NPASS Natural Product

Natural Product: NPC109238

Natural Product ID:	NPC109238
Common Name:	Ocophyllals A
IUPAC Name:	2-(1,3-benzodioxol-5-yl)-7-methoxy-3-methyl-1-benzofuran-5-carbaldehyde
Synonyms:
Molecular Formula:	C18H14O5
Standard InCHIKey:	HCCYBFOBGKSPJH-UHFFFAOYSA-N
Standard InCHI:	InChI=1S/C18H14O5/c1-10-13-5-11(8-19)6-16(20-2)18(13)23-17(10)12-3-4-14-15(7-12)22-9-21-14/h3-8H,9H2,1-2H3
Canonical SMILES:	COc1cc(C=O)cc2c1oc(c2C)c1ccc2c(c1)OCO2
First Find Year:
Max Developmental Stage:
Synthetic Gene Cluster:	;

Species Source

Organism ID	Organism Name	Taxonomy Level	Family	SuperKingdom	Isolation Part	Reference
NPO19526	Pleurothyrium cinereum	Species	Lauraceae	Eukaryota	Leaves	PMID[19880317]
NPO26326	Ocotea macrophylla	Species	Lauraceae	Eukaryota	Leaves	PMID[19880317]
NPO27964	Nectandra amazonum	Species	Lauraceae	Eukaryota	Leaves	PMID[19880317]

Biological Activity

Activity Type	# Activity
IC50	6
Others	1

Activity Type	# Activity
Individual Protein	2
Others	5

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT2	Others	Unspecified		IC50	=	102000	nM	17958396
NPT2	Others	Unspecified		IC50	=	568000	nM	12852746
NPT2	Others	Unspecified		Ratio IC50	=	436		20014752
NPT325	Individual Protein	Cyclooxygenase-2	Ovis aries	IC50	=	16800	nM	25871261
NPT324	Individual Protein	Cyclooxygenase-1	Ovis aries	IC50	=	123000	nM	23755850
NPT2	Others	Unspecified		IC50	=	7310	nM	19943620
NPT2	Others	Unspecified		IC50	>	999000	nM	12773055

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 NPC109238 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	376
0.1-0.2	1404
0.2-0.3	2723
0.3-0.4	6993
0.4-0.5	6235
0.5-0.6	2943
0.6-0.7	5816
0.7-0.8	4203
0.8-0.85	164
0.85-0.9	15
0.9-0.95	16
0.95-1	1

Similarity Score	Similarity Level	Natural Product ID
0.9542	High Similarity	NPC3273
0.9484	High Similarity	NPC15764
0.9423	High Similarity	NPC139876
0.9363	High Similarity	NPC99968
0.9363	High Similarity	NPC309335
0.9363	High Similarity	NPC296540
0.9321	High Similarity	NPC62640
0.9304	High Similarity	NPC19948
0.9231	High Similarity	NPC261484
0.9172	High Similarity	NPC76458
0.9172	High Similarity	NPC82733
0.9136	High Similarity	NPC41853
0.9114	High Similarity	NPC250076
0.9108	High Similarity	NPC261090
0.9074	High Similarity	NPC167479
0.903	High Similarity	NPC66804
0.9024	High Similarity	NPC157522
0.8963	High Similarity	NPC135370
0.8951	High Similarity	NPC187923
0.8917	High Similarity	NPC60211
0.8882	High Similarity	NPC27220
0.8743	High Similarity	NPC72455
0.8704	High Similarity	NPC65784
0.8688	High Similarity	NPC268008
0.8683	High Similarity	NPC475964
0.865	High Similarity	NPC264293
0.8642	High Similarity	NPC228501
0.8614	High Similarity	NPC186392
0.858	High Similarity	NPC290304
0.858	High Similarity	NPC236327
0.8545	High Similarity	NPC65846
0.85	High Similarity	NPC118332
0.8476	Intermediate Similarity	NPC243509
0.8452	Intermediate Similarity	NPC211309
0.8443	Intermediate Similarity	NPC67450
0.8443	Intermediate Similarity	NPC210460
0.8443	Intermediate Similarity	NPC193881
0.8443	Intermediate Similarity	NPC155264
0.8434	Intermediate Similarity	NPC132054
0.8434	Intermediate Similarity	NPC179464
0.8424	Intermediate Similarity	NPC216092
0.8415	Intermediate Similarity	NPC33320
0.8405	Intermediate Similarity	NPC239113
0.8405	Intermediate Similarity	NPC115123
0.8402	Intermediate Similarity	NPC190351
0.8395	Intermediate Similarity	NPC54179
0.8395	Intermediate Similarity	NPC41719
0.8395	Intermediate Similarity	NPC279930
0.8383	Intermediate Similarity	NPC279768
0.8373	Intermediate Similarity	NPC302741
0.8373	Intermediate Similarity	NPC234536
0.8373	Intermediate Similarity	NPC78612
0.8364	Intermediate Similarity	NPC131557
0.8354	Intermediate Similarity	NPC202495
0.8354	Intermediate Similarity	NPC19600
0.8344	Intermediate Similarity	NPC80489
0.8344	Intermediate Similarity	NPC284353
0.8333	Intermediate Similarity	NPC298071
0.8333	Intermediate Similarity	NPC131121
0.8333	Intermediate Similarity	NPC130015
0.8333	Intermediate Similarity	NPC38361
0.8333	Intermediate Similarity	NPC308555
0.8323	Intermediate Similarity	NPC110257
0.8304	Intermediate Similarity	NPC277510
0.8302	Intermediate Similarity	NPC153620
0.8302	Intermediate Similarity	NPC24257
0.8293	Intermediate Similarity	NPC155063
0.8293	Intermediate Similarity	NPC109765
0.8284	Intermediate Similarity	NPC241820
0.8274	Intermediate Similarity	NPC179015
0.8274	Intermediate Similarity	NPC173149
0.8263	Intermediate Similarity	NPC193998
0.8258	Intermediate Similarity	NPC60848
0.8253	Intermediate Similarity	NPC78944
0.825	Intermediate Similarity	NPC198427
0.8242	Intermediate Similarity	NPC310206
0.8232	Intermediate Similarity	NPC254163
0.8232	Intermediate Similarity	NPC180901
0.8232	Intermediate Similarity	NPC300757
0.8232	Intermediate Similarity	NPC233776
0.8225	Intermediate Similarity	NPC191012
0.8225	Intermediate Similarity	NPC471923
0.8221	Intermediate Similarity	NPC68882
0.8218	Intermediate Similarity	NPC104682
0.821	Intermediate Similarity	NPC148423
0.821	Intermediate Similarity	NPC135303
0.821	Intermediate Similarity	NPC472406
0.8204	Intermediate Similarity	NPC15212
0.8204	Intermediate Similarity	NPC34376
0.8199	Intermediate Similarity	NPC127827
0.8193	Intermediate Similarity	NPC104459
0.8193	Intermediate Similarity	NPC257914
0.8193	Intermediate Similarity	NPC68619
0.8193	Intermediate Similarity	NPC238405
0.8193	Intermediate Similarity	NPC113055
0.8193	Intermediate Similarity	NPC125713
0.8187	Intermediate Similarity	NPC131866
0.8187	Intermediate Similarity	NPC144288
0.8176	Intermediate Similarity	NPC475453
0.8176	Intermediate Similarity	NPC473531
0.8176	Intermediate Similarity	NPC275278
0.8171	Intermediate Similarity	NPC475996
0.8171	Intermediate Similarity	NPC244371
0.8166	Intermediate Similarity	NPC38914
0.816	Intermediate Similarity	NPC104353
0.816	Intermediate Similarity	NPC220577
0.8155	Intermediate Similarity	NPC18284
0.8155	Intermediate Similarity	NPC273021
0.8155	Intermediate Similarity	NPC478199
0.8155	Intermediate Similarity	NPC272722
0.8155	Intermediate Similarity	NPC116838
0.8155	Intermediate Similarity	NPC22130
0.8148	Intermediate Similarity	NPC300983
0.8148	Intermediate Similarity	NPC475722
0.8144	Intermediate Similarity	NPC269906
0.8144	Intermediate Similarity	NPC472961
0.8144	Intermediate Similarity	NPC472962
0.8137	Intermediate Similarity	NPC117463
0.8133	Intermediate Similarity	NPC474990
0.8133	Intermediate Similarity	NPC258644
0.8125	Intermediate Similarity	NPC224687
0.8121	Intermediate Similarity	NPC478238
0.8118	Intermediate Similarity	NPC472895
0.811	Intermediate Similarity	NPC263676
0.811	Intermediate Similarity	NPC10429
0.811	Intermediate Similarity	NPC148497
0.811	Intermediate Similarity	NPC292460
0.811	Intermediate Similarity	NPC153008
0.8107	Intermediate Similarity	NPC109180
0.8107	Intermediate Similarity	NPC1755
0.8107	Intermediate Similarity	NPC263092
0.8107	Intermediate Similarity	NPC39305
0.8107	Intermediate Similarity	NPC1706
0.8107	Intermediate Similarity	NPC59295
0.8103	Intermediate Similarity	NPC107244
0.8103	Intermediate Similarity	NPC156635
0.8098	Intermediate Similarity	NPC474975
0.8095	Intermediate Similarity	NPC469889
0.8095	Intermediate Similarity	NPC304387
0.8092	Intermediate Similarity	NPC65885
0.8092	Intermediate Similarity	NPC474568
0.8092	Intermediate Similarity	NPC233956
0.8086	Intermediate Similarity	NPC306788
0.8086	Intermediate Similarity	NPC24193
0.8086	Intermediate Similarity	NPC472839
0.8084	Intermediate Similarity	NPC474043
0.8084	Intermediate Similarity	NPC325122
0.8081	Intermediate Similarity	NPC51404
0.8075	Intermediate Similarity	NPC190572
0.8075	Intermediate Similarity	NPC25496
0.807	Intermediate Similarity	NPC247973
0.8061	Intermediate Similarity	NPC478213
0.8059	Intermediate Similarity	NPC45449
0.8059	Intermediate Similarity	NPC36320
0.8057	Intermediate Similarity	NPC47191
0.805	Intermediate Similarity	NPC137920
0.805	Intermediate Similarity	NPC125134
0.805	Intermediate Similarity	NPC86455
0.805	Intermediate Similarity	NPC28326
0.8049	Intermediate Similarity	NPC472407
0.8047	Intermediate Similarity	NPC198796
0.8047	Intermediate Similarity	NPC125991
0.8047	Intermediate Similarity	NPC238995
0.8047	Intermediate Similarity	NPC61141
0.8046	Intermediate Similarity	NPC469601
0.8046	Intermediate Similarity	NPC53917
0.8046	Intermediate Similarity	NPC224165
0.8036	Intermediate Similarity	NPC474770
0.8035	Intermediate Similarity	NPC292712
0.8035	Intermediate Similarity	NPC474075
0.8035	Intermediate Similarity	NPC20114
0.8035	Intermediate Similarity	NPC471920
0.8035	Intermediate Similarity	NPC471921
0.8035	Intermediate Similarity	NPC129930
0.8035	Intermediate Similarity	NPC471922
0.8035	Intermediate Similarity	NPC114550
0.8035	Intermediate Similarity	NPC312006
0.8035	Intermediate Similarity	NPC473697
0.8025	Intermediate Similarity	NPC181464
0.8012	Intermediate Similarity	NPC234730
0.8012	Intermediate Similarity	NPC113093
0.8012	Intermediate Similarity	NPC87295
0.8012	Intermediate Similarity	NPC208584
0.8012	Intermediate Similarity	NPC296575
0.8011	Intermediate Similarity	NPC183843
0.8	Intermediate Similarity	NPC475865
0.8	Intermediate Similarity	NPC100425
0.8	Intermediate Similarity	NPC8127
0.8	Intermediate Similarity	NPC472582
0.8	Intermediate Similarity	NPC253872
0.8	Intermediate Similarity	NPC90083
0.8	Intermediate Similarity	NPC49667
0.8	Intermediate Similarity	NPC50954
0.8	Intermediate Similarity	NPC170779
0.8	Intermediate Similarity	NPC15743
0.8	Intermediate Similarity	NPC24258
0.7989	Intermediate Similarity	NPC316539
0.7989	Intermediate Similarity	NPC184624
0.7988	Intermediate Similarity	NPC94155
0.7988	Intermediate Similarity	NPC14499

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC109238 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	371
0.1-0.2	936
0.2-0.3	1607
0.3-0.4	2740
0.4-0.5	1988
0.5-0.6	1008
0.6-0.7	416
0.7-0.8	92
0.8-0.85	2
0.85-0.9	1
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.865	High Similarity	NPD1247	Approved
0.8415	Intermediate Similarity	NPD919	Approved
0.8	Intermediate Similarity	NPD3926	Phase 2
0.7929	Intermediate Similarity	NPD5494	Approved
0.7914	Intermediate Similarity	NPD6980	Clinical (unspecified phase)
0.7857	Intermediate Similarity	NPD3882	Suspended
0.784	Intermediate Similarity	NPD6143	Clinical (unspecified phase)
0.7805	Intermediate Similarity	NPD920	Approved
0.7799	Intermediate Similarity	NPD2343	Clinical (unspecified phase)
0.7784	Intermediate Similarity	NPD6559	Discontinued
0.7759	Intermediate Similarity	NPD3818	Discontinued
0.7702	Intermediate Similarity	NPD7421	Clinical (unspecified phase)
0.7692	Intermediate Similarity	NPD3817	Phase 2
0.7688	Intermediate Similarity	NPD1471	Phase 3
0.7688	Intermediate Similarity	NPD7184	Clinical (unspecified phase)
0.7683	Intermediate Similarity	NPD642	Clinical (unspecified phase)
0.7561	Intermediate Similarity	NPD643	Clinical (unspecified phase)
0.7514	Intermediate Similarity	NPD5844	Phase 1
0.7471	Intermediate Similarity	NPD1934	Approved
0.7471	Intermediate Similarity	NPD7199	Phase 2
0.7469	Intermediate Similarity	NPD2344	Approved
0.7458	Intermediate Similarity	NPD2163	Approved
0.7458	Intermediate Similarity	NPD7893	Clinical (unspecified phase)
0.7444	Intermediate Similarity	NPD4338	Clinical (unspecified phase)
0.7444	Intermediate Similarity	NPD7808	Phase 3
0.743	Intermediate Similarity	NPD6797	Phase 2
0.7427	Intermediate Similarity	NPD2393	Clinical (unspecified phase)
0.7427	Intermediate Similarity	NPD7096	Clinical (unspecified phase)
0.7418	Intermediate Similarity	NPD8055	Clinical (unspecified phase)
0.741	Intermediate Similarity	NPD6799	Approved
0.7389	Intermediate Similarity	NPD7251	Discontinued
0.7378	Intermediate Similarity	NPD1243	Approved
0.7374	Intermediate Similarity	NPD7074	Phase 3
0.7353	Intermediate Similarity	NPD6599	Discontinued
0.7345	Intermediate Similarity	NPD6166	Phase 2
0.7345	Intermediate Similarity	NPD6168	Clinical (unspecified phase)
0.7345	Intermediate Similarity	NPD6167	Clinical (unspecified phase)
0.7341	Intermediate Similarity	NPD4967	Phase 2
0.7341	Intermediate Similarity	NPD4965	Approved
0.7341	Intermediate Similarity	NPD4966	Approved
0.7341	Intermediate Similarity	NPD4868	Clinical (unspecified phase)
0.733	Intermediate Similarity	NPD6232	Discontinued
0.7326	Intermediate Similarity	NPD2801	Approved
0.7318	Intermediate Similarity	NPD7054	Approved
0.7318	Intermediate Similarity	NPD7804	Clinical (unspecified phase)
0.7303	Intermediate Similarity	NPD7473	Discontinued
0.7299	Intermediate Similarity	NPD7075	Discontinued
0.7297	Intermediate Similarity	NPD8397	Clinical (unspecified phase)
0.7294	Intermediate Similarity	NPD3226	Approved
0.7289	Intermediate Similarity	NPD2309	Approved
0.7283	Intermediate Similarity	NPD8434	Phase 2
0.7278	Intermediate Similarity	NPD7472	Approved
0.7267	Intermediate Similarity	NPD6801	Discontinued
0.7267	Intermediate Similarity	NPD1933	Approved
0.7262	Intermediate Similarity	NPD4378	Clinical (unspecified phase)
0.7257	Intermediate Similarity	NPD5537	Clinical (unspecified phase)
0.7257	Intermediate Similarity	NPD6234	Discontinued
0.7229	Intermediate Similarity	NPD4628	Phase 3
0.7225	Intermediate Similarity	NPD7819	Suspended
0.7219	Intermediate Similarity	NPD1512	Approved
0.7209	Intermediate Similarity	NPD6385	Approved
0.7209	Intermediate Similarity	NPD6386	Approved
0.7209	Intermediate Similarity	NPD7411	Suspended
0.72	Intermediate Similarity	NPD4381	Clinical (unspecified phase)
0.7195	Intermediate Similarity	NPD2796	Approved
0.7193	Intermediate Similarity	NPD7458	Discontinued
0.7168	Intermediate Similarity	NPD37	Approved
0.7167	Intermediate Similarity	NPD3751	Discontinued
0.7161	Intermediate Similarity	NPD3705	Approved
0.7143	Intermediate Similarity	NPD7993	Clinical (unspecified phase)
0.7135	Intermediate Similarity	NPD6808	Phase 2
0.7134	Intermediate Similarity	NPD2799	Discontinued
0.7126	Intermediate Similarity	NPD1465	Phase 2
0.7107	Intermediate Similarity	NPD9494	Approved
0.7104	Intermediate Similarity	NPD6765	Approved
0.7104	Intermediate Similarity	NPD6764	Approved
0.7102	Intermediate Similarity	NPD3749	Approved
0.7101	Intermediate Similarity	NPD1511	Approved
0.7086	Intermediate Similarity	NPD8443	Clinical (unspecified phase)
0.7083	Intermediate Similarity	NPD3887	Approved
0.7069	Intermediate Similarity	NPD6280	Approved
0.7069	Intermediate Similarity	NPD6279	Approved
0.7056	Intermediate Similarity	NPD7852	Clinical (unspecified phase)
0.7055	Intermediate Similarity	NPD6355	Discontinued
0.7048	Intermediate Similarity	NPD2355	Clinical (unspecified phase)
0.7048	Intermediate Similarity	NPD2346	Discontinued
0.7048	Intermediate Similarity	NPD2353	Approved
0.7047	Intermediate Similarity	NPD4107	Approved
0.7039	Intermediate Similarity	NPD3787	Discontinued
0.7037	Intermediate Similarity	NPD7879	Clinical (unspecified phase)
0.7032	Intermediate Similarity	NPD17	Approved
0.703	Intermediate Similarity	NPD3748	Approved
0.7029	Intermediate Similarity	NPD8455	Phase 2
0.7011	Intermediate Similarity	NPD7685	Pre-registration
0.7	Intermediate Similarity	NPD5242	Approved
0.6989	Remote Similarity	NPD5616	Clinical (unspecified phase)
0.6989	Remote Similarity	NPD5402	Approved
0.6981	Remote Similarity	NPD1049	Clinical (unspecified phase)
0.6978	Remote Similarity	NPD7228	Approved
0.6975	Remote Similarity	NPD2313	Discontinued
0.6975	Remote Similarity	NPD6798	Discontinued
0.6961	Remote Similarity	NPD4575	Clinical (unspecified phase)
0.6961	Remote Similarity	NPD2403	Approved
0.6959	Remote Similarity	NPD3146	Approved
0.6959	Remote Similarity	NPD3688	Clinical (unspecified phase)
0.6954	Remote Similarity	NPD7028	Phase 2
0.6954	Remote Similarity	NPD4380	Phase 2
0.6952	Remote Similarity	NPD6784	Approved
0.6952	Remote Similarity	NPD6785	Approved
0.6951	Remote Similarity	NPD447	Suspended
0.6948	Remote Similarity	NPD5536	Phase 2
0.6935	Remote Similarity	NPD8313	Approved
0.6935	Remote Similarity	NPD8312	Approved
0.6923	Remote Similarity	NPD4482	Phase 3
0.6905	Remote Similarity	NPD1549	Phase 2
0.6899	Remote Similarity	NPD1608	Approved
0.6899	Remote Similarity	NPD3972	Approved
0.689	Remote Similarity	NPD4060	Phase 1
0.6889	Remote Similarity	NPD6959	Discontinued
0.6886	Remote Similarity	NPD2935	Discontinued
0.6882	Remote Similarity	NPD2354	Approved
0.6875	Remote Similarity	NPD3266	Approved
0.6875	Remote Similarity	NPD3267	Approved
0.6864	Remote Similarity	NPD2800	Approved
0.686	Remote Similarity	NPD2533	Approved
0.686	Remote Similarity	NPD2534	Approved
0.686	Remote Similarity	NPD5401	Approved
0.686	Remote Similarity	NPD7410	Clinical (unspecified phase)
0.686	Remote Similarity	NPD2532	Approved
0.6856	Remote Similarity	NPD4420	Approved
0.6854	Remote Similarity	NPD7768	Phase 2
0.6851	Remote Similarity	NPD7229	Phase 3
0.6848	Remote Similarity	NPD1899	Clinical (unspecified phase)
0.6845	Remote Similarity	NPD1550	Clinical (unspecified phase)
0.6845	Remote Similarity	NPD1552	Clinical (unspecified phase)
0.6835	Remote Similarity	NPD1547	Clinical (unspecified phase)
0.6832	Remote Similarity	NPD2798	Approved
0.6828	Remote Similarity	NPD7240	Approved
0.6826	Remote Similarity	NPD1510	Phase 2
0.6824	Remote Similarity	NPD3750	Approved
0.6821	Remote Similarity	NPD5049	Phase 3
0.6813	Remote Similarity	NPD1876	Approved
0.6802	Remote Similarity	NPD3057	Approved
0.6798	Remote Similarity	NPD2296	Approved
0.6797	Remote Similarity	NPD1241	Discontinued
0.6796	Remote Similarity	NPD8127	Discontinued
0.6788	Remote Similarity	NPD2979	Phase 3
0.6788	Remote Similarity	NPD1240	Approved
0.6784	Remote Similarity	NPD6190	Approved
0.6782	Remote Similarity	NPD5403	Approved
0.6768	Remote Similarity	NPD6859	Clinical (unspecified phase)
0.6768	Remote Similarity	NPD3764	Approved
0.6763	Remote Similarity	NPD7004	Clinical (unspecified phase)
0.676	Remote Similarity	NPD4947	Clinical (unspecified phase)
0.6752	Remote Similarity	NPD1651	Approved
0.6748	Remote Similarity	NPD6832	Phase 2
0.6747	Remote Similarity	NPD230	Phase 1
0.6746	Remote Similarity	NPD5619	Clinical (unspecified phase)
0.6742	Remote Similarity	NPD5760	Phase 2
0.6742	Remote Similarity	NPD5761	Phase 2
0.673	Remote Similarity	NPD1281	Approved
0.6727	Remote Similarity	NPD6233	Phase 2
0.6725	Remote Similarity	NPD4109	Clinical (unspecified phase)
0.6725	Remote Similarity	NPD4110	Phase 3
0.6723	Remote Similarity	NPD6873	Phase 2
0.6717	Remote Similarity	NPD2972	Approved
0.6717	Remote Similarity	NPD5006	Approved
0.6717	Remote Similarity	NPD5005	Approved
0.6717	Remote Similarity	NPD3533	Approved
0.6707	Remote Similarity	NPD1607	Approved
0.6705	Remote Similarity	NPD5808	Clinical (unspecified phase)
0.6704	Remote Similarity	NPD5977	Approved
0.6704	Remote Similarity	NPD5353	Approved
0.6704	Remote Similarity	NPD5978	Approved
0.6703	Remote Similarity	NPD7177	Discontinued
0.6701	Remote Similarity	NPD6777	Approved
0.6701	Remote Similarity	NPD6781	Approved
0.6701	Remote Similarity	NPD6779	Approved
0.6701	Remote Similarity	NPD6780	Approved
0.6701	Remote Similarity	NPD6778	Approved
0.6701	Remote Similarity	NPD7501	Clinical (unspecified phase)
0.6701	Remote Similarity	NPD6782	Approved
0.6701	Remote Similarity	NPD6776	Approved
0.6688	Remote Similarity	NPD5283	Phase 1
0.6686	Remote Similarity	NPD1551	Phase 2
0.6686	Remote Similarity	NPD2438	Suspended
0.6683	Remote Similarity	NPD7435	Discontinued
0.6667	Remote Similarity	NPD2971	Approved
0.6667	Remote Similarity	NPD6674	Discontinued
0.6667	Remote Similarity	NPD2968	Approved
0.6667	Remote Similarity	NPD3268	Approved
0.6667	Remote Similarity	NPD7422	Clinical (unspecified phase)
0.665	Remote Similarity	NPD7871	Phase 2
0.665	Remote Similarity	NPD7870	Phase 2
0.6648	Remote Similarity	NPD1006	Clinical (unspecified phase)
0.6646	Remote Similarity	NPD4379	Clinical (unspecified phase)
0.6629	Remote Similarity	NPD6273	Approved
0.6628	Remote Similarity	NPD7003	Approved
0.6628	Remote Similarity	NPD1878	Clinical (unspecified phase)
0.6608	Remote Similarity	NPD2897	Discontinued

Structure

NPC109238 OpenBabel07101719142D 23 26 0 0 0 0 0 0 0 0999 V2000 -0.3090 2.5691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9511 -1.6910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0878 1.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0878 1.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8171 1.8090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6831 0.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0878 -0.0570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5491 1.8090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6705 -0.3934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.6180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6831 1.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5878 0.8090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9511 1.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5878 0.8090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0878 -0.0570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8171 -0.1910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5878 0.8090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9511 0.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5491 2.8090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8171 -1.1910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5659 0.6011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7569 -0.8002 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 10 1 0 0 0 0 2 20 1 0 0 0 0 3 4 2 0 0 0 0 3 12 1 0 0 0 0 4 14 1 0 0 0 0 5 11 2 0 0 0 0 5 13 1 0 0 0 0 6 11 1 0 0 0 0 6 16 2 0 0 0 0 7 12 2 0 0 0 0 7 15 1 0 0 0 0 8 11 1 0 0 0 0 8 19 2 0 0 0 0 9 21 1 0 0 0 0 9 22 1 0 0 0 0 10 13 1 0 0 0 0 10 17 2 0 0 0 0 12 17 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 21 1 0 0 0 0 15 22 1 0 0 0 0 16 18 1 0 0 0 0 16 20 1 0 0 0 0 17 23 1 0 0 0 0 18 23 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	44470605
ChEMBL	CHEMBL571616
ZINC

Physicochemical Properties

Molecular Weight:	310.08
ALogP:	-0.059
MLogP:	2.89
XLogP:	3.142
# Rotatable Bonds:	5
Polar Surface Area:	57.9
# H-Bond Aceptor:	1
# H-Bond Donor:	0
# Rings:	4
# Heavy Atoms:	23

Download Data

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