NPASS Natural Product

Natural Product: NPC472787

Natural Product ID:	NPC472787
Common Name:	n.a.
IUPAC Name:
Synonyms:
Molecular Formula:	C20H22O5
Standard InCHIKey:	FYMBAVJVYAXZHX-ZCRWSXSMSA-N
Standard InCHI:	InChI=1S/C20H22O5/c1-19-6-5-12(21)9-8-25-18(16(9)19)17(24)15-10-3-4-13(22)20(10,2)14(23)7-11(15)19/h8,10,12,14,21,23H,3-7H2,1-2H3/t10-,12-,14+,19+,20-/m0/s1
Canonical SMILES:	O[C@@H]1CC2=C([C@H]3[C@@]1(C)C(=O)CC3)C(=O)c1c3[C@]2(C)CC[C@@H](c3co1)O
First Find Year:
Max Developmental Stage:
Synthetic Gene Cluster:	;

Species Source

Organism ID	Organism Name	Taxonomy Level	Family	SuperKingdom	Isolation Part	Collection Location	Collection Time	Reference
NPO33177	nodulisporium sp.	Species	Xylariaceae	Eukaryota				PMID[25978520]

Biological Activity

Activity Type	# Activity
IC50	1
Others	1

Activity Type	# Activity
Individual Protein	2

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT78	Individual Protein	Beta amyloid A4 protein	Homo sapiens	Inhibition	=	70.4	%	20594622
NPT78	Individual Protein	Beta amyloid A4 protein	Homo sapiens	IC50	=	43500	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 NPC472787 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	257
0.1-0.2	1102
0.2-0.3	2098
0.3-0.4	4037
0.4-0.5	8088
0.5-0.6	6857
0.6-0.7	6512
0.7-0.8	1824
0.8-0.85	98
0.85-0.9	10
0.9-0.95	5
0.95-1	1

Similarity Score	Similarity Level	Natural Product ID
0.9795	High Similarity	NPC472785
0.9267	High Similarity	NPC472786
0.9097	High Similarity	NPC473681
0.9097	High Similarity	NPC61157
0.9097	High Similarity	NPC218204
0.9007	High Similarity	NPC475777
0.8889	High Similarity	NPC75310
0.8861	High Similarity	NPC472784
0.8836	High Similarity	NPC18904
0.8784	High Similarity	NPC64568
0.8671	High Similarity	NPC472783
0.8671	High Similarity	NPC472780
0.8662	High Similarity	NPC333139
0.8609	High Similarity	NPC97904
0.8608	High Similarity	NPC472782
0.8608	High Similarity	NPC472781
0.8481	Intermediate Similarity	NPC116639
0.8462	Intermediate Similarity	NPC114880
0.8446	Intermediate Similarity	NPC177262
0.8446	Intermediate Similarity	NPC471996
0.8442	Intermediate Similarity	NPC211625
0.8408	Intermediate Similarity	NPC88958
0.8385	Intermediate Similarity	NPC261184
0.8365	Intermediate Similarity	NPC472823
0.8344	Intermediate Similarity	NPC62103
0.8344	Intermediate Similarity	NPC20578
0.8333	Intermediate Similarity	NPC475779
0.8323	Intermediate Similarity	NPC663
0.8323	Intermediate Similarity	NPC224394
0.8302	Intermediate Similarity	NPC221992
0.8301	Intermediate Similarity	NPC185456
0.8293	Intermediate Similarity	NPC44602
0.8289	Intermediate Similarity	NPC205071
0.8288	Intermediate Similarity	NPC471995
0.8278	Intermediate Similarity	NPC205765
0.8264	Intermediate Similarity	NPC329707
0.825	Intermediate Similarity	NPC477403
0.825	Intermediate Similarity	NPC474611
0.8247	Intermediate Similarity	NPC262198
0.8247	Intermediate Similarity	NPC346
0.8247	Intermediate Similarity	NPC62799
0.8235	Intermediate Similarity	NPC476944
0.8228	Intermediate Similarity	NPC178932
0.8205	Intermediate Similarity	NPC470998
0.82	Intermediate Similarity	NPC472376
0.8199	Intermediate Similarity	NPC477402
0.8194	Intermediate Similarity	NPC302987
0.8194	Intermediate Similarity	NPC224418
0.8187	Intermediate Similarity	NPC304692
0.8182	Intermediate Similarity	NPC41182
0.8176	Intermediate Similarity	NPC469336
0.8176	Intermediate Similarity	NPC179170
0.8171	Intermediate Similarity	NPC473753
0.8171	Intermediate Similarity	NPC473766
0.8171	Intermediate Similarity	NPC478179
0.8165	Intermediate Similarity	NPC246164
0.8148	Intermediate Similarity	NPC69028
0.8148	Intermediate Similarity	NPC18986
0.8141	Intermediate Similarity	NPC19747
0.8137	Intermediate Similarity	NPC140952
0.8125	Intermediate Similarity	NPC104736
0.8121	Intermediate Similarity	NPC191012
0.8117	Intermediate Similarity	NPC84479
0.811	Intermediate Similarity	NPC478178
0.811	Intermediate Similarity	NPC121995
0.8101	Intermediate Similarity	NPC272590
0.8095	Intermediate Similarity	NPC475080
0.8095	Intermediate Similarity	NPC167340
0.8086	Intermediate Similarity	NPC287559
0.8077	Intermediate Similarity	NPC250228
0.8075	Intermediate Similarity	NPC81405
0.8075	Intermediate Similarity	NPC261597
0.8065	Intermediate Similarity	NPC114513
0.8065	Intermediate Similarity	NPC245522
0.8063	Intermediate Similarity	NPC469966
0.8063	Intermediate Similarity	NPC214541
0.8063	Intermediate Similarity	NPC35000
0.8063	Intermediate Similarity	NPC44675
0.8063	Intermediate Similarity	NPC281258
0.8061	Intermediate Similarity	NPC476850
0.8061	Intermediate Similarity	NPC476861
0.8052	Intermediate Similarity	NPC267632
0.8052	Intermediate Similarity	NPC243577
0.8052	Intermediate Similarity	NPC476946
0.805	Intermediate Similarity	NPC75906
0.805	Intermediate Similarity	NPC33938
0.805	Intermediate Similarity	NPC470996
0.805	Intermediate Similarity	NPC145830
0.8049	Intermediate Similarity	NPC276551
0.8049	Intermediate Similarity	NPC470940
0.8049	Intermediate Similarity	NPC472664
0.8049	Intermediate Similarity	NPC476858
0.8049	Intermediate Similarity	NPC476856
0.8049	Intermediate Similarity	NPC123088
0.8049	Intermediate Similarity	NPC476857
0.8047	Intermediate Similarity	NPC478177
0.8038	Intermediate Similarity	NPC470997
0.8037	Intermediate Similarity	NPC329938
0.8037	Intermediate Similarity	NPC5079
0.8037	Intermediate Similarity	NPC197596
0.8037	Intermediate Similarity	NPC193798
0.8036	Intermediate Similarity	NPC169018
0.8025	Intermediate Similarity	NPC93666
0.8025	Intermediate Similarity	NPC473368
0.8013	Intermediate Similarity	NPC233763
0.8013	Intermediate Similarity	NPC4764
0.8012	Intermediate Similarity	NPC41880
0.8012	Intermediate Similarity	NPC469485
0.8	Intermediate Similarity	NPC470875
0.8	Intermediate Similarity	NPC30222
0.8	Intermediate Similarity	NPC57998
0.8	Intermediate Similarity	NPC23387
0.8	Intermediate Similarity	NPC149945
0.8	Intermediate Similarity	NPC98943
0.7988	Intermediate Similarity	NPC51568
0.7988	Intermediate Similarity	NPC88841
0.7988	Intermediate Similarity	NPC234660
0.7988	Intermediate Similarity	NPC288602
0.7988	Intermediate Similarity	NPC292389
0.7988	Intermediate Similarity	NPC469338
0.7988	Intermediate Similarity	NPC477405
0.7988	Intermediate Similarity	NPC283209
0.7987	Intermediate Similarity	NPC263337
0.7986	Intermediate Similarity	NPC178382
0.7975	Intermediate Similarity	NPC195325
0.7975	Intermediate Similarity	NPC25255
0.7975	Intermediate Similarity	NPC472654
0.7975	Intermediate Similarity	NPC192069
0.7973	Intermediate Similarity	NPC61788
0.7963	Intermediate Similarity	NPC36655
0.7963	Intermediate Similarity	NPC249021
0.7963	Intermediate Similarity	NPC173544
0.7963	Intermediate Similarity	NPC472772
0.7963	Intermediate Similarity	NPC472283
0.7961	Intermediate Similarity	NPC220094
0.7952	Intermediate Similarity	NPC314653
0.7952	Intermediate Similarity	NPC316262
0.7952	Intermediate Similarity	NPC476853
0.795	Intermediate Similarity	NPC92979
0.795	Intermediate Similarity	NPC25351
0.795	Intermediate Similarity	NPC264943
0.7941	Intermediate Similarity	NPC475398
0.7941	Intermediate Similarity	NPC472665
0.7939	Intermediate Similarity	NPC476860
0.7939	Intermediate Similarity	NPC469849
0.7939	Intermediate Similarity	NPC56358
0.7937	Intermediate Similarity	NPC471613
0.7937	Intermediate Similarity	NPC469503
0.7935	Intermediate Similarity	NPC103134
0.7929	Intermediate Similarity	NPC471437
0.7927	Intermediate Similarity	NPC313368
0.7927	Intermediate Similarity	NPC188649
0.7927	Intermediate Similarity	NPC472767
0.7927	Intermediate Similarity	NPC263432
0.7925	Intermediate Similarity	NPC46551
0.7925	Intermediate Similarity	NPC212257
0.7925	Intermediate Similarity	NPC159927
0.7925	Intermediate Similarity	NPC469335
0.7919	Intermediate Similarity	NPC473982
0.7917	Intermediate Similarity	NPC20734
0.7914	Intermediate Similarity	NPC10051
0.7914	Intermediate Similarity	NPC475967
0.7914	Intermediate Similarity	NPC299094
0.7914	Intermediate Similarity	NPC84349
0.7908	Intermediate Similarity	NPC202260
0.7904	Intermediate Similarity	NPC475109
0.7904	Intermediate Similarity	NPC471397
0.7904	Intermediate Similarity	NPC296558
0.7901	Intermediate Similarity	NPC60973
0.7898	Intermediate Similarity	NPC471292
0.7895	Intermediate Similarity	NPC295914
0.7895	Intermediate Similarity	NPC310830
0.7895	Intermediate Similarity	NPC470742
0.7892	Intermediate Similarity	NPC476931
0.7888	Intermediate Similarity	NPC282793
0.7885	Intermediate Similarity	NPC142113
0.7885	Intermediate Similarity	NPC199044
0.7885	Intermediate Similarity	NPC238843
0.7879	Intermediate Similarity	NPC285567
0.7879	Intermediate Similarity	NPC165218
0.7871	Intermediate Similarity	NPC473152
0.787	Intermediate Similarity	NPC313717
0.787	Intermediate Similarity	NPC315306
0.7867	Intermediate Similarity	NPC214097
0.7866	Intermediate Similarity	NPC335761
0.7862	Intermediate Similarity	NPC234494
0.7857	Intermediate Similarity	NPC148374
0.7857	Intermediate Similarity	NPC193222
0.7857	Intermediate Similarity	NPC90296
0.7857	Intermediate Similarity	NPC302392
0.7853	Intermediate Similarity	NPC472776
0.7853	Intermediate Similarity	NPC187149
0.7853	Intermediate Similarity	NPC472778
0.7853	Intermediate Similarity	NPC472777
0.7853	Intermediate Similarity	NPC194499
0.7849	Intermediate Similarity	NPC233978
0.7848	Intermediate Similarity	NPC471174
0.7844	Intermediate Similarity	NPC472775
0.7844	Intermediate Similarity	NPC472774
0.7844	Intermediate Similarity	NPC136641

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC472787 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	265
0.1-0.2	898
0.2-0.3	1714
0.3-0.4	2633
0.4-0.5	2181
0.5-0.6	1082
0.6-0.7	361
0.7-0.8	24
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
0.8662	High Similarity	NPD5537	Clinical (unspecified phase)
0.8176	Intermediate Similarity	NPD5761	Phase 2
0.8176	Intermediate Similarity	NPD5760	Phase 2
0.7882	Intermediate Similarity	NPD6764	Approved
0.7882	Intermediate Similarity	NPD6765	Approved
0.7861	Intermediate Similarity	NPD8434	Phase 2
0.7701	Intermediate Similarity	NPD6785	Approved
0.7701	Intermediate Similarity	NPD6784	Approved
0.7677	Intermediate Similarity	NPD1471	Phase 3
0.7468	Intermediate Similarity	NPD2800	Approved
0.7329	Intermediate Similarity	NPD7236	Approved
0.7239	Intermediate Similarity	NPD2532	Approved
0.7239	Intermediate Similarity	NPD2534	Approved
0.7239	Intermediate Similarity	NPD2533	Approved
0.7239	Intermediate Similarity	NPD4378	Clinical (unspecified phase)
0.7233	Intermediate Similarity	NPD2343	Clinical (unspecified phase)
0.7195	Intermediate Similarity	NPD6273	Approved
0.716	Intermediate Similarity	NPD8443	Clinical (unspecified phase)
0.7151	Intermediate Similarity	NPD1247	Approved
0.7125	Intermediate Similarity	NPD2344	Approved
0.7108	Intermediate Similarity	NPD7239	Suspended
0.703	Intermediate Similarity	NPD7004	Clinical (unspecified phase)
0.7024	Intermediate Similarity	NPD6599	Discontinued
0.7019	Intermediate Similarity	NPD2346	Discontinued
0.7018	Intermediate Similarity	NPD3882	Suspended
0.7	Intermediate Similarity	NPD2393	Clinical (unspecified phase)
0.7	Intermediate Similarity	NPD7096	Clinical (unspecified phase)
0.6994	Remote Similarity	NPD4628	Phase 3
0.6983	Remote Similarity	NPD6559	Discontinued
0.6981	Remote Similarity	NPD6651	Approved
0.6977	Remote Similarity	NPD7075	Discontinued
0.6964	Remote Similarity	NPD3226	Approved
0.6954	Remote Similarity	NPD6959	Discontinued
0.6951	Remote Similarity	NPD2309	Approved
0.6946	Remote Similarity	NPD920	Approved
0.6943	Remote Similarity	NPD3268	Approved
0.6941	Remote Similarity	NPD6801	Discontinued
0.6933	Remote Similarity	NPD7421	Clinical (unspecified phase)
0.6914	Remote Similarity	NPD6003	Clinical (unspecified phase)
0.6914	Remote Similarity	NPD6005	Phase 3
0.6914	Remote Similarity	NPD6006	Clinical (unspecified phase)
0.6914	Remote Similarity	NPD1552	Clinical (unspecified phase)
0.6914	Remote Similarity	NPD1550	Clinical (unspecified phase)
0.6914	Remote Similarity	NPD6004	Phase 3
0.6914	Remote Similarity	NPD6002	Phase 3
0.6901	Remote Similarity	NPD7819	Suspended
0.6897	Remote Similarity	NPD5494	Approved
0.6894	Remote Similarity	NPD2799	Discontinued
0.6882	Remote Similarity	NPD7411	Suspended
0.6871	Remote Similarity	NPD1549	Phase 2
0.6864	Remote Similarity	NPD5808	Clinical (unspecified phase)
0.6854	Remote Similarity	NPD7799	Discontinued
0.6852	Remote Similarity	NPD2796	Approved
0.6852	Remote Similarity	NPD6100	Approved
0.6852	Remote Similarity	NPD6099	Approved
0.6842	Remote Similarity	NPD1934	Approved
0.6839	Remote Similarity	NPD919	Approved
0.6836	Remote Similarity	NPD6167	Clinical (unspecified phase)
0.6836	Remote Similarity	NPD6166	Phase 2
0.6836	Remote Similarity	NPD6168	Clinical (unspecified phase)
0.6835	Remote Similarity	NPD2313	Discontinued
0.6826	Remote Similarity	NPD642	Clinical (unspecified phase)
0.6824	Remote Similarity	NPD4380	Phase 2
0.6821	Remote Similarity	NPD7058	Phase 2
0.6821	Remote Similarity	NPD7057	Phase 3
0.6816	Remote Similarity	NPD7804	Clinical (unspecified phase)
0.6813	Remote Similarity	NPD6355	Discontinued
0.6788	Remote Similarity	NPD6398	Clinical (unspecified phase)
0.6782	Remote Similarity	NPD3749	Approved
0.6776	Remote Similarity	NPD3412	Clinical (unspecified phase)
0.6768	Remote Similarity	NPD970	Clinical (unspecified phase)
0.6766	Remote Similarity	NPD6799	Approved
0.6763	Remote Similarity	NPD5402	Approved
0.6763	Remote Similarity	NPD3817	Phase 2
0.676	Remote Similarity	NPD3818	Discontinued
0.675	Remote Similarity	NPD8404	Phase 2
0.675	Remote Similarity	NPD4140	Approved
0.6748	Remote Similarity	NPD2935	Discontinued
0.6742	Remote Similarity	NPD2403	Approved
0.673	Remote Similarity	NPD1699	Clinical (unspecified phase)
0.6726	Remote Similarity	NPD7410	Clinical (unspecified phase)
0.6725	Remote Similarity	NPD7028	Phase 2
0.6723	Remote Similarity	NPD5711	Approved
0.6723	Remote Similarity	NPD5710	Approved
0.6707	Remote Similarity	NPD643	Clinical (unspecified phase)
0.6705	Remote Similarity	NPD2801	Approved
0.6688	Remote Similarity	NPD5647	Approved
0.6687	Remote Similarity	NPD1510	Phase 2
0.6687	Remote Similarity	NPD7033	Discontinued
0.6687	Remote Similarity	NPD8032	Phase 2
0.6686	Remote Similarity	NPD1512	Approved
0.6686	Remote Similarity	NPD4381	Clinical (unspecified phase)
0.6684	Remote Similarity	NPD3057	Approved
0.6667	Remote Similarity	NPD7458	Discontinued
0.6667	Remote Similarity	NPD8127	Discontinued
0.6667	Remote Similarity	NPD3751	Discontinued
0.6649	Remote Similarity	NPD7879	Clinical (unspecified phase)
0.6648	Remote Similarity	NPD6797	Phase 2
0.6648	Remote Similarity	NPD7852	Clinical (unspecified phase)
0.6647	Remote Similarity	NPD5403	Approved
0.6645	Remote Similarity	NPD3972	Approved
0.663	Remote Similarity	NPD5844	Phase 1
0.6629	Remote Similarity	NPD6808	Phase 2
0.6629	Remote Similarity	NPD4966	Approved
0.6629	Remote Similarity	NPD4967	Phase 2
0.6629	Remote Similarity	NPD4965	Approved
0.6627	Remote Similarity	NPD1243	Approved
0.6624	Remote Similarity	NPD3266	Approved
0.6624	Remote Similarity	NPD2797	Approved
0.6624	Remote Similarity	NPD3267	Approved
0.6612	Remote Similarity	NPD7251	Discontinued
0.6611	Remote Similarity	NPD7473	Discontinued
0.6606	Remote Similarity	NPD5763	Approved
0.6606	Remote Similarity	NPD5762	Approved
0.6605	Remote Similarity	NPD5735	Approved
0.6601	Remote Similarity	NPD4665	Approved
0.6601	Remote Similarity	NPD4111	Phase 1
0.6598	Remote Similarity	NPD3533	Approved
0.6598	Remote Similarity	NPD2972	Approved
0.6592	Remote Similarity	NPD7184	Clinical (unspecified phase)
0.6592	Remote Similarity	NPD3926	Phase 2
0.6587	Remote Similarity	NPD3750	Approved
0.6587	Remote Similarity	NPD7003	Approved
0.6582	Remote Similarity	NPD2798	Approved
0.6581	Remote Similarity	NPD1547	Clinical (unspecified phase)
0.6576	Remote Similarity	NPD4338	Clinical (unspecified phase)
0.6576	Remote Similarity	NPD4419	Clinical (unspecified phase)
0.6576	Remote Similarity	NPD7808	Phase 3
0.6575	Remote Similarity	NPD7893	Clinical (unspecified phase)
0.6571	Remote Similarity	NPD5616	Clinical (unspecified phase)
0.6568	Remote Similarity	NPD1511	Approved
0.6566	Remote Similarity	NPD2424	Discontinued
0.6564	Remote Similarity	NPD1607	Approved
0.6561	Remote Similarity	NPD1876	Approved
0.6559	Remote Similarity	NPD8055	Clinical (unspecified phase)
0.6558	Remote Similarity	NPD2932	Approved
0.6552	Remote Similarity	NPD37	Approved
0.6545	Remote Similarity	NPD1551	Phase 2
0.6543	Remote Similarity	NPD1240	Approved
0.6538	Remote Similarity	NPD9717	Approved
0.6537	Remote Similarity	NPD7907	Approved
0.6536	Remote Similarity	NPD6232	Discontinued
0.6536	Remote Similarity	NPD3787	Discontinued
0.6534	Remote Similarity	NPD4868	Clinical (unspecified phase)
0.6529	Remote Similarity	NPD5401	Approved
0.6524	Remote Similarity	NPD8150	Discontinued
0.6522	Remote Similarity	NPD6410	Clinical (unspecified phase)
0.6522	Remote Similarity	NPD6798	Discontinued
0.6513	Remote Similarity	NPD2491	Approved
0.6503	Remote Similarity	NPD7074	Phase 3
0.6503	Remote Similarity	NPD447	Suspended
0.65	Remote Similarity	NPD6832	Phase 2
0.6497	Remote Similarity	NPD5327	Phase 3
0.6488	Remote Similarity	NPD4110	Phase 3
0.6488	Remote Similarity	NPD4109	Clinical (unspecified phase)
0.6485	Remote Similarity	NPD4308	Phase 3
0.6481	Remote Similarity	NPD6233	Phase 2
0.6481	Remote Similarity	NPD6663	Approved
0.648	Remote Similarity	NPD7199	Phase 2
0.6478	Remote Similarity	NPD6007	Clinical (unspecified phase)
0.6477	Remote Similarity	NPD2296	Approved
0.6473	Remote Similarity	NPD5619	Clinical (unspecified phase)
0.6471	Remote Similarity	NPD9092	Discovery
0.6467	Remote Similarity	NPD7993	Clinical (unspecified phase)
0.6464	Remote Similarity	NPD4575	Clinical (unspecified phase)
0.6463	Remote Similarity	NPD6653	Approved
0.6463	Remote Similarity	NPD6353	Approved
0.6461	Remote Similarity	NPD6234	Discontinued
0.6457	Remote Similarity	NPD6279	Approved
0.6457	Remote Similarity	NPD6844	Discontinued
0.6457	Remote Similarity	NPD6280	Approved
0.6452	Remote Similarity	NPD8312	Approved
0.6452	Remote Similarity	NPD8313	Approved
0.6452	Remote Similarity	NPD3019	Approved
0.6448	Remote Similarity	NPD7054	Approved
0.6442	Remote Similarity	NPD4060	Phase 1
0.6441	Remote Similarity	NPD7768	Phase 2
0.6429	Remote Similarity	NPD3448	Approved
0.6424	Remote Similarity	NPD1241	Discontinued
0.642	Remote Similarity	NPD411	Approved
0.6418	Remote Similarity	NPD5676	Approved
0.6417	Remote Similarity	NPD8407	Phase 2
0.6415	Remote Similarity	NPD1203	Approved
0.6415	Remote Similarity	NPD1049	Clinical (unspecified phase)
0.6413	Remote Similarity	NPD7472	Approved
0.641	Remote Similarity	NPD4107	Approved
0.641	Remote Similarity	NPD7457	Clinical (unspecified phase)
0.6402	Remote Similarity	NPD1899	Clinical (unspecified phase)
0.6393	Remote Similarity	NPD2163	Approved
0.6391	Remote Similarity	NPD1878	Clinical (unspecified phase)
0.6386	Remote Similarity	NPD3299	Clinical (unspecified phase)
0.6386	Remote Similarity	NPD3748	Approved
0.6386	Remote Similarity	NPD1509	Clinical (unspecified phase)
0.6375	Remote Similarity	NPD6917	Clinical (unspecified phase)
0.6358	Remote Similarity	NPD7095	Approved
0.6358	Remote Similarity	NPD5952	Clinical (unspecified phase)
0.6354	Remote Similarity	NPD7229	Phase 3
0.6353	Remote Similarity	NPD3887	Approved
0.6344	Remote Similarity	NPD8368	Discontinued
0.6341	Remote Similarity	NPD3620	Phase 2

Structure

NPC472787 OpenBabel07101719512D 25 29 0 0 1 0 0 0 0 0999 V2000 0.0776 -3.5486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7553 -4.2599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5632 -2.1030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1509 -2.6649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0685 -2.5827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2024 -3.0827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6066 -3.5399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9945 -0.1045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2024 -1.0827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8471 -2.4883 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.4614 -2.7398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0685 -1.5827 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.7981 -3.3976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3721 -3.8142 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.0817 -2.2140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3364 -1.5827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0574 -1.4013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4067 -0.9135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3364 -2.5827 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.9923 -3.2884 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9345 -1.0827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2720 -4.2782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5506 -4.7981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9449 -0.9406 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 3 4 1 0 0 0 0 3 10 1 0 0 0 0 4 13 1 0 0 0 0 5 6 1 0 0 0 0 5 12 1 0 0 0 0 6 19 1 0 0 0 0 7 11 1 0 0 0 0 7 14 1 0 0 0 0 8 9 2 0 0 0 0 8 25 1 0 0 0 0 9 12 1 0 0 0 0 9 16 1 0 0 0 0 10 15 1 0 0 0 0 10 20 1 1 0 0 0 11 15 2 0 0 0 0 11 19 1 0 0 0 0 12 21 1 1 0 0 0 13 20 1 0 0 0 0 13 22 2 0 0 0 0 14 20 1 1 0 0 0 14 23 1 0 0 0 0 15 17 1 0 0 0 0 16 18 2 0 0 0 0 16 19 1 0 0 0 0 17 18 1 0 0 0 0 17 24 2 0 0 0 0 18 25 1 0 0 0 0 19 1 1 1 0 0 0 20 2 1 1 0 0 0 M END $$$$

External Identifiers

PubChem CID
ChEMBL	CHEMBL3582133
ZINC

Physicochemical Properties

Molecular Weight:	342.15
ALogP:	-1.0858
MLogP:	3.11
XLogP:	-0.842
# Rotatable Bonds:	4
Polar Surface Area:	87.74
# H-Bond Aceptor:	4
# H-Bond Donor:	2
# Rings:	5
# Heavy Atoms:	25

Download Data

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