
0.7153	Intermediate Similarity	NPD3061	Approved
0.7153	Intermediate Similarity	NPD3059	Approved
0.7153	Intermediate Similarity	NPD3062	Approved
0.7152	Intermediate Similarity	NPD6799	Approved
0.7143	Intermediate Similarity	NPD6100	Approved
0.7143	Intermediate Similarity	NPD3094	Phase 2
0.7143	Intermediate Similarity	NPD2796	Approved
0.7143	Intermediate Similarity	NPD6099	Approved
0.7134	Intermediate Similarity	NPD2560	Approved
0.7134	Intermediate Similarity	NPD2563	Approved
0.7126	Intermediate Similarity	NPD8053	Approved
0.7126	Intermediate Similarity	NPD8054	Approved
0.7122	Intermediate Similarity	NPD6583	Phase 3
0.7122	Intermediate Similarity	NPD6582	Phase 2
0.7115	Intermediate Similarity	NPD6801	Discontinued
0.7105	Intermediate Similarity	NPD4123	Phase 3
0.7103	Intermediate Similarity	NPD3657	Discovery
0.7101	Intermediate Similarity	NPD3092	Approved
0.7099	Intermediate Similarity	NPD27	Approved
0.7099	Intermediate Similarity	NPD2489	Approved
0.7086	Intermediate Similarity	NPD5058	Phase 3
0.7083	Intermediate Similarity	NPD6233	Phase 2
0.7083	Intermediate Similarity	NPD1726	Clinical (unspecified phase)
0.708	Intermediate Similarity	NPD9384	Approved
0.708	Intermediate Similarity	NPD9381	Approved
0.7075	Intermediate Similarity	NPD7033	Discontinued
0.707	Intermediate Similarity	NPD6818	Clinical (unspecified phase)
0.7067	Intermediate Similarity	NPD3750	Approved
0.7059	Intermediate Similarity	NPD5261	Clinical (unspecified phase)

Structure

CID212015 OpenBabel06191716002D 21 22 0 0 1 0 0 0 0 0999 V2000 -0.8660 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 1.7321 -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 5.1962 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 -0.0000 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 0.8660 0.5000 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 1.7321 -0.0000 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 5.1962 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 0.5000 0.0000 C 0 0 1 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 6.0622 0.5000 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 7.7942 -1.5000 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 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0622 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 2 6 1 0 0 0 0 2 10 1 0 0 0 0 3 7 2 0 0 0 0 3 10 1 0 0 0 0 4 5 2 0 0 0 0 4 11 1 0 0 0 0 5 12 1 0 0 0 0 6 13 1 0 0 0 0 7 14 1 0 0 0 0 8 10 2 0 0 0 0 8 16 1 0 0 0 0 9 11 2 0 0 0 0 9 15 1 0 0 0 0 11 17 1 0 0 0 0 12 13 1 0 0 0 0 12 15 2 0 0 0 0 13 18 1 6 0 0 0 14 16 2 0 0 0 0 14 19 1 0 0 0 0 15 20 1 0 0 0 0 16 21 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	57392813
ChEMBL	CHEMBL1909924
ZINC

Physicochemical Properties

Molecular Weight:	290.12
ALogP:	-2.169
MLogP:	2.67
XLogP:	1.9
# Rotatable Bonds:	10
Polar Surface Area:	90.15
# H-Bond Aceptor:	1
# H-Bond Donor:	4
# Rings:	2
# Heavy Atoms:	21

Download Data

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