NPASS Natural Product

Natural Product: NPC288290

Natural Product ID:	NPC288290
Common Name:	n.a.
IUPAC Name:
Synonyms:
Molecular Formula:	C24H32O3
Standard InCHIKey:	PQZMZRVBJLKEFN-MEWNVRQFSA-N
Standard InCHI:	InChI=1S/C24H32O3/c1-15(2)18-11-13-23(3)19-12-14-24(23,4)22(21(18)19)27-20(26)10-7-16-5-8-17(25)9-6-16/h5-10,15,18-19,21-22,25H,11-14H2,1-4H3/b10-7+/t18-,19-,21-,22+,23+,24+/m0/s1
Canonical SMILES:	O=C(O[C@@H]1[C@H]2[C@@H](CC[C@]3([C@]1(C)CC[C@@H]23)C)C(C)C)/C=C/c1ccc(cc1)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
NPO11344.1	Pilea cavaleriei	Under-species	NA	NA				PMID[19700322]

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
NPT111	Cell Line	K562	Homo sapiens	IC50	=	41.72	ug/ml	16134928

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 NPC288290 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	185
0.1-0.2	1008
0.2-0.3	1616
0.3-0.4	3174
0.4-0.5	7411
0.5-0.6	7730
0.6-0.7	8489
0.7-0.8	1198
0.8-0.85	63
0.85-0.9	13
0.9-0.95	2
0.95-1	0

Similarity Score	Similarity Level	Natural Product ID
0.9308	High Similarity	NPC476699
0.9008	High Similarity	NPC11266
0.8968	High Similarity	NPC265413
0.8968	High Similarity	NPC10154
0.8769	High Similarity	NPC30174
0.8769	High Similarity	NPC86257
0.8741	High Similarity	NPC248287
0.8741	High Similarity	NPC234548
0.8672	High Similarity	NPC474532
0.8613	High Similarity	NPC473612
0.8603	High Similarity	NPC116742
0.8603	High Similarity	NPC139243
0.8551	High Similarity	NPC35212
0.854	High Similarity	NPC470616
0.854	High Similarity	NPC470617
0.8489	Intermediate Similarity	NPC252133
0.8489	Intermediate Similarity	NPC310621
0.8462	Intermediate Similarity	NPC137416
0.8443	Intermediate Similarity	NPC139946
0.8425	Intermediate Similarity	NPC68339
0.84	Intermediate Similarity	NPC154511
0.84	Intermediate Similarity	NPC247858
0.84	Intermediate Similarity	NPC474387
0.84	Intermediate Similarity	NPC257540
0.84	Intermediate Similarity	NPC137496
0.84	Intermediate Similarity	NPC474358
0.8382	Intermediate Similarity	NPC477874
0.8382	Intermediate Similarity	NPC173569
0.8372	Intermediate Similarity	NPC478058
0.8357	Intermediate Similarity	NPC235557
0.8321	Intermediate Similarity	NPC249817
0.831	Intermediate Similarity	NPC8102
0.831	Intermediate Similarity	NPC66894
0.8309	Intermediate Similarity	NPC194970
0.8298	Intermediate Similarity	NPC26045
0.8268	Intermediate Similarity	NPC164649
0.8268	Intermediate Similarity	NPC48342
0.8261	Intermediate Similarity	NPC216940
0.8261	Intermediate Similarity	NPC475482
0.8261	Intermediate Similarity	NPC22676
0.8261	Intermediate Similarity	NPC198621
0.8239	Intermediate Similarity	NPC280717
0.8239	Intermediate Similarity	NPC235195
0.8239	Intermediate Similarity	NPC271607
0.8239	Intermediate Similarity	NPC19862
0.8217	Intermediate Similarity	NPC328504
0.8201	Intermediate Similarity	NPC182249
0.8194	Intermediate Similarity	NPC32017
0.8194	Intermediate Similarity	NPC96930
0.8189	Intermediate Similarity	NPC122117
0.8143	Intermediate Similarity	NPC473591
0.8143	Intermediate Similarity	NPC155192
0.8143	Intermediate Similarity	NPC271494
0.8138	Intermediate Similarity	NPC298647
0.8138	Intermediate Similarity	NPC292206
0.8138	Intermediate Similarity	NPC279442
0.8138	Intermediate Similarity	NPC273358
0.812	Intermediate Similarity	NPC269598
0.811	Intermediate Similarity	NPC471936
0.8085	Intermediate Similarity	NPC304110
0.8085	Intermediate Similarity	NPC472801
0.8085	Intermediate Similarity	NPC172311
0.8085	Intermediate Similarity	NPC27518
0.808	Intermediate Similarity	NPC228425
0.8074	Intermediate Similarity	NPC131684
0.8071	Intermediate Similarity	NPC76032
0.8071	Intermediate Similarity	NPC132723
0.8065	Intermediate Similarity	NPC183700
0.8042	Intermediate Similarity	NPC96447
0.8015	Intermediate Similarity	NPC142198
0.8015	Intermediate Similarity	NPC77569
0.8	Intermediate Similarity	NPC260832
0.8	Intermediate Similarity	NPC472938
0.8	Intermediate Similarity	NPC135467
0.8	Intermediate Similarity	NPC477592
0.8	Intermediate Similarity	NPC471152
0.8	Intermediate Similarity	NPC472936
0.8	Intermediate Similarity	NPC472937
0.7985	Intermediate Similarity	NPC471935
0.7985	Intermediate Similarity	NPC471929
0.7985	Intermediate Similarity	NPC471930
0.7984	Intermediate Similarity	NPC75272
0.7984	Intermediate Similarity	NPC471954
0.7972	Intermediate Similarity	NPC477873
0.7972	Intermediate Similarity	NPC469447
0.7972	Intermediate Similarity	NPC204644
0.7971	Intermediate Similarity	NPC18982
0.7971	Intermediate Similarity	NPC475457
0.7971	Intermediate Similarity	NPC475627
0.7971	Intermediate Similarity	NPC475346
0.7967	Intermediate Similarity	NPC260952
0.7961	Intermediate Similarity	NPC269668
0.7959	Intermediate Similarity	NPC208785
0.7959	Intermediate Similarity	NPC470618
0.7959	Intermediate Similarity	NPC145527
0.7959	Intermediate Similarity	NPC470619
0.7955	Intermediate Similarity	NPC121168
0.7953	Intermediate Similarity	NPC41851
0.7943	Intermediate Similarity	NPC477593
0.7939	Intermediate Similarity	NPC470849
0.7939	Intermediate Similarity	NPC470848
0.7931	Intermediate Similarity	NPC320734
0.7929	Intermediate Similarity	NPC471872
0.7929	Intermediate Similarity	NPC154485
0.7923	Intermediate Similarity	NPC258366
0.7923	Intermediate Similarity	NPC31296
0.7923	Intermediate Similarity	NPC79933
0.7923	Intermediate Similarity	NPC473974
0.7919	Intermediate Similarity	NPC205392
0.7919	Intermediate Similarity	NPC105942
0.7917	Intermediate Similarity	NPC25491
0.7914	Intermediate Similarity	NPC477594
0.7903	Intermediate Similarity	NPC470039
0.7903	Intermediate Similarity	NPC206341
0.7902	Intermediate Similarity	NPC477595
0.7883	Intermediate Similarity	NPC72915
0.7872	Intermediate Similarity	NPC170718
0.7863	Intermediate Similarity	NPC99734
0.7862	Intermediate Similarity	NPC307205
0.7862	Intermediate Similarity	NPC53520
0.7857	Intermediate Similarity	NPC322753
0.7857	Intermediate Similarity	NPC477596
0.7846	Intermediate Similarity	NPC203124
0.7846	Intermediate Similarity	NPC309434
0.7838	Intermediate Similarity	NPC472939
0.782	Intermediate Similarity	NPC321402
0.782	Intermediate Similarity	NPC297057
0.7803	Intermediate Similarity	NPC241001
0.7795	Intermediate Similarity	NPC26615
0.7794	Intermediate Similarity	NPC262936
0.7794	Intermediate Similarity	NPC30491
0.7787	Intermediate Similarity	NPC304638
0.7786	Intermediate Similarity	NPC42657
0.7786	Intermediate Similarity	NPC263386
0.7786	Intermediate Similarity	NPC141791
0.7785	Intermediate Similarity	NPC77310
0.7778	Intermediate Similarity	NPC124030
0.7778	Intermediate Similarity	NPC63345
0.777	Intermediate Similarity	NPC253591
0.777	Intermediate Similarity	NPC165612
0.7769	Intermediate Similarity	NPC477136
0.7762	Intermediate Similarity	NPC164743
0.7762	Intermediate Similarity	NPC221134
0.7754	Intermediate Similarity	NPC249425
0.7752	Intermediate Similarity	NPC147179
0.7744	Intermediate Similarity	NPC475166
0.7737	Intermediate Similarity	NPC176590
0.7734	Intermediate Similarity	NPC123175
0.7734	Intermediate Similarity	NPC176730
0.7734	Intermediate Similarity	NPC190212
0.773	Intermediate Similarity	NPC472804
0.7727	Intermediate Similarity	NPC318552
0.7727	Intermediate Similarity	NPC190501
0.7727	Intermediate Similarity	NPC478121
0.7724	Intermediate Similarity	NPC470273
0.7724	Intermediate Similarity	NPC186296
0.7718	Intermediate Similarity	NPC162569
0.7718	Intermediate Similarity	NPC267469
0.7718	Intermediate Similarity	NPC87630
0.7718	Intermediate Similarity	NPC179128
0.7718	Intermediate Similarity	NPC35160
0.7718	Intermediate Similarity	NPC116292
0.7714	Intermediate Similarity	NPC185777
0.7714	Intermediate Similarity	NPC203486
0.7708	Intermediate Similarity	NPC137501
0.7708	Intermediate Similarity	NPC159387
0.7708	Intermediate Similarity	NPC154262
0.7708	Intermediate Similarity	NPC7518
0.7703	Intermediate Similarity	NPC325032
0.7703	Intermediate Similarity	NPC477483
0.7698	Intermediate Similarity	NPC79543
0.7692	Intermediate Similarity	NPC470820
0.7692	Intermediate Similarity	NPC38893
0.7692	Intermediate Similarity	NPC219112
0.7692	Intermediate Similarity	NPC161151
0.7692	Intermediate Similarity	NPC308311
0.7692	Intermediate Similarity	NPC308828
0.7692	Intermediate Similarity	NPC477137
0.7692	Intermediate Similarity	NPC281277
0.7687	Intermediate Similarity	NPC325301
0.7687	Intermediate Similarity	NPC327070
0.7687	Intermediate Similarity	NPC208293
0.7681	Intermediate Similarity	NPC117899
0.7674	Intermediate Similarity	NPC268160
0.7671	Intermediate Similarity	NPC478264
0.7671	Intermediate Similarity	NPC251062
0.7671	Intermediate Similarity	NPC184464
0.7669	Intermediate Similarity	NPC164852
0.7669	Intermediate Similarity	NPC131868
0.7667	Intermediate Similarity	NPC261659
0.7661	Intermediate Similarity	NPC303141
0.7661	Intermediate Similarity	NPC243677
0.766	Intermediate Similarity	NPC471913
0.7658	Intermediate Similarity	NPC286809
0.7656	Intermediate Similarity	NPC228988
0.7655	Intermediate Similarity	NPC20631
0.7655	Intermediate Similarity	NPC93640
0.7651	Intermediate Similarity	NPC473719
0.7647	Intermediate Similarity	NPC275576
0.7643	Intermediate Similarity	NPC85595

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC288290 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	191
0.1-0.2	871
0.2-0.3	1211
0.3-0.4	2408
0.4-0.5	2250
0.5-0.6	1585
0.6-0.7	564
0.7-0.8	75
0.8-0.85	4
0.85-0.9	2
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.8779	High Similarity	NPD6663	Approved
0.876	High Similarity	NPD5736	Approved
0.8296	Intermediate Similarity	NPD4140	Approved
0.8268	Intermediate Similarity	NPD3091	Approved
0.8043	Intermediate Similarity	NPD6353	Approved
0.8015	Intermediate Similarity	NPD3092	Approved
0.7971	Intermediate Similarity	NPD5735	Approved
0.7895	Intermediate Similarity	NPD5327	Phase 3
0.7877	Intermediate Similarity	NPD6273	Approved
0.7863	Intermediate Similarity	NPD4059	Approved
0.7863	Intermediate Similarity	NPD3095	Discontinued
0.7817	Intermediate Similarity	NPD5762	Approved
0.7817	Intermediate Similarity	NPD5763	Approved
0.7778	Intermediate Similarity	NPD3094	Phase 2
0.7778	Intermediate Similarity	NPD8166	Discontinued
0.7727	Intermediate Similarity	NPD4626	Approved
0.7727	Intermediate Similarity	NPD2932	Approved
0.7727	Intermediate Similarity	NPD3019	Approved
0.7721	Intermediate Similarity	NPD4624	Approved
0.7652	Intermediate Similarity	NPD5691	Approved
0.7643	Intermediate Similarity	NPD3620	Phase 2
0.7643	Intermediate Similarity	NPD3619	Clinical (unspecified phase)
0.7518	Intermediate Similarity	NPD4060	Phase 1
0.7447	Intermediate Similarity	NPD8032	Phase 2
0.7432	Intermediate Similarity	NPD7236	Approved
0.7398	Intermediate Similarity	NPD3020	Approved
0.7343	Intermediate Similarity	NPD6355	Discontinued
0.7342	Intermediate Similarity	NPD8127	Discontinued
0.7323	Intermediate Similarity	NPD3134	Approved
0.731	Intermediate Similarity	NPD7743	Approved
0.731	Intermediate Similarity	NPD7742	Approved
0.7297	Intermediate Similarity	NPD7003	Approved
0.7286	Intermediate Similarity	NPD2861	Phase 2
0.7248	Intermediate Similarity	NPD7910	Clinical (unspecified phase)
0.7213	Intermediate Similarity	NPD1432	Clinical (unspecified phase)
0.7208	Intermediate Similarity	NPD7028	Phase 2
0.7194	Intermediate Similarity	NPD1283	Approved
0.719	Intermediate Similarity	NPD7239	Suspended
0.7185	Intermediate Similarity	NPD7741	Discontinued
0.7181	Intermediate Similarity	NPD4109	Clinical (unspecified phase)
0.7181	Intermediate Similarity	NPD4110	Phase 3
0.7181	Intermediate Similarity	NPD4628	Phase 3
0.7172	Intermediate Similarity	NPD6653	Approved
0.7154	Intermediate Similarity	NPD2859	Approved
0.7154	Intermediate Similarity	NPD2860	Approved
0.7153	Intermediate Similarity	NPD3496	Discontinued
0.7153	Intermediate Similarity	NPD3026	Approved
0.7153	Intermediate Similarity	NPD3023	Approved
0.7133	Intermediate Similarity	NPD3764	Approved
0.7132	Intermediate Similarity	NPD3025	Approved
0.7132	Intermediate Similarity	NPD3024	Approved
0.7124	Intermediate Similarity	NPD5699	Approved
0.7122	Intermediate Similarity	NPD3600	Clinical (unspecified phase)
0.7121	Intermediate Similarity	NPD7635	Approved
0.7121	Intermediate Similarity	NPD6858	Approved
0.7121	Intermediate Similarity	NPD7094	Approved
0.7095	Intermediate Similarity	NPD6003	Clinical (unspecified phase)
0.7095	Intermediate Similarity	NPD6002	Phase 3
0.7095	Intermediate Similarity	NPD6004	Phase 3
0.7095	Intermediate Similarity	NPD6006	Clinical (unspecified phase)
0.7095	Intermediate Similarity	NPD7266	Discontinued
0.7095	Intermediate Similarity	NPD6005	Phase 3
0.7092	Intermediate Similarity	NPD6007	Clinical (unspecified phase)
0.7073	Intermediate Similarity	NPD2934	Approved
0.7073	Intermediate Similarity	NPD2933	Approved
0.7071	Intermediate Similarity	NPD1876	Approved
0.7067	Intermediate Similarity	NPD6398	Clinical (unspecified phase)
0.7063	Intermediate Similarity	NPD7095	Approved
0.7059	Intermediate Similarity	NPD9545	Approved
0.7037	Intermediate Similarity	NPD4230	Clinical (unspecified phase)
0.7032	Intermediate Similarity	NPD7458	Discontinued
0.7029	Intermediate Similarity	NPD7457	Clinical (unspecified phase)
0.7027	Intermediate Similarity	NPD2935	Discontinued
0.7023	Intermediate Similarity	NPD3022	Approved
0.7023	Intermediate Similarity	NPD3021	Approved
0.7021	Intermediate Similarity	NPD6362	Approved
0.7021	Intermediate Similarity	NPD2797	Approved
0.7016	Intermediate Similarity	NPD1809	Phase 2
0.7015	Intermediate Similarity	NPD2629	Approved
0.7007	Intermediate Similarity	NPD5585	Approved
0.7	Intermediate Similarity	NPD1358	Approved
0.6986	Remote Similarity	NPD3657	Discovery
0.6978	Remote Similarity	NPD1281	Approved
0.6972	Remote Similarity	NPD6917	Clinical (unspecified phase)
0.6963	Remote Similarity	NPD4198	Discontinued
0.6963	Remote Similarity	NPD7157	Approved
0.696	Remote Similarity	NPD288	Approved
0.6959	Remote Similarity	NPD2799	Discontinued
0.6957	Remote Similarity	NPD1778	Approved
0.6944	Remote Similarity	NPD5952	Clinical (unspecified phase)
0.694	Remote Similarity	NPD7159	Clinical (unspecified phase)
0.6939	Remote Similarity	NPD4097	Suspended
0.6939	Remote Similarity	NPD2157	Approved
0.6929	Remote Similarity	NPD289	Clinical (unspecified phase)
0.6918	Remote Similarity	NPD2979	Phase 3
0.6917	Remote Similarity	NPD6124	Clinical (unspecified phase)
0.6897	Remote Similarity	NPD6410	Clinical (unspecified phase)
0.6892	Remote Similarity	NPD7097	Phase 1
0.6887	Remote Similarity	NPD3638	Discontinued
0.6883	Remote Similarity	NPD7004	Clinical (unspecified phase)
0.688	Remote Similarity	NPD844	Approved
0.6866	Remote Similarity	NPD5535	Approved
0.6857	Remote Similarity	NPD5351	Clinical (unspecified phase)
0.6857	Remote Similarity	NPD5350	Clinical (unspecified phase)
0.6857	Remote Similarity	NPD422	Phase 1
0.6855	Remote Similarity	NPD845	Approved
0.6855	Remote Similarity	NPD5761	Phase 2
0.6855	Remote Similarity	NPD5760	Phase 2
0.6853	Remote Similarity	NPD5647	Approved
0.6838	Remote Similarity	NPD6671	Approved
0.6835	Remote Similarity	NPD1751	Approved
0.6831	Remote Similarity	NPD6696	Suspended
0.6828	Remote Similarity	NPD7008	Discontinued
0.6824	Remote Similarity	NPD4579	Clinical (unspecified phase)
0.6822	Remote Similarity	NPD6647	Phase 2
0.6815	Remote Similarity	NPD5808	Clinical (unspecified phase)
0.6809	Remote Similarity	NPD3972	Approved
0.68	Remote Similarity	NPD4477	Approved
0.68	Remote Similarity	NPD4476	Approved
0.68	Remote Similarity	NPD2438	Suspended
0.6792	Remote Similarity	NPD5714	Approved
0.6788	Remote Similarity	NPD9493	Approved
0.6786	Remote Similarity	NPD3847	Discontinued
0.6784	Remote Similarity	NPD8055	Clinical (unspecified phase)
0.6783	Remote Similarity	NPD1164	Approved
0.6781	Remote Similarity	NPD6798	Discontinued
0.6781	Remote Similarity	NPD3268	Approved
0.6781	Remote Similarity	NPD4907	Clinical (unspecified phase)
0.6776	Remote Similarity	NPD7421	Clinical (unspecified phase)
0.677	Remote Similarity	NPD7057	Phase 3
0.677	Remote Similarity	NPD7058	Phase 2
0.6767	Remote Similarity	NPD4750	Phase 3
0.6765	Remote Similarity	NPD5951	Approved
0.6763	Remote Similarity	NPD4196	Clinical (unspecified phase)
0.6763	Remote Similarity	NPD1651	Approved
0.6761	Remote Similarity	NPD4379	Clinical (unspecified phase)
0.6761	Remote Similarity	NPD4359	Approved
0.6759	Remote Similarity	NPD4908	Phase 1
0.6757	Remote Similarity	NPD5124	Phase 1
0.6757	Remote Similarity	NPD5123	Clinical (unspecified phase)
0.6755	Remote Similarity	NPD2343	Clinical (unspecified phase)
0.6753	Remote Similarity	NPD6667	Approved
0.6753	Remote Similarity	NPD6666	Approved
0.6746	Remote Similarity	NPD6765	Approved
0.6746	Remote Similarity	NPD6764	Approved
0.6742	Remote Similarity	NPD2342	Discontinued
0.6738	Remote Similarity	NPD1611	Approved
0.6738	Remote Similarity	NPD1610	Phase 2
0.6736	Remote Similarity	NPD5740	Clinical (unspecified phase)
0.6736	Remote Similarity	NPD6085	Phase 2
0.6731	Remote Similarity	NPD7314	Clinical (unspecified phase)
0.6716	Remote Similarity	NPD2181	Clinical (unspecified phase)
0.6711	Remote Similarity	NPD5958	Discontinued
0.6711	Remote Similarity	NPD4534	Discontinued
0.6692	Remote Similarity	NPD5738	Clinical (unspecified phase)
0.6692	Remote Similarity	NPD6831	Clinical (unspecified phase)
0.6692	Remote Similarity	NPD2684	Approved
0.6691	Remote Similarity	NPD2228	Approved
0.6691	Remote Similarity	NPD5283	Phase 1
0.6691	Remote Similarity	NPD2234	Approved
0.6691	Remote Similarity	NPD2229	Approved
0.6691	Remote Similarity	NPD1894	Discontinued
0.669	Remote Similarity	NPD2230	Approved
0.669	Remote Similarity	NPD4208	Discontinued
0.669	Remote Similarity	NPD2233	Approved
0.669	Remote Similarity	NPD1608	Approved
0.669	Remote Similarity	NPD2232	Approved
0.6689	Remote Similarity	NPD6100	Approved
0.6689	Remote Similarity	NPD5408	Approved
0.6689	Remote Similarity	NPD2531	Phase 2
0.6689	Remote Similarity	NPD5404	Approved
0.6689	Remote Similarity	NPD5405	Approved
0.6689	Remote Similarity	NPD6099	Approved
0.6689	Remote Similarity	NPD5406	Approved
0.6688	Remote Similarity	NPD8131	Suspended
0.6687	Remote Similarity	NPD6234	Discontinued
0.6667	Remote Similarity	NPD5713	Approved
0.6667	Remote Similarity	NPD4966	Approved
0.6667	Remote Similarity	NPD4967	Phase 2
0.6667	Remote Similarity	NPD7315	Approved
0.6667	Remote Similarity	NPD7446	Clinical (unspecified phase)
0.6667	Remote Similarity	NPD4965	Approved
0.6667	Remote Similarity	NPD6685	Approved
0.6667	Remote Similarity	NPD6859	Clinical (unspecified phase)
0.6646	Remote Similarity	NPD7819	Suspended
0.6645	Remote Similarity	NPD2346	Discontinued
0.6643	Remote Similarity	NPD4093	Discontinued
0.6643	Remote Similarity	NPD1357	Approved
0.6642	Remote Similarity	NPD1792	Phase 2
0.6641	Remote Similarity	NPD5909	Discontinued
0.6626	Remote Similarity	NPD7832	Clinical (unspecified phase)
0.6626	Remote Similarity	NPD7831	Phase 2
0.6626	Remote Similarity	NPD7833	Phase 2
0.6623	Remote Similarity	NPD7305	Phase 1
0.6623	Remote Similarity	NPD7033	Discontinued
0.6623	Remote Similarity	NPD3750	Approved
0.6622	Remote Similarity	NPD4248	Discontinued
0.6622	Remote Similarity	NPD4870	Approved
0.6622	Remote Similarity	NPD7961	Discontinued
0.6621	Remote Similarity	NPD6584	Phase 3

Structure

NPC288290 OpenBabel07101718322D 27 30 0 0 1 0 0 0 0 0999 V2000 2.6737 -1.4721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1391 0.1963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5531 -0.9340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9537 -0.3008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7635 -0.4045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6295 -1.9045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8974 -1.9045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6295 0.0955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4955 -1.4045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0314 -1.4045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2884 -0.4045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6581 1.4781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0549 -0.3394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2079 0.9781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4248 -0.5035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7635 -1.4045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4955 -0.4045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4616 -0.2348 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4013 0.8090 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.1654 -1.9045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4013 -0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7006 -0.4045 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.9945 -0.1045 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.3615 0.0955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1654 -2.9045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7006 -1.4045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 2 15 1 0 0 0 0 3 23 1 0 0 0 0 4 24 1 0 0 0 0 5 8 1 0 0 0 0 5 16 2 0 0 0 0 6 9 2 0 0 0 0 6 16 1 0 0 0 0 7 10 2 0 0 0 0 7 16 1 0 0 0 0 8 17 2 0 0 0 0 9 17 1 0 0 0 0 10 20 1 0 0 0 0 11 13 1 0 0 0 0 11 18 1 0 0 0 0 12 14 1 0 0 0 0 12 19 1 0 0 0 0 13 23 1 0 0 0 0 14 24 1 0 0 0 0 17 25 1 0 0 0 0 18 15 1 6 0 0 0 18 21 1 0 0 0 0 19 21 1 0 0 0 0 19 23 1 6 0 0 0 20 26 2 0 0 0 0 20 27 1 0 0 0 0 21 22 1 0 0 0 0 22 24 1 0 0 0 0 22 27 1 0 0 0 0 23 24 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	45483046
ChEMBL	CHEMBL566735
ZINC

Physicochemical Properties

Molecular Weight:	368.24
ALogP:	0.8661
MLogP:	3.77
XLogP:	7.551
# Rotatable Bonds:	10
Polar Surface Area:	46.53
# H-Bond Aceptor:	2
# H-Bond Donor:	1
# Rings:	4
# Heavy Atoms:	27

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