NPASS Natural Product

Natural Product: NPC243701

Natural Product ID:	NPC243701
Common Name:	Lateropyrone
IUPAC Name:	methyl 5,9-dihydroxy-2-methyl-4,6-dioxopyrano[3,4-g]chromene-8-carboxylate
Synonyms:
Molecular Formula:	C15H10O8
Standard InCHIKey:	JSQAILNRMPHAGO-UHFFFAOYSA-N
Standard InCHI:	InChI=1S/C15H10O8/c1-5-3-7(16)10-8(22-5)4-6-9(12(10)18)14(19)23-13(11(6)17)15(20)21-2/h3-4,17-18H,1-2H3
Canonical SMILES:	COC(=O)c1oc(=O)c2c(c1O)cc1c(c2O)c(=O)cc(o1)C
First Find Year:
Max Developmental Stage:
Synthetic Gene Cluster:	;

Species Source

Organism ID	Organism Name	Taxonomy Level	Family	SuperKingdom	Reference
NPO25042	Fusarium tricinctum	Species	Nectriaceae	Eukaryota	PMID[24175613]
NPO5089	Abies forrestii	Species	Pinaceae	Eukaryota	UNPD*
NPO6636	Ophiorrhiza filistipula	Species	Rubiaceae	Eukaryota	UNPD*
NPO695	Picea sitchensis	Species	Pinaceae	Eukaryota	UNPD*
NPO12143	Corydalis solida	Species	Papaveraceae	Eukaryota	UNPD*
NPO2531	Daniellia oliveri	Species	Fabaceae	Eukaryota	UNPD*
NPO6814	Pegaeophyton scapiflorum	Species	Brassicaceae	Eukaryota	UNPD*
NPO6984	Brickellia veronicaefolia	Species	Asteraceae	Eukaryota	UNPD*
NPO1845	Physocarpus opulifolius	Species	Rosaceae	Eukaryota	UNPD*
NPO4093	Astragalus stipulosus	Species	Fabaceae	Eukaryota	UNPD*
NPO8183	Asplenium viviparum	Species	Aspleniaceae	Eukaryota	UNPD*
NPO3712	Pedicularis olgae	Species	Orobanchaceae	Eukaryota	UNPD*
NPO254	Coreopsis capillacea	Species	Asteraceae	Eukaryota	UNPD*

Biological Activity

Activity Type	# Activity
MIC	7

Activity Type	# Activity
Organism	7

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT18	Organism	Pseudomonas aeruginosa	Pseudomonas aeruginosa	MIC	>	64	ug/ml	24175613
NPT19	Organism	Escherichia coli	Escherichia coli	MIC	>	64	ug/ml	24175613
NPT175	Organism	Enterococcus faecalis	Enterococcus faecalis	MIC	=	8	ug/ml	24175613
NPT1118	Organism	Streptococcus pneumoniae	Streptococcus pneumoniae	MIC	=	4	ug/ml	24175613
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MIC	=	2	ug/ml	24175613
NPT2709	Organism	Bacillus subtilis subsp. subtilis str. 168	Bacillus subtilis subsp. subtilis str. 168	MIC	=	8	ug/ml	24175613

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 NPC243701 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	320
0.1-0.2	1308
0.2-0.3	2739
0.3-0.4	5899
0.4-0.5	6851
0.5-0.6	3109
0.6-0.7	4204
0.7-0.8	4149
0.8-0.85	2068
0.85-0.9	240
0.9-0.95	2
0.95-1	0

Similarity Score	Similarity Level	Natural Product ID
0.9108	High Similarity	NPC263483
0.9026	High Similarity	NPC198927
0.8974	High Similarity	NPC271681
0.8924	High Similarity	NPC146211
0.8917	High Similarity	NPC192189
0.891	High Similarity	NPC133856
0.8896	High Similarity	NPC22005
0.8896	High Similarity	NPC123202
0.8896	High Similarity	NPC7943
0.8889	High Similarity	NPC312789
0.8868	High Similarity	NPC246466
0.8854	High Similarity	NPC175978
0.8846	High Similarity	NPC202595
0.8846	High Similarity	NPC158866
0.8839	High Similarity	NPC37139
0.8839	High Similarity	NPC27221
0.8839	High Similarity	NPC256672
0.8839	High Similarity	NPC211811
0.8839	High Similarity	NPC7025
0.8831	High Similarity	NPC260946
0.8808	High Similarity	NPC165172
0.8797	High Similarity	NPC214632
0.8788	High Similarity	NPC109827
0.8788	High Similarity	NPC124470
0.8782	High Similarity	NPC97028
0.8782	High Similarity	NPC291049
0.8782	High Similarity	NPC97029
0.8782	High Similarity	NPC158338
0.8782	High Similarity	NPC233267
0.8782	High Similarity	NPC288036
0.8782	High Similarity	NPC100985
0.8782	High Similarity	NPC65589
0.878	High Similarity	NPC95715
0.8774	High Similarity	NPC259632
0.8766	High Similarity	NPC473692
0.8766	High Similarity	NPC28632
0.8758	High Similarity	NPC143050
0.875	High Similarity	NPC201127
0.8743	High Similarity	NPC245975
0.8742	High Similarity	NPC57380
0.8742	High Similarity	NPC317585
0.8742	High Similarity	NPC89625
0.8742	High Similarity	NPC149618
0.8734	High Similarity	NPC217447
0.8734	High Similarity	NPC273483
0.8727	High Similarity	NPC49487
0.8727	High Similarity	NPC99613
0.8726	High Similarity	NPC119929
0.8726	High Similarity	NPC295036
0.8726	High Similarity	NPC150928
0.8726	High Similarity	NPC60413
0.8726	High Similarity	NPC470107
0.8726	High Similarity	NPC325983
0.872	High Similarity	NPC29160
0.872	High Similarity	NPC30027
0.872	High Similarity	NPC20237
0.8718	High Similarity	NPC471641
0.8718	High Similarity	NPC105415
0.8718	High Similarity	NPC153417
0.8718	High Similarity	NPC240622
0.8718	High Similarity	NPC240253
0.8718	High Similarity	NPC471642
0.8712	High Similarity	NPC474350
0.8712	High Similarity	NPC249181
0.8704	High Similarity	NPC117985
0.8704	High Similarity	NPC66288
0.8679	High Similarity	NPC137301
0.8679	High Similarity	NPC478231
0.8679	High Similarity	NPC472799
0.8671	High Similarity	NPC295436
0.8667	High Similarity	NPC76647
0.8667	High Similarity	NPC283041
0.8667	High Similarity	NPC234331
0.8662	High Similarity	NPC269420
0.8662	High Similarity	NPC77325
0.8662	High Similarity	NPC4423
0.8662	High Similarity	NPC70764
0.8662	High Similarity	NPC6923
0.8659	High Similarity	NPC191930
0.8654	High Similarity	NPC129650
0.865	High Similarity	NPC294965
0.8642	High Similarity	NPC470810
0.8642	High Similarity	NPC186325
0.8642	High Similarity	NPC130955
0.8642	High Similarity	NPC313368
0.8642	High Similarity	NPC472055
0.8634	High Similarity	NPC476930
0.8634	High Similarity	NPC474637
0.8634	High Similarity	NPC472889
0.8631	High Similarity	NPC474345
0.8625	High Similarity	NPC478221
0.8625	High Similarity	NPC471456
0.8625	High Similarity	NPC16286
0.8623	High Similarity	NPC473113
0.8623	High Similarity	NPC158226
0.8616	High Similarity	NPC154683
0.8616	High Similarity	NPC40356
0.8616	High Similarity	NPC45934
0.8616	High Similarity	NPC115249
0.8614	High Similarity	NPC163130
0.8614	High Similarity	NPC473095
0.8614	High Similarity	NPC26568
0.8614	High Similarity	NPC473096
0.8614	High Similarity	NPC165979
0.8608	High Similarity	NPC475717
0.8608	High Similarity	NPC180351
0.8606	High Similarity	NPC62444
0.8599	High Similarity	NPC2569
0.8599	High Similarity	NPC172329
0.8598	High Similarity	NPC270837
0.8596	High Similarity	NPC475656
0.8596	High Similarity	NPC475148
0.859	High Similarity	NPC225173
0.859	High Similarity	NPC267509
0.859	High Similarity	NPC163846
0.859	High Similarity	NPC178343
0.859	High Similarity	NPC5820
0.859	High Similarity	NPC306488
0.8589	High Similarity	NPC273467
0.8589	High Similarity	NPC189552
0.8581	High Similarity	NPC158874
0.8581	High Similarity	NPC470216
0.858	High Similarity	NPC177650
0.858	High Similarity	NPC470339
0.8571	High Similarity	NPC474360
0.8571	High Similarity	NPC94076
0.8571	High Similarity	NPC4547
0.8571	High Similarity	NPC182255
0.8571	High Similarity	NPC475799
0.8571	High Similarity	NPC476229
0.8571	High Similarity	NPC13779
0.8571	High Similarity	NPC472054
0.8571	High Similarity	NPC472050
0.8571	High Similarity	NPC82913
0.8571	High Similarity	NPC322112
0.8571	High Similarity	NPC476152
0.8563	High Similarity	NPC20543
0.8563	High Similarity	NPC246716
0.8563	High Similarity	NPC1827
0.8563	High Similarity	NPC239440
0.8563	High Similarity	NPC313717
0.8563	High Similarity	NPC298778
0.8563	High Similarity	NPC476196
0.8563	High Similarity	NPC10576
0.8563	High Similarity	NPC315306
0.8562	High Similarity	NPC329844
0.8562	High Similarity	NPC210942
0.8562	High Similarity	NPC169990
0.8562	High Similarity	NPC193200
0.8562	High Similarity	NPC301233
0.8554	High Similarity	NPC473094
0.8553	High Similarity	NPC474417
0.8553	High Similarity	NPC70016
0.8553	High Similarity	NPC232645
0.8553	High Similarity	NPC72958
0.8553	High Similarity	NPC215921
0.8553	High Similarity	NPC149526
0.8553	High Similarity	NPC258249
0.8553	High Similarity	NPC76376
0.8553	High Similarity	NPC478148
0.8545	High Similarity	NPC189689
0.8545	High Similarity	NPC316262
0.8545	High Similarity	NPC267153
0.8545	High Similarity	NPC314653
0.8544	High Similarity	NPC477941
0.8544	High Similarity	NPC65775
0.8544	High Similarity	NPC10027
0.8544	High Similarity	NPC473978
0.8543	High Similarity	NPC50455
0.8543	High Similarity	NPC158481
0.8543	High Similarity	NPC242712
0.8538	High Similarity	NPC208069
0.8537	High Similarity	NPC94796
0.8537	High Similarity	NPC93739
0.8535	High Similarity	NPC125801
0.8535	High Similarity	NPC14098
0.8535	High Similarity	NPC71055
0.8535	High Similarity	NPC166583
0.8535	High Similarity	NPC118027
0.8535	High Similarity	NPC312929
0.8535	High Similarity	NPC56433
0.8535	High Similarity	NPC53362
0.8535	High Similarity	NPC245584
0.8535	High Similarity	NPC190648
0.8535	High Similarity	NPC289042
0.8535	High Similarity	NPC126767
0.8529	High Similarity	NPC207467
0.8529	High Similarity	NPC477682
0.8529	High Similarity	NPC477683
0.8528	High Similarity	NPC246478
0.8528	High Similarity	NPC471744
0.8528	High Similarity	NPC475107
0.8528	High Similarity	NPC312993
0.8528	High Similarity	NPC43490
0.8526	High Similarity	NPC75694
0.8526	High Similarity	NPC216538
0.8526	High Similarity	NPC32470
0.8526	High Similarity	NPC273538
0.8526	High Similarity	NPC134621
0.8521	High Similarity	NPC470454

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC243701 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	334
0.1-0.2	944
0.2-0.3	1896
0.3-0.4	2536
0.4-0.5	1898
0.5-0.6	988
0.6-0.7	382
0.7-0.8	151
0.8-0.85	25
0.85-0.9	7
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.8618	High Similarity	NPD970	Clinical (unspecified phase)
0.8537	High Similarity	NPD6232	Discontinued
0.8526	High Similarity	NPD2534	Approved
0.8526	High Similarity	NPD4378	Clinical (unspecified phase)
0.8526	High Similarity	NPD2533	Approved
0.8526	High Similarity	NPD2532	Approved
0.8519	High Similarity	NPD7075	Discontinued
0.8494	Intermediate Similarity	NPD7473	Discontinued
0.8447	Intermediate Similarity	NPD7819	Suspended
0.8428	Intermediate Similarity	NPD3226	Approved
0.8395	Intermediate Similarity	NPD3817	Phase 2
0.8385	Intermediate Similarity	NPD6801	Discontinued
0.8333	Intermediate Similarity	NPD7096	Clinical (unspecified phase)
0.8261	Intermediate Similarity	NPD6599	Discontinued
0.8253	Intermediate Similarity	NPD6959	Discontinued
0.8239	Intermediate Similarity	NPD1512	Approved
0.821	Intermediate Similarity	NPD7411	Suspended
0.8171	Intermediate Similarity	NPD5402	Approved
0.8113	Intermediate Similarity	NPD1511	Approved
0.8113	Intermediate Similarity	NPD6799	Approved
0.811	Intermediate Similarity	NPD2801	Approved
0.811	Intermediate Similarity	NPD2393	Clinical (unspecified phase)
0.807	Intermediate Similarity	NPD7804	Clinical (unspecified phase)
0.8061	Intermediate Similarity	NPD8443	Clinical (unspecified phase)
0.8049	Intermediate Similarity	NPD1934	Approved
0.8038	Intermediate Similarity	NPD3750	Approved
0.8037	Intermediate Similarity	NPD4380	Phase 2
0.8036	Intermediate Similarity	NPD1247	Approved
0.8024	Intermediate Similarity	NPD919	Approved
0.8012	Intermediate Similarity	NPD3882	Suspended
0.8	Intermediate Similarity	NPD7852	Clinical (unspecified phase)
0.8	Intermediate Similarity	NPD1465	Phase 2
0.7989	Intermediate Similarity	NPD4338	Clinical (unspecified phase)
0.7975	Intermediate Similarity	NPD2800	Approved
0.7965	Intermediate Similarity	NPD5844	Phase 1
0.7963	Intermediate Similarity	NPD5403	Approved
0.7962	Intermediate Similarity	NPD1552	Clinical (unspecified phase)
0.7962	Intermediate Similarity	NPD2346	Discontinued
0.7962	Intermediate Similarity	NPD1550	Clinical (unspecified phase)
0.795	Intermediate Similarity	NPD5401	Approved
0.795	Intermediate Similarity	NPD7410	Clinical (unspecified phase)
0.7949	Intermediate Similarity	NPD1509	Clinical (unspecified phase)
0.7949	Intermediate Similarity	NPD1510	Phase 2
0.7935	Intermediate Similarity	NPD1607	Approved
0.7933	Intermediate Similarity	NPD7879	Clinical (unspecified phase)
0.7911	Intermediate Similarity	NPD1549	Phase 2
0.7904	Intermediate Similarity	NPD4868	Clinical (unspecified phase)
0.7895	Intermediate Similarity	NPD6167	Clinical (unspecified phase)
0.7895	Intermediate Similarity	NPD6168	Clinical (unspecified phase)
0.7895	Intermediate Similarity	NPD6166	Phase 2
0.7882	Intermediate Similarity	NPD5710	Approved
0.7882	Intermediate Similarity	NPD5711	Approved
0.7874	Intermediate Similarity	NPD6797	Phase 2
0.7862	Intermediate Similarity	NPD1243	Approved
0.7857	Intermediate Similarity	NPD3749	Approved
0.7857	Intermediate Similarity	NPD4381	Clinical (unspecified phase)
0.7853	Intermediate Similarity	NPD920	Approved
0.7829	Intermediate Similarity	NPD6559	Discontinued
0.7829	Intermediate Similarity	NPD7251	Discontinued
0.7806	Intermediate Similarity	NPD1240	Approved
0.7803	Intermediate Similarity	NPD3818	Discontinued
0.7785	Intermediate Similarity	NPD1551	Phase 2
0.7784	Intermediate Similarity	NPD7808	Phase 3
0.775	Intermediate Similarity	NPD7421	Clinical (unspecified phase)
0.773	Intermediate Similarity	NPD642	Clinical (unspecified phase)
0.7722	Intermediate Similarity	NPD3748	Approved
0.7702	Intermediate Similarity	NPD6398	Clinical (unspecified phase)
0.7692	Intermediate Similarity	NPD7768	Phase 2
0.7673	Intermediate Similarity	NPD2796	Approved
0.7673	Intermediate Similarity	NPD2935	Discontinued
0.767	Intermediate Similarity	NPD7993	Clinical (unspecified phase)
0.7669	Intermediate Similarity	NPD7390	Discontinued
0.7661	Intermediate Similarity	NPD5494	Approved
0.7657	Intermediate Similarity	NPD7054	Approved
0.7614	Intermediate Similarity	NPD7472	Approved
0.7614	Intermediate Similarity	NPD7074	Phase 3
0.7607	Intermediate Similarity	NPD643	Clinical (unspecified phase)
0.7593	Intermediate Similarity	NPD1878	Clinical (unspecified phase)
0.7564	Intermediate Similarity	NPD2313	Discontinued
0.7562	Intermediate Similarity	NPD6099	Approved
0.7562	Intermediate Similarity	NPD6100	Approved
0.7542	Intermediate Similarity	NPD8312	Approved
0.7542	Intermediate Similarity	NPD8313	Approved
0.7532	Intermediate Similarity	NPD230	Phase 1
0.7532	Intermediate Similarity	NPD447	Suspended
0.7516	Intermediate Similarity	NPD1471	Phase 3
0.7513	Intermediate Similarity	NPD7435	Discontinued
0.75	Intermediate Similarity	NPD651	Clinical (unspecified phase)
0.75	Intermediate Similarity	NPD2799	Discontinued
0.7485	Intermediate Similarity	NPD4628	Phase 3
0.7484	Intermediate Similarity	NPD6651	Approved
0.7472	Intermediate Similarity	NPD5953	Discontinued
0.7432	Intermediate Similarity	NPD8397	Clinical (unspecified phase)
0.7429	Intermediate Similarity	NPD7184	Clinical (unspecified phase)
0.7429	Intermediate Similarity	NPD3926	Phase 2
0.7418	Intermediate Similarity	NPD8434	Phase 2
0.7418	Intermediate Similarity	NPD8150	Discontinued
0.7412	Intermediate Similarity	NPD37	Approved
0.7401	Intermediate Similarity	NPD3751	Discontinued
0.7399	Intermediate Similarity	NPD5537	Clinical (unspecified phase)
0.7399	Intermediate Similarity	NPD6234	Discontinued
0.7386	Intermediate Similarity	NPD2403	Approved
0.7384	Intermediate Similarity	NPD4966	Approved
0.7384	Intermediate Similarity	NPD4965	Approved
0.7384	Intermediate Similarity	NPD4967	Phase 2
0.738	Intermediate Similarity	NPD8090	Clinical (unspecified phase)
0.736	Intermediate Similarity	NPD7286	Phase 2
0.7358	Intermediate Similarity	NPD4060	Phase 1
0.7354	Intermediate Similarity	NPD6779	Approved
0.7354	Intermediate Similarity	NPD6778	Approved
0.7354	Intermediate Similarity	NPD6782	Approved
0.7354	Intermediate Similarity	NPD6781	Approved
0.7354	Intermediate Similarity	NPD7501	Clinical (unspecified phase)
0.7354	Intermediate Similarity	NPD6777	Approved
0.7354	Intermediate Similarity	NPD6780	Approved
0.7354	Intermediate Similarity	NPD6776	Approved
0.7342	Intermediate Similarity	NPD6859	Clinical (unspecified phase)
0.7342	Intermediate Similarity	NPD3268	Approved
0.7342	Intermediate Similarity	NPD411	Approved
0.732	Intermediate Similarity	NPD422	Phase 1
0.732	Intermediate Similarity	NPD8151	Discontinued
0.7282	Intermediate Similarity	NPD7874	Approved
0.7282	Intermediate Similarity	NPD7875	Clinical (unspecified phase)
0.7273	Intermediate Similarity	NPD3787	Discontinued
0.7273	Intermediate Similarity	NPD9717	Approved
0.7273	Intermediate Similarity	NPD7229	Phase 3
0.725	Intermediate Similarity	NPD943	Approved
0.7244	Intermediate Similarity	NPD1203	Approved
0.724	Intermediate Similarity	NPD7696	Phase 3
0.724	Intermediate Similarity	NPD7698	Approved
0.724	Intermediate Similarity	NPD7697	Approved
0.7239	Intermediate Similarity	NPD5404	Approved
0.7239	Intermediate Similarity	NPD5405	Approved
0.7239	Intermediate Similarity	NPD5408	Approved
0.7239	Intermediate Similarity	NPD5406	Approved
0.7235	Intermediate Similarity	NPD5808	Clinical (unspecified phase)
0.7233	Intermediate Similarity	NPD1699	Clinical (unspecified phase)
0.7219	Intermediate Similarity	NPD6980	Clinical (unspecified phase)
0.7216	Intermediate Similarity	NPD7199	Phase 2
0.7202	Intermediate Similarity	NPD7870	Phase 2
0.7202	Intermediate Similarity	NPD7871	Phase 2
0.7198	Intermediate Similarity	NPD4419	Clinical (unspecified phase)
0.7195	Intermediate Similarity	NPD2344	Approved
0.7179	Intermediate Similarity	NPD1283	Approved
0.7178	Intermediate Similarity	NPD4308	Phase 3
0.7174	Intermediate Similarity	NPD8055	Clinical (unspecified phase)
0.717	Intermediate Similarity	NPD4625	Phase 3
0.7161	Intermediate Similarity	NPD1608	Approved
0.7157	Intermediate Similarity	NPD7782	Clinical (unspecified phase)
0.7157	Intermediate Similarity	NPD7783	Phase 2
0.7135	Intermediate Similarity	NPD7458	Discontinued
0.7134	Intermediate Similarity	NPD3266	Approved
0.7134	Intermediate Similarity	NPD1470	Approved
0.7134	Intermediate Similarity	NPD3267	Approved
0.7126	Intermediate Similarity	NPD4288	Approved
0.712	Intermediate Similarity	NPD8285	Discontinued
0.7113	Intermediate Similarity	NPD8320	Phase 1
0.7113	Intermediate Similarity	NPD8319	Approved
0.7111	Intermediate Similarity	NPD7228	Approved
0.7101	Intermediate Similarity	NPD7004	Clinical (unspecified phase)
0.7099	Intermediate Similarity	NPD5124	Phase 1
0.7099	Intermediate Similarity	NPD5123	Clinical (unspecified phase)
0.7097	Intermediate Similarity	NPD1201	Approved
0.7095	Intermediate Similarity	NPD7784	Clinical (unspecified phase)
0.7092	Intermediate Similarity	NPD7701	Phase 2
0.709	Intermediate Similarity	NPD6534	Approved
0.709	Intermediate Similarity	NPD6535	Approved
0.7078	Intermediate Similarity	NPD4626	Approved
0.707	Intermediate Similarity	NPD3225	Approved
0.7066	Intermediate Similarity	NPD7003	Approved
0.7044	Intermediate Similarity	NPD1530	Clinical (unspecified phase)
0.7025	Intermediate Similarity	NPD2797	Approved
0.7024	Intermediate Similarity	NPD2309	Approved
0.7024	Intermediate Similarity	NPD6190	Approved
0.7019	Intermediate Similarity	NPD3764	Approved
0.7019	Intermediate Similarity	NPD6798	Discontinued
0.7019	Intermediate Similarity	NPD1296	Phase 2
0.7017	Intermediate Similarity	NPD7893	Clinical (unspecified phase)
0.7017	Intermediate Similarity	NPD7177	Discontinued
0.7006	Intermediate Similarity	NPD4749	Approved
0.7	Intermediate Similarity	NPD1529	Clinical (unspecified phase)
0.7	Intermediate Similarity	NPD6832	Phase 2
0.7	Intermediate Similarity	NPD7422	Clinical (unspecified phase)
0.6994	Remote Similarity	NPD1899	Clinical (unspecified phase)
0.6994	Remote Similarity	NPD6355	Discontinued
0.6987	Remote Similarity	NPD1281	Approved
0.6985	Remote Similarity	NPD7801	Approved
0.6979	Remote Similarity	NPD7700	Phase 2
0.6979	Remote Similarity	NPD7699	Phase 2
0.6977	Remote Similarity	NPD1653	Approved
0.697	Remote Similarity	NPD7033	Discontinued
0.6968	Remote Similarity	NPD4287	Approved
0.6968	Remote Similarity	NPD17	Approved
0.6954	Remote Similarity	NPD7615	Clinical (unspecified phase)
0.6948	Remote Similarity	NPD9545	Approved
0.6943	Remote Similarity	NPD9269	Phase 2
0.6941	Remote Similarity	NPD6143	Clinical (unspecified phase)
0.6933	Remote Similarity	NPD1613	Approved
0.6933	Remote Similarity	NPD4307	Phase 2
0.6933	Remote Similarity	NPD1612	Clinical (unspecified phase)

Structure

CID243701 OpenBabel06191716042D 23 25 0 0 0 0 0 0 0 0999 V2000 -6.0622 1.5000 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 -5.1962 -0.0000 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 -5.1962 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 -4.3301 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4641 1.0000 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 -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 -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 -0.8660 -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 -4.3301 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 2.5000 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 -0.8660 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 2.5000 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 0.0000 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 2 21 1 0 0 0 0 3 5 2 0 0 0 0 3 7 1 0 0 0 0 4 6 2 0 0 0 0 4 8 1 0 0 0 0 5 22 1 0 0 0 0 6 9 1 0 0 0 0 6 11 1 0 0 0 0 7 10 1 0 0 0 0 7 16 2 0 0 0 0 8 10 2 0 0 0 0 8 22 1 0 0 0 0 9 12 2 0 0 0 0 9 14 1 0 0 0 0 10 12 1 0 0 0 0 11 13 2 0 0 0 0 11 17 1 0 0 0 0 12 18 1 0 0 0 0 13 15 1 0 0 0 0 13 23 1 0 0 0 0 14 19 2 0 0 0 0 14 23 1 0 0 0 0 15 20 2 0 0 0 0 15 21 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	54692970
ChEMBL	CHEMBL3086843
ZINC

Physicochemical Properties

Molecular Weight:	318.04
ALogP:	-1.1464
MLogP:	2.23
XLogP:	1.539
# Rotatable Bonds:	6
Polar Surface Area:	119.36
# H-Bond Aceptor:	6
# H-Bond Donor:	2
# Rings:	3
# Heavy Atoms:	23

Download Data

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