NPASS Natural Product

Natural Product: NPC475967

Natural Product ID:	NPC475967
Common Name:	Fibrauretin B
IUPAC Name:
Synonyms:	Fibrauretin B
Molecular Formula:	C19H22O7
Standard InCHIKey:	UFAJMVOQMWLVQE-KFNPIGITSA-N
Standard InCHI:	InChI=1S/C19H22O7/c1-18-7-14(9-4-5-24-8-9)25-16(21)11(18)3-2-10-12(18)6-13-15(20)19(10,23)17(22)26-13/h4-5,8,10-15,20,23H,2-3,6-7H2,1H3/t10-,11-,12-,13+,14+,15-,18-,19+/m1/s1
Canonical SMILES:	O=C1O[C@@H](C[C@@]2([C@@H]1CC[C@@H]1[C@H]2C[C@H]2[C@H]([C@]1(O)C(=O)O2)O)C)c1cocc1
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
NPO10715	Fibraurea tinctoria	Species	Menispermaceae	Eukaryota				PMID[18829331]

Biological Activity

Activity Type	# Activity
Others	12

Activity Type	# Activity
Organism	12

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT32	Organism	Mus musculus	Mus musculus	Activity	=	24.03	%	22863526
NPT32	Organism	Mus musculus	Mus musculus	Activity	=	23.43	%	22863526
NPT32	Organism	Mus musculus	Mus musculus	Activity	=	19.17	%	22863526
NPT32	Organism	Mus musculus	Mus musculus	Activity	=	11.45	%	22863526
NPT32	Organism	Mus musculus	Mus musculus	Activity	=	15.21	%	22863526
NPT32	Organism	Mus musculus	Mus musculus	Activity	=	16.73	%	22863526
NPT32	Organism	Mus musculus	Mus musculus	Activity	=	14	%	22863526
NPT32	Organism	Mus musculus	Mus musculus	Activity	=	20.1	%	22863526
NPT32	Organism	Mus musculus	Mus musculus	Activity	=	28.34	%	22863526
NPT32	Organism	Mus musculus	Mus musculus	Activity	=	26.73	%	22746380
NPT32	Organism	Mus musculus	Mus musculus	Activity	=	17.69	%	PubChem BioAssay data set
NPT32	Organism	Mus musculus	Mus musculus	Activity	=	18.16	%	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 NPC475967 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	241
0.1-0.2	939
0.2-0.3	2157
0.3-0.4	3499
0.4-0.5	6518
0.5-0.6	7022
0.6-0.7	5970
0.7-0.8	4134
0.8-0.85	144
0.85-0.9	176
0.9-0.95	82
0.95-1	7

Similarity Score	Similarity Level	Natural Product ID
0.9669	High Similarity	NPC299038
0.9669	High Similarity	NPC261597
0.9667	High Similarity	NPC44675
0.9667	High Similarity	NPC214541
0.9551	High Similarity	NPC271235
0.9539	High Similarity	NPC36655
0.9539	High Similarity	NPC187149
0.9487	High Similarity	NPC472651
0.9427	High Similarity	NPC472652
0.9367	High Similarity	NPC82602
0.9363	High Similarity	NPC472775
0.9363	High Similarity	NPC472774
0.9359	High Similarity	NPC276551
0.9359	High Similarity	NPC271657
0.9355	High Similarity	NPC200782
0.9355	High Similarity	NPC18347
0.9355	High Similarity	NPC149896
0.9355	High Similarity	NPC82851
0.9304	High Similarity	NPC471397
0.9299	High Similarity	NPC470875
0.9295	High Similarity	NPC134254
0.9295	High Similarity	NPC302369
0.9295	High Similarity	NPC469338
0.9295	High Similarity	NPC292389
0.9295	High Similarity	NPC472773
0.9295	High Similarity	NPC477405
0.9295	High Similarity	NPC39986
0.929	High Similarity	NPC335761
0.929	High Similarity	NPC472653
0.9286	High Similarity	NPC472776
0.9286	High Similarity	NPC45101
0.9286	High Similarity	NPC472777
0.9286	High Similarity	NPC472778
0.9276	High Similarity	NPC268905
0.9241	High Similarity	NPC173516
0.9241	High Similarity	NPC476850
0.9241	High Similarity	NPC476861
0.9236	High Similarity	NPC469849
0.9236	High Similarity	NPC123088
0.9236	High Similarity	NPC470940
0.9231	High Similarity	NPC69028
0.9231	High Similarity	NPC472771
0.9231	High Similarity	NPC5079
0.9216	High Similarity	NPC57998
0.9205	High Similarity	NPC195325
0.9205	High Similarity	NPC125182
0.9205	High Similarity	NPC69647
0.9187	High Similarity	NPC160818
0.9187	High Similarity	NPC169299
0.9182	High Similarity	NPC160651
0.9177	High Similarity	NPC472141
0.9172	High Similarity	NPC234660
0.9172	High Similarity	NPC51568
0.9172	High Similarity	NPC469846
0.9172	High Similarity	NPC472139
0.9167	High Similarity	NPC477402
0.9161	High Similarity	NPC249021
0.915	High Similarity	NPC476201
0.915	High Similarity	NPC469503
0.9125	High Similarity	NPC470995
0.9119	High Similarity	NPC472282
0.9114	High Similarity	NPC476856
0.9114	High Similarity	NPC470182
0.9114	High Similarity	NPC476857
0.9114	High Similarity	NPC476858
0.9108	High Similarity	NPC117986
0.9108	High Similarity	NPC263432
0.9108	High Similarity	NPC329938
0.9103	High Similarity	NPC475226
0.9091	High Similarity	NPC282445
0.9085	High Similarity	NPC18135
0.9085	High Similarity	NPC470938
0.9073	High Similarity	NPC255414
0.9073	High Similarity	NPC250228
0.9057	High Similarity	NPC23387
0.9057	High Similarity	NPC93172
0.9057	High Similarity	NPC97574
0.9051	High Similarity	NPC283209
0.9045	High Similarity	NPC470789
0.9045	High Similarity	NPC25255
0.9038	High Similarity	NPC472772
0.9032	High Similarity	NPC476262
0.9032	High Similarity	NPC264943
0.9026	High Similarity	NPC44577
0.9026	High Similarity	NPC75906
0.9007	High Similarity	NPC346
0.9	High Similarity	NPC476944
0.9	High Similarity	NPC251865
0.9	High Similarity	NPC476853
0.8994	High Similarity	NPC476860
0.8987	High Similarity	NPC470792
0.8987	High Similarity	NPC188649
0.8987	High Similarity	NPC18986
0.8987	High Similarity	NPC193798
0.8981	High Similarity	NPC477403
0.8974	High Similarity	NPC126723
0.8974	High Similarity	NPC107646
0.8974	High Similarity	NPC209364
0.8968	High Similarity	NPC34421
0.8968	High Similarity	NPC98206
0.8968	High Similarity	NPC237259
0.8968	High Similarity	NPC178932
0.8957	High Similarity	NPC236004
0.8957	High Similarity	NPC94763
0.8954	High Similarity	NPC472654
0.8947	High Similarity	NPC221809
0.894	High Similarity	NPC5676
0.8938	High Similarity	NPC121995
0.8933	High Similarity	NPC243577
0.8931	High Similarity	NPC285567
0.8931	High Similarity	NPC288602
0.8931	High Similarity	NPC88841
0.8924	High Similarity	NPC305016
0.8917	High Similarity	NPC167142
0.8917	High Similarity	NPC286722
0.8917	High Similarity	NPC194499
0.891	High Similarity	NPC469336
0.891	High Similarity	NPC296807
0.891	High Similarity	NPC141538
0.891	High Similarity	NPC155939
0.8902	High Similarity	NPC262386
0.8896	High Similarity	NPC476122
0.8882	High Similarity	NPC100333
0.8874	High Similarity	NPC137295
0.8868	High Similarity	NPC96443
0.8868	High Similarity	NPC207978
0.8868	High Similarity	NPC211777
0.8868	High Similarity	NPC470939
0.8868	High Similarity	NPC290400
0.8861	High Similarity	NPC307383
0.8861	High Similarity	NPC475295
0.8861	High Similarity	NPC473473
0.8861	High Similarity	NPC472671
0.8854	High Similarity	NPC60973
0.8854	High Similarity	NPC469485
0.8854	High Similarity	NPC263265
0.8848	High Similarity	NPC478177
0.8848	High Similarity	NPC472665
0.8846	High Similarity	NPC253201
0.8846	High Similarity	NPC302054
0.8841	High Similarity	NPC471437
0.8834	High Similarity	NPC285227
0.8827	High Similarity	NPC472765
0.8827	High Similarity	NPC472766
0.8827	High Similarity	NPC296558
0.8812	High Similarity	NPC663
0.8812	High Similarity	NPC419
0.8812	High Similarity	NPC198047
0.8812	High Similarity	NPC224394
0.8808	High Similarity	NPC476946
0.8805	High Similarity	NPC475381
0.8805	High Similarity	NPC191828
0.8805	High Similarity	NPC287559
0.8797	High Similarity	NPC173544
0.8797	High Similarity	NPC470119
0.8797	High Similarity	NPC472283
0.8797	High Similarity	NPC475066
0.8797	High Similarity	NPC88007
0.8797	High Similarity	NPC304692
0.8797	High Similarity	NPC214495
0.879	High Similarity	NPC92979
0.879	High Similarity	NPC281258
0.879	High Similarity	NPC35000
0.8782	High Similarity	NPC472672
0.8782	High Similarity	NPC476940
0.8782	High Similarity	NPC147168
0.8782	High Similarity	NPC33938
0.8782	High Similarity	NPC476939
0.8774	High Similarity	NPC477404
0.8774	High Similarity	NPC470997
0.8774	High Similarity	NPC196864
0.8765	High Similarity	NPC472764
0.875	High Similarity	NPC68848
0.8742	High Similarity	NPC474611
0.8742	High Similarity	NPC237155
0.8742	High Similarity	NPC121158
0.8734	High Similarity	NPC104736
0.8727	High Similarity	NPC469576
0.8726	High Similarity	NPC30222
0.872	High Similarity	NPC159232
0.872	High Similarity	NPC475641
0.872	High Similarity	NPC294512
0.872	High Similarity	NPC475237
0.8712	High Similarity	NPC327922
0.871	High Similarity	NPC211625
0.871	High Similarity	NPC234494
0.8704	High Similarity	NPC214600
0.8704	High Similarity	NPC478178
0.8704	High Similarity	NPC475779
0.8701	High Similarity	NPC470941
0.8698	High Similarity	NPC242068
0.8698	High Similarity	NPC247563
0.8698	High Similarity	NPC105395
0.8696	High Similarity	NPC476197
0.8696	High Similarity	NPC165218
0.8693	High Similarity	NPC41182
0.8684	High Similarity	NPC223415
0.8679	High Similarity	NPC197137
0.8679	High Similarity	NPC470118
0.8679	High Similarity	NPC195954

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC475967 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	246
0.1-0.2	817
0.2-0.3	1960
0.3-0.4	2619
0.4-0.5	2036
0.5-0.6	1032
0.6-0.7	367
0.7-0.8	80
0.8-0.85	1
0.85-0.9	3
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.8671	High Similarity	NPD5761	Phase 2
0.8671	High Similarity	NPD5760	Phase 2
0.8529	High Similarity	NPD8434	Phase 2
0.8012	Intermediate Similarity	NPD5537	Clinical (unspecified phase)
0.7919	Intermediate Similarity	NPD6764	Approved
0.7919	Intermediate Similarity	NPD6765	Approved
0.7771	Intermediate Similarity	NPD7096	Clinical (unspecified phase)
0.774	Intermediate Similarity	NPD6784	Approved
0.774	Intermediate Similarity	NPD6785	Approved
0.7697	Intermediate Similarity	NPD6599	Discontinued
0.7688	Intermediate Similarity	NPD4628	Phase 3
0.7633	Intermediate Similarity	NPD7075	Discontinued
0.7614	Intermediate Similarity	NPD6559	Discontinued
0.75	Intermediate Similarity	NPD6801	Discontinued
0.7456	Intermediate Similarity	NPD7819	Suspended
0.7444	Intermediate Similarity	NPD8055	Clinical (unspecified phase)
0.7443	Intermediate Similarity	NPD5844	Phase 1
0.7442	Intermediate Similarity	NPD5494	Approved
0.7439	Intermediate Similarity	NPD6799	Approved
0.7412	Intermediate Similarity	NPD3817	Phase 2
0.7398	Intermediate Similarity	NPD8404	Phase 2
0.7384	Intermediate Similarity	NPD919	Approved
0.7368	Intermediate Similarity	NPD4868	Clinical (unspecified phase)
0.7368	Intermediate Similarity	NPD3882	Suspended
0.7353	Intermediate Similarity	NPD2393	Clinical (unspecified phase)
0.7337	Intermediate Similarity	NPD7879	Clinical (unspecified phase)
0.7326	Intermediate Similarity	NPD3749	Approved
0.731	Intermediate Similarity	NPD5402	Approved
0.7305	Intermediate Similarity	NPD920	Approved
0.7294	Intermediate Similarity	NPD1934	Approved
0.7289	Intermediate Similarity	NPD7004	Clinical (unspecified phase)
0.7288	Intermediate Similarity	NPD3818	Discontinued
0.7278	Intermediate Similarity	NPD4380	Phase 2
0.7273	Intermediate Similarity	NPD6167	Clinical (unspecified phase)
0.7273	Intermediate Similarity	NPD6166	Phase 2
0.7273	Intermediate Similarity	NPD6168	Clinical (unspecified phase)
0.7267	Intermediate Similarity	NPD4965	Approved
0.7267	Intermediate Similarity	NPD4967	Phase 2
0.7267	Intermediate Similarity	NPD4966	Approved
0.7225	Intermediate Similarity	NPD4381	Clinical (unspecified phase)
0.7202	Intermediate Similarity	NPD5403	Approved
0.72	Intermediate Similarity	NPD1247	Approved
0.7191	Intermediate Similarity	NPD3751	Discontinued
0.7186	Intermediate Similarity	NPD2533	Approved
0.7186	Intermediate Similarity	NPD5401	Approved
0.7186	Intermediate Similarity	NPD2534	Approved
0.7186	Intermediate Similarity	NPD642	Clinical (unspecified phase)
0.7186	Intermediate Similarity	NPD4378	Clinical (unspecified phase)
0.7186	Intermediate Similarity	NPD2532	Approved
0.7184	Intermediate Similarity	NPD6234	Discontinued
0.7182	Intermediate Similarity	NPD4338	Clinical (unspecified phase)
0.7178	Intermediate Similarity	NPD2343	Clinical (unspecified phase)
0.7167	Intermediate Similarity	NPD7993	Clinical (unspecified phase)
0.7159	Intermediate Similarity	NPD6232	Discontinued
0.7159	Intermediate Similarity	NPD3787	Discontinued
0.7152	Intermediate Similarity	NPD6398	Clinical (unspecified phase)
0.7151	Intermediate Similarity	NPD7804	Clinical (unspecified phase)
0.7143	Intermediate Similarity	NPD6273	Approved
0.7135	Intermediate Similarity	NPD7411	Suspended
0.7135	Intermediate Similarity	NPD7473	Discontinued
0.712	Intermediate Similarity	NPD8150	Discontinued
0.7119	Intermediate Similarity	NPD7184	Clinical (unspecified phase)
0.7102	Intermediate Similarity	NPD8127	Discontinued
0.7102	Intermediate Similarity	NPD7199	Phase 2
0.7095	Intermediate Similarity	NPD7228	Approved
0.7093	Intermediate Similarity	NPD37	Approved
0.7073	Intermediate Similarity	NPD1471	Phase 3
0.7073	Intermediate Similarity	NPD2346	Discontinued
0.7072	Intermediate Similarity	NPD6797	Phase 2
0.7066	Intermediate Similarity	NPD643	Clinical (unspecified phase)
0.7052	Intermediate Similarity	NPD2801	Approved
0.7049	Intermediate Similarity	NPD8312	Approved
0.7049	Intermediate Similarity	NPD8313	Approved
0.7033	Intermediate Similarity	NPD7251	Discontinued
0.703	Intermediate Similarity	NPD1549	Phase 2
0.7022	Intermediate Similarity	NPD3926	Phase 2
0.7018	Intermediate Similarity	NPD3226	Approved
0.7018	Intermediate Similarity	NPD5808	Clinical (unspecified phase)
0.7017	Intermediate Similarity	NPD7074	Phase 3
0.7012	Intermediate Similarity	NPD2796	Approved
0.7012	Intermediate Similarity	NPD1551	Phase 2
0.7011	Intermediate Similarity	NPD8443	Clinical (unspecified phase)
0.7011	Intermediate Similarity	NPD8407	Phase 2
0.7	Intermediate Similarity	NPD7799	Discontinued
0.6995	Remote Similarity	NPD7808	Phase 3
0.6988	Remote Similarity	NPD7421	Clinical (unspecified phase)
0.6975	Remote Similarity	NPD6355	Discontinued
0.697	Remote Similarity	NPD1552	Clinical (unspecified phase)
0.697	Remote Similarity	NPD1550	Clinical (unspecified phase)
0.6964	Remote Similarity	NPD7236	Approved
0.6961	Remote Similarity	NPD7054	Approved
0.6959	Remote Similarity	NPD7435	Discontinued
0.6954	Remote Similarity	NPD1465	Phase 2
0.6951	Remote Similarity	NPD2799	Discontinued
0.6951	Remote Similarity	NPD7033	Discontinued
0.6941	Remote Similarity	NPD1512	Approved
0.694	Remote Similarity	NPD7240	Approved
0.694	Remote Similarity	NPD8368	Discontinued
0.6928	Remote Similarity	NPD970	Clinical (unspecified phase)
0.6923	Remote Similarity	NPD7472	Approved
0.691	Remote Similarity	NPD6959	Discontinued
0.6909	Remote Similarity	NPD6099	Approved
0.6909	Remote Similarity	NPD6100	Approved
0.6905	Remote Similarity	NPD6190	Approved
0.6897	Remote Similarity	NPD4665	Approved
0.6897	Remote Similarity	NPD4111	Phase 1
0.6891	Remote Similarity	NPD6779	Approved
0.6891	Remote Similarity	NPD6782	Approved
0.6891	Remote Similarity	NPD6781	Approved
0.6891	Remote Similarity	NPD6780	Approved
0.6891	Remote Similarity	NPD6778	Approved
0.6891	Remote Similarity	NPD6777	Approved
0.6891	Remote Similarity	NPD6776	Approved
0.6889	Remote Similarity	NPD7852	Clinical (unspecified phase)
0.6886	Remote Similarity	NPD1243	Approved
0.6886	Remote Similarity	NPD2800	Approved
0.6875	Remote Similarity	NPD7768	Phase 2
0.6872	Remote Similarity	NPD7497	Discontinued
0.6867	Remote Similarity	NPD5763	Approved
0.6867	Remote Similarity	NPD5762	Approved
0.6848	Remote Similarity	NPD7685	Pre-registration
0.6845	Remote Similarity	NPD3750	Approved
0.6824	Remote Similarity	NPD6143	Clinical (unspecified phase)
0.6824	Remote Similarity	NPD1511	Approved
0.6821	Remote Similarity	NPD7458	Discontinued
0.6807	Remote Similarity	NPD2935	Discontinued
0.6802	Remote Similarity	NPD6980	Clinical (unspecified phase)
0.679	Remote Similarity	NPD2313	Discontinued
0.679	Remote Similarity	NPD6859	Clinical (unspecified phase)
0.679	Remote Similarity	NPD6798	Discontinued
0.6784	Remote Similarity	NPD7410	Clinical (unspecified phase)
0.6778	Remote Similarity	NPD5710	Approved
0.6778	Remote Similarity	NPD5711	Approved
0.6778	Remote Similarity	NPD7229	Phase 3
0.6768	Remote Similarity	NPD447	Suspended
0.6766	Remote Similarity	NPD6005	Phase 3
0.6766	Remote Similarity	NPD6003	Clinical (unspecified phase)
0.6766	Remote Similarity	NPD6006	Clinical (unspecified phase)
0.6766	Remote Similarity	NPD6002	Phase 3
0.6766	Remote Similarity	NPD2344	Approved
0.6766	Remote Similarity	NPD6004	Phase 3
0.6763	Remote Similarity	NPD5619	Clinical (unspecified phase)
0.6763	Remote Similarity	NPD7239	Suspended
0.675	Remote Similarity	NPD7874	Approved
0.675	Remote Similarity	NPD7875	Clinical (unspecified phase)
0.6748	Remote Similarity	NPD7907	Approved
0.6748	Remote Similarity	NPD6233	Phase 2
0.6747	Remote Similarity	NPD3748	Approved
0.6747	Remote Similarity	NPD1510	Phase 2
0.6746	Remote Similarity	NPD4109	Clinical (unspecified phase)
0.6746	Remote Similarity	NPD4110	Phase 3
0.6735	Remote Similarity	NPD3057	Approved
0.6728	Remote Similarity	NPD7095	Approved
0.6721	Remote Similarity	NPD7893	Clinical (unspecified phase)
0.6718	Remote Similarity	NPD4107	Approved
0.6709	Remote Similarity	NPD1608	Approved
0.6707	Remote Similarity	NPD7966	Clinical (unspecified phase)
0.6701	Remote Similarity	NPD7697	Approved
0.6701	Remote Similarity	NPD7698	Approved
0.6701	Remote Similarity	NPD7696	Phase 3
0.6687	Remote Similarity	NPD3764	Approved
0.6685	Remote Similarity	NPD8470	Clinical (unspecified phase)
0.6684	Remote Similarity	NPD8360	Approved
0.6684	Remote Similarity	NPD8435	Approved
0.6684	Remote Similarity	NPD8397	Clinical (unspecified phase)
0.6684	Remote Similarity	NPD8361	Approved
0.6667	Remote Similarity	NPD8319	Approved
0.6667	Remote Similarity	NPD1933	Approved
0.6667	Remote Similarity	NPD6832	Phase 2
0.6667	Remote Similarity	NPD230	Phase 1
0.6667	Remote Similarity	NPD8455	Phase 2
0.6667	Remote Similarity	NPD7871	Phase 2
0.6667	Remote Similarity	NPD7870	Phase 2
0.6667	Remote Similarity	NPD8320	Phase 1
0.665	Remote Similarity	NPD7701	Phase 2
0.665	Remote Similarity	NPD3533	Approved
0.665	Remote Similarity	NPD2972	Approved
0.6647	Remote Similarity	NPD4308	Phase 3
0.6647	Remote Similarity	NPD1878	Clinical (unspecified phase)
0.6647	Remote Similarity	NPD7003	Approved
0.6634	Remote Similarity	NPD7801	Approved
0.6632	Remote Similarity	NPD6534	Approved
0.6632	Remote Similarity	NPD6535	Approved
0.6627	Remote Similarity	NPD1607	Approved
0.6627	Remote Similarity	NPD2424	Discontinued
0.6612	Remote Similarity	NPD2403	Approved
0.6612	Remote Similarity	NPD4575	Clinical (unspecified phase)
0.6608	Remote Similarity	NPD3887	Approved
0.6608	Remote Similarity	NPD2354	Approved
0.6608	Remote Similarity	NPD2309	Approved
0.6606	Remote Similarity	NPD1240	Approved
0.6606	Remote Similarity	NPD4140	Approved
0.6606	Remote Similarity	NPD4060	Phase 1
0.6599	Remote Similarity	NPD4482	Phase 3
0.6587	Remote Similarity	NPD7097	Phase 1
0.6585	Remote Similarity	NPD1699	Clinical (unspecified phase)
0.6585	Remote Similarity	NPD3268	Approved
0.6584	Remote Similarity	NPD2797	Approved
0.6566	Remote Similarity	NPD5124	Phase 1
0.6566	Remote Similarity	NPD5123	Clinical (unspecified phase)

Structure

NPC475967 OpenBabel07101718312D 26 30 0 0 1 0 0 0 0 0999 V2000 -1.2990 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4330 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4330 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0016 -0.2445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9798 -0.4524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4330 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1651 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8107 1.1567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8971 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4330 1.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.2990 2.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.4330 0.7500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4330 -0.7500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.0311 1.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2990 -0.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.1651 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4330 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2990 1.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2990 0.7500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1651 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1651 3.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0670 1.6160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2598 1.0274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4798 0.4136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0311 2.2500 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 2 3 1 0 0 0 0 2 10 1 0 0 0 0 3 11 1 0 0 0 0 4 5 2 0 0 0 0 4 9 1 0 0 0 0 5 24 1 0 0 0 0 6 12 1 0 0 0 0 7 14 1 0 0 0 0 7 18 1 0 0 0 0 8 9 2 0 0 0 0 8 24 1 0 0 0 0 10 12 1 0 0 0 0 10 19 1 1 0 0 0 11 16 1 0 0 0 0 11 18 1 1 0 0 0 12 18 1 1 0 0 0 13 6 1 6 0 0 0 13 15 1 0 0 0 0 13 26 1 0 0 0 0 14 9 1 1 0 0 0 14 25 1 0 0 0 0 15 19 1 6 0 0 0 15 20 1 0 0 0 0 16 21 2 0 0 0 0 16 25 1 0 0 0 0 17 19 1 0 0 0 0 17 22 2 0 0 0 0 17 26 1 0 0 0 0 18 1 1 1 0 0 0 19 23 1 1 0 0 0 M END $$$$

External Identifiers

PubChem CID	44588976
ChEMBL	CHEMBL519851
ZINC

Physicochemical Properties

Molecular Weight:	362.14
ALogP:	-1.0767
MLogP:	2.78
XLogP:	1.376
# Rotatable Bonds:	4
Polar Surface Area:	106.2
# H-Bond Aceptor:	6
# H-Bond Donor:	2
# Rings:	5
# Heavy Atoms:	26

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