NPASS Natural Product

Natural Product: NPC18380

Natural Product ID:	NPC18380
Common Name:	Ohioensin C
IUPAC Name:
Synonyms:	Ohioensin C
Molecular Formula:	C24H18O5
Standard InCHIKey:	ZVFNSNHXUYAPTP-VVTWNTARSA-N
Standard InCHI:	InChI=1S/C24H18O5/c1-28-18-10-16(27)21-15(26)9-13-11-5-2-3-8-17(11)29-24-12-6-4-7-14(25)19(12)22(18)23(21)20(13)24/h2-8,10,13,20,24-25,27H,9H2,1H3/t13-,20+,24+/m1/s1
Canonical SMILES:	COc1cc(O)c2c3c1c1c(O)cccc1[C@H]1[C@H]3[C@H](CC2=O)c2c(O1)cccc2
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
NPO15696	Polytrichastrum alpinum	Species	Polytrichaceae	Eukaryota				PMID[18053716]
NPO3518	Polytrichum ohioense	Species	Polytrichaceae	Eukaryota				TCMID*

Biological Activity

Activity Type	# Activity
ED50	5
IC50	1

Activity Type	# Activity
Cell Line	3
Individual Protein	1
Others	2

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT178	Individual Protein	Protein-tyrosine phosphatase 1B	Homo sapiens	IC50	=	7600	nM	18053716
NPT2	Others	Unspecified		ED50	>	10	ug/ml	2189947
NPT81	Cell Line	A549	Homo sapiens	ED50	>	10	ug/ml	2189947
NPT139	Cell Line	HT-29	Homo sapiens	ED50	=	4	ug/ml	2189947
NPT2	Others	Unspecified		ED50	=	10	ug/ml	2189947
NPT83	Cell Line	MCF7	Homo sapiens	ED50	=	3	ug/ml	2189947

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 NPC18380 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	327
0.1-0.2	1219
0.2-0.3	2151
0.3-0.4	5167
0.4-0.5	7760
0.5-0.6	2988
0.6-0.7	3889
0.7-0.8	4119
0.8-0.85	2093
0.85-0.9	1019
0.9-0.95	149
0.95-1	8

Similarity Score	Similarity Level	Natural Product ID
0.9934	High Similarity	NPC292863
0.9934	High Similarity	NPC184326
0.9869	High Similarity	NPC137232
0.9868	High Similarity	NPC195167
0.9742	High Similarity	NPC290160
0.962	High Similarity	NPC300307
0.9551	High Similarity	NPC15374
0.95	High Similarity	NPC4200
0.9412	High Similarity	NPC87708
0.9363	High Similarity	NPC312273
0.9363	High Similarity	NPC301256
0.9359	High Similarity	NPC51760
0.9346	High Similarity	NPC232645
0.9346	High Similarity	NPC72958
0.9308	High Similarity	NPC469664
0.9304	High Similarity	NPC473012
0.9299	High Similarity	NPC186325
0.9295	High Similarity	NPC475184
0.929	High Similarity	NPC134171
0.929	High Similarity	NPC66441
0.929	High Similarity	NPC182555
0.929	High Similarity	NPC300668
0.9276	High Similarity	NPC35150
0.9276	High Similarity	NPC106328
0.925	High Similarity	NPC251336
0.9245	High Similarity	NPC473009
0.9241	High Similarity	NPC189552
0.9241	High Similarity	NPC273467
0.9236	High Similarity	NPC105584
0.9236	High Similarity	NPC472617
0.9236	High Similarity	NPC55443
0.9236	High Similarity	NPC18699
0.9236	High Similarity	NPC177650
0.9231	High Similarity	NPC32867
0.9231	High Similarity	NPC69531
0.9226	High Similarity	NPC329844
0.9226	High Similarity	NPC121568
0.9221	High Similarity	NPC149526
0.9221	High Similarity	NPC178484
0.9221	High Similarity	NPC474417
0.9216	High Similarity	NPC3642
0.9187	High Similarity	NPC473010
0.9182	High Similarity	NPC473011
0.9177	High Similarity	NPC312993
0.9177	High Similarity	NPC472618
0.9177	High Similarity	NPC195136
0.9177	High Similarity	NPC98023
0.9177	High Similarity	NPC42965
0.9177	High Similarity	NPC226462
0.9172	High Similarity	NPC257166
0.9172	High Similarity	NPC1796
0.9167	High Similarity	NPC254351
0.9156	High Similarity	NPC472633
0.915	High Similarity	NPC122894
0.9145	High Similarity	NPC470131
0.9145	High Similarity	NPC290133
0.9145	High Similarity	NPC24136
0.9145	High Similarity	NPC473078
0.9145	High Similarity	NPC109183
0.9145	High Similarity	NPC470132
0.9145	High Similarity	NPC187282
0.9145	High Similarity	NPC470134
0.9145	High Similarity	NPC470133
0.913	High Similarity	NPC477835
0.9114	High Similarity	NPC324736
0.9114	High Similarity	NPC295090
0.9114	High Similarity	NPC15815
0.9114	High Similarity	NPC51247
0.9114	High Similarity	NPC186113
0.9108	High Similarity	NPC198489
0.9108	High Similarity	NPC61112
0.9108	High Similarity	NPC208152
0.9108	High Similarity	NPC78492
0.9103	High Similarity	NPC71061
0.9103	High Similarity	NPC194593
0.9103	High Similarity	NPC303485
0.9103	High Similarity	NPC169990
0.9103	High Similarity	NPC210942
0.9103	High Similarity	NPC290830
0.9103	High Similarity	NPC72425
0.9097	High Similarity	NPC317715
0.9097	High Similarity	NPC478148
0.9097	High Similarity	NPC148945
0.9097	High Similarity	NPC309512
0.9097	High Similarity	NPC78835
0.9097	High Similarity	NPC204561
0.9097	High Similarity	NPC316960
0.9091	High Similarity	NPC100985
0.9091	High Similarity	NPC329933
0.9091	High Similarity	NPC473016
0.9091	High Similarity	NPC288036
0.9091	High Similarity	NPC97029
0.9091	High Similarity	NPC158338
0.9091	High Similarity	NPC65589
0.9091	High Similarity	NPC97028
0.9085	High Similarity	NPC308200
0.9079	High Similarity	NPC39045
0.9079	High Similarity	NPC470135
0.9079	High Similarity	NPC470136
0.9079	High Similarity	NPC271288
0.9057	High Similarity	NPC472052
0.9057	High Similarity	NPC472060
0.9057	High Similarity	NPC470342
0.9051	High Similarity	NPC272196
0.9051	High Similarity	NPC208258
0.9051	High Similarity	NPC287789
0.9051	High Similarity	NPC271741
0.9045	High Similarity	NPC100049
0.9045	High Similarity	NPC14606
0.9045	High Similarity	NPC258474
0.9045	High Similarity	NPC201227
0.9045	High Similarity	NPC79375
0.9045	High Similarity	NPC159707
0.9045	High Similarity	NPC265624
0.9045	High Similarity	NPC186227
0.9045	High Similarity	NPC205026
0.9045	High Similarity	NPC158027
0.9045	High Similarity	NPC37253
0.9045	High Similarity	NPC121649
0.9045	High Similarity	NPC248739
0.9045	High Similarity	NPC215203
0.9045	High Similarity	NPC52611
0.9045	High Similarity	NPC150908
0.9045	High Similarity	NPC226656
0.9045	High Similarity	NPC66508
0.9038	High Similarity	NPC78324
0.9038	High Similarity	NPC154683
0.9038	High Similarity	NPC115601
0.9038	High Similarity	NPC208011
0.9038	High Similarity	NPC40356
0.9038	High Similarity	NPC39154
0.9038	High Similarity	NPC474843
0.9038	High Similarity	NPC174086
0.9032	High Similarity	NPC29777
0.9032	High Similarity	NPC202595
0.9032	High Similarity	NPC227122
0.9032	High Similarity	NPC471115
0.9026	High Similarity	NPC145467
0.9026	High Similarity	NPC256672
0.9026	High Similarity	NPC27221
0.9026	High Similarity	NPC7025
0.9026	High Similarity	NPC39195
0.9024	High Similarity	NPC477836
0.902	High Similarity	NPC228779
0.902	High Similarity	NPC472629
0.9013	High Similarity	NPC223812
0.9013	High Similarity	NPC81697
0.9013	High Similarity	NPC85162
0.9013	High Similarity	NPC107177
0.9013	High Similarity	NPC278249
0.9013	High Similarity	NPC125894
0.9013	High Similarity	NPC77794
0.9012	High Similarity	NPC272502
0.9012	High Similarity	NPC171985
0.9012	High Similarity	NPC224851
0.9012	High Similarity	NPC320741
0.9	High Similarity	NPC472261
0.8994	High Similarity	NPC210459
0.8994	High Similarity	NPC85121
0.8987	High Similarity	NPC309648
0.8982	High Similarity	NPC277710
0.8982	High Similarity	NPC153578
0.8982	High Similarity	NPC299149
0.8982	High Similarity	NPC114257
0.8981	High Similarity	NPC280530
0.8981	High Similarity	NPC178964
0.8981	High Similarity	NPC95842
0.8981	High Similarity	NPC135522
0.8974	High Similarity	NPC111112
0.8974	High Similarity	NPC138299
0.8974	High Similarity	NPC305965
0.8974	High Similarity	NPC222713
0.8974	High Similarity	NPC67322
0.8968	High Similarity	NPC471114
0.8968	High Similarity	NPC132345
0.8961	High Similarity	NPC296998
0.8961	High Similarity	NPC7943
0.8961	High Similarity	NPC123202
0.8961	High Similarity	NPC10990
0.8961	High Similarity	NPC34802
0.8961	High Similarity	NPC473077
0.8961	High Similarity	NPC300988
0.8961	High Similarity	NPC22005
0.8957	High Similarity	NPC225419
0.8954	High Similarity	NPC124780
0.8954	High Similarity	NPC470890
0.8954	High Similarity	NPC473015
0.8954	High Similarity	NPC131568
0.8954	High Similarity	NPC311144
0.8954	High Similarity	NPC473014
0.8954	High Similarity	NPC131579
0.8954	High Similarity	NPC87486
0.8954	High Similarity	NPC473013
0.8954	High Similarity	NPC235217
0.8951	High Similarity	NPC25361
0.8951	High Similarity	NPC474591
0.8947	High Similarity	NPC64915
0.8947	High Similarity	NPC167624
0.8947	High Similarity	NPC148757
0.8947	High Similarity	NPC296917

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC18380 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	329
0.1-0.2	920
0.2-0.3	1429
0.3-0.4	2489
0.4-0.5	2088
0.5-0.6	1171
0.6-0.7	512
0.7-0.8	169
0.8-0.85	34
0.85-0.9	18
0.9-0.95	2
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.9487	High Similarity	NPD6959	Discontinued
0.9045	High Similarity	NPD8443	Clinical (unspecified phase)
0.8861	High Similarity	NPD2393	Clinical (unspecified phase)
0.8742	High Similarity	NPD7819	Suspended
0.872	High Similarity	NPD7852	Clinical (unspecified phase)
0.871	High Similarity	NPD4378	Clinical (unspecified phase)
0.8645	High Similarity	NPD7390	Discontinued
0.8618	High Similarity	NPD1552	Clinical (unspecified phase)
0.8618	High Similarity	NPD1550	Clinical (unspecified phase)
0.8616	High Similarity	NPD7411	Suspended
0.8606	High Similarity	NPD6168	Clinical (unspecified phase)
0.8606	High Similarity	NPD6167	Clinical (unspecified phase)
0.8606	High Similarity	NPD6166	Phase 2
0.859	High Similarity	NPD7410	Clinical (unspecified phase)
0.8563	High Similarity	NPD5844	Phase 1
0.8562	High Similarity	NPD1549	Phase 2
0.8562	High Similarity	NPD1934	Approved
0.8554	High Similarity	NPD7473	Discontinued
0.8553	High Similarity	NPD4380	Phase 2
0.8519	High Similarity	NPD7768	Phase 2
0.8485	Intermediate Similarity	NPD6232	Discontinued
0.8364	Intermediate Similarity	NPD5494	Approved
0.8354	Intermediate Similarity	NPD3749	Approved
0.8354	Intermediate Similarity	NPD7075	Discontinued
0.8312	Intermediate Similarity	NPD2796	Approved
0.8282	Intermediate Similarity	NPD7096	Clinical (unspecified phase)
0.8247	Intermediate Similarity	NPD1510	Phase 2
0.8242	Intermediate Similarity	NPD4381	Clinical (unspecified phase)
0.8239	Intermediate Similarity	NPD2532	Approved
0.8239	Intermediate Similarity	NPD2533	Approved
0.8239	Intermediate Similarity	NPD2534	Approved
0.8235	Intermediate Similarity	NPD7804	Clinical (unspecified phase)
0.8208	Intermediate Similarity	NPD8313	Approved
0.8208	Intermediate Similarity	NPD8312	Approved
0.8205	Intermediate Similarity	NPD970	Clinical (unspecified phase)
0.8198	Intermediate Similarity	NPD6559	Discontinued
0.8187	Intermediate Similarity	NPD7074	Phase 3
0.8182	Intermediate Similarity	NPD4868	Clinical (unspecified phase)
0.8176	Intermediate Similarity	NPD1511	Approved
0.8171	Intermediate Similarity	NPD2801	Approved
0.8148	Intermediate Similarity	NPD5808	Clinical (unspecified phase)
0.8129	Intermediate Similarity	NPD7054	Approved
0.8117	Intermediate Similarity	NPD1607	Approved
0.8105	Intermediate Similarity	NPD1240	Approved
0.8101	Intermediate Similarity	NPD3750	Approved
0.8092	Intermediate Similarity	NPD4907	Clinical (unspecified phase)
0.8081	Intermediate Similarity	NPD7472	Approved
0.8075	Intermediate Similarity	NPD1512	Approved
0.8038	Intermediate Similarity	NPD7421	Clinical (unspecified phase)
0.8037	Intermediate Similarity	NPD3226	Approved
0.8035	Intermediate Similarity	NPD6797	Phase 2
0.8013	Intermediate Similarity	NPD1509	Clinical (unspecified phase)
0.8012	Intermediate Similarity	NPD7004	Clinical (unspecified phase)
0.8	Intermediate Similarity	NPD6801	Discontinued
0.7989	Intermediate Similarity	NPD7251	Discontinued
0.7989	Intermediate Similarity	NPD7879	Clinical (unspecified phase)
0.7987	Intermediate Similarity	NPD7003	Approved
0.7978	Intermediate Similarity	NPD8397	Clinical (unspecified phase)
0.7964	Intermediate Similarity	NPD3882	Suspended
0.7962	Intermediate Similarity	NPD6100	Approved
0.7962	Intermediate Similarity	NPD6099	Approved
0.7961	Intermediate Similarity	NPD4908	Phase 1
0.7943	Intermediate Similarity	NPD7808	Phase 3
0.7931	Intermediate Similarity	NPD7993	Clinical (unspecified phase)
0.7925	Intermediate Similarity	NPD2800	Approved
0.7911	Intermediate Similarity	NPD2346	Discontinued
0.7904	Intermediate Similarity	NPD3817	Phase 2
0.7879	Intermediate Similarity	NPD6599	Discontinued
0.7861	Intermediate Similarity	NPD3818	Discontinued
0.7848	Intermediate Similarity	NPD5406	Approved
0.7848	Intermediate Similarity	NPD5405	Approved
0.7848	Intermediate Similarity	NPD2935	Discontinued
0.7848	Intermediate Similarity	NPD5408	Approved
0.7848	Intermediate Similarity	NPD5404	Approved
0.784	Intermediate Similarity	NPD6799	Approved
0.7836	Intermediate Similarity	NPD7229	Phase 3
0.7836	Intermediate Similarity	NPD3787	Discontinued
0.7831	Intermediate Similarity	NPD8151	Discontinued
0.7792	Intermediate Similarity	NPD4625	Phase 3
0.7785	Intermediate Similarity	NPD3748	Approved
0.7759	Intermediate Similarity	NPD3751	Discontinued
0.774	Intermediate Similarity	NPD4338	Clinical (unspecified phase)
0.774	Intermediate Similarity	NPD4419	Clinical (unspecified phase)
0.7738	Intermediate Similarity	NPD1465	Phase 2
0.7736	Intermediate Similarity	NPD1551	Phase 2
0.7733	Intermediate Similarity	NPD5711	Approved
0.7733	Intermediate Similarity	NPD5710	Approved
0.7713	Intermediate Similarity	NPD7871	Phase 2
0.7713	Intermediate Similarity	NPD7870	Phase 2
0.7711	Intermediate Similarity	NPD7458	Discontinued
0.7705	Intermediate Similarity	NPD4360	Phase 2
0.7705	Intermediate Similarity	NPD4363	Phase 3
0.7697	Intermediate Similarity	NPD920	Approved
0.7692	Intermediate Similarity	NPD5402	Approved
0.7688	Intermediate Similarity	NPD6776	Approved
0.7688	Intermediate Similarity	NPD6779	Approved
0.7688	Intermediate Similarity	NPD2344	Approved
0.7688	Intermediate Similarity	NPD6782	Approved
0.7688	Intermediate Similarity	NPD6781	Approved
0.7688	Intermediate Similarity	NPD6780	Approved
0.7688	Intermediate Similarity	NPD6778	Approved
0.7688	Intermediate Similarity	NPD6777	Approved
0.7683	Intermediate Similarity	NPD7422	Clinical (unspecified phase)
0.7673	Intermediate Similarity	NPD2799	Discontinued
0.7658	Intermediate Similarity	NPD6651	Approved
0.7657	Intermediate Similarity	NPD7177	Discontinued
0.7654	Intermediate Similarity	NPD6398	Clinical (unspecified phase)
0.7636	Intermediate Similarity	NPD6273	Approved
0.7628	Intermediate Similarity	NPD6859	Clinical (unspecified phase)
0.7593	Intermediate Similarity	NPD1243	Approved
0.759	Intermediate Similarity	NPD5403	Approved
0.7576	Intermediate Similarity	NPD642	Clinical (unspecified phase)
0.7569	Intermediate Similarity	NPD8150	Discontinued
0.7566	Intermediate Similarity	NPD7698	Approved
0.7566	Intermediate Similarity	NPD7696	Phase 3
0.7566	Intermediate Similarity	NPD7435	Discontinued
0.7566	Intermediate Similarity	NPD7697	Approved
0.7565	Intermediate Similarity	NPD7783	Phase 2
0.7565	Intermediate Similarity	NPD7782	Clinical (unspecified phase)
0.7561	Intermediate Similarity	NPD643	Clinical (unspecified phase)
0.7546	Intermediate Similarity	NPD4628	Phase 3
0.7529	Intermediate Similarity	NPD8455	Phase 2
0.7528	Intermediate Similarity	NPD5953	Discontinued
0.7514	Intermediate Similarity	NPD7286	Phase 2
0.75	Intermediate Similarity	NPD2309	Approved
0.75	Intermediate Similarity	NPD1201	Approved
0.75	Intermediate Similarity	NPD1610	Phase 2
0.7486	Intermediate Similarity	NPD3926	Phase 2
0.7471	Intermediate Similarity	NPD1247	Approved
0.7471	Intermediate Similarity	NPD37	Approved
0.7471	Intermediate Similarity	NPD7199	Phase 2
0.747	Intermediate Similarity	NPD5401	Approved
0.7458	Intermediate Similarity	NPD7228	Approved
0.7457	Intermediate Similarity	NPD919	Approved
0.7457	Intermediate Similarity	NPD6234	Discontinued
0.7442	Intermediate Similarity	NPD4966	Approved
0.7442	Intermediate Similarity	NPD4965	Approved
0.7442	Intermediate Similarity	NPD4967	Phase 2
0.7421	Intermediate Similarity	NPD6823	Phase 2
0.7419	Intermediate Similarity	NPD1470	Approved
0.7419	Intermediate Similarity	NPD6534	Approved
0.7419	Intermediate Similarity	NPD6535	Approved
0.7412	Intermediate Similarity	NPD7615	Clinical (unspecified phase)
0.7409	Intermediate Similarity	NPD7701	Phase 2
0.7407	Intermediate Similarity	NPD7501	Clinical (unspecified phase)
0.7405	Intermediate Similarity	NPD2313	Discontinued
0.7391	Intermediate Similarity	NPD4287	Approved
0.7386	Intermediate Similarity	NPD7184	Clinical (unspecified phase)
0.7386	Intermediate Similarity	NPD1547	Clinical (unspecified phase)
0.7385	Intermediate Similarity	NPD7801	Approved
0.7375	Intermediate Similarity	NPD5124	Phase 1
0.7375	Intermediate Similarity	NPD5123	Clinical (unspecified phase)
0.734	Intermediate Similarity	NPD8090	Clinical (unspecified phase)
0.7333	Intermediate Similarity	NPD7875	Clinical (unspecified phase)
0.7333	Intermediate Similarity	NPD1878	Clinical (unspecified phase)
0.7333	Intermediate Similarity	NPD7874	Approved
0.7326	Intermediate Similarity	NPD5761	Phase 2
0.7326	Intermediate Similarity	NPD5760	Phase 2
0.7325	Intermediate Similarity	NPD2861	Phase 2
0.7322	Intermediate Similarity	NPD8055	Clinical (unspecified phase)
0.7312	Intermediate Similarity	NPD1613	Approved
0.7312	Intermediate Similarity	NPD943	Approved
0.7312	Intermediate Similarity	NPD1612	Clinical (unspecified phase)
0.7302	Intermediate Similarity	NPD7700	Phase 2
0.7302	Intermediate Similarity	NPD7699	Phase 2
0.7296	Intermediate Similarity	NPD3268	Approved
0.7296	Intermediate Similarity	NPD6410	Clinical (unspecified phase)
0.729	Intermediate Similarity	NPD4749	Approved
0.7287	Intermediate Similarity	NPD4361	Phase 2
0.7287	Intermediate Similarity	NPD4362	Clinical (unspecified phase)
0.7278	Intermediate Similarity	NPD6980	Clinical (unspecified phase)
0.7273	Intermediate Similarity	NPD5698	Clinical (unspecified phase)
0.7261	Intermediate Similarity	NPD2798	Approved
0.7256	Intermediate Similarity	NPD2343	Clinical (unspecified phase)
0.7254	Intermediate Similarity	NPD8320	Phase 1
0.7254	Intermediate Similarity	NPD8319	Approved
0.7244	Intermediate Similarity	NPD1283	Approved
0.7239	Intermediate Similarity	NPD7033	Discontinued
0.7226	Intermediate Similarity	NPD1608	Approved
0.7205	Intermediate Similarity	NPD2979	Phase 3
0.7205	Intermediate Similarity	NPD4060	Phase 1
0.7197	Intermediate Similarity	NPD2797	Approved
0.7197	Intermediate Similarity	NPD1203	Approved
0.719	Intermediate Similarity	NPD1651	Approved
0.7189	Intermediate Similarity	NPD8434	Phase 2
0.7188	Intermediate Similarity	NPD3764	Approved
0.7184	Intermediate Similarity	NPD4288	Approved
0.7181	Intermediate Similarity	NPD6212	Phase 3
0.7181	Intermediate Similarity	NPD6213	Phase 3
0.7181	Intermediate Similarity	NPD6214	Clinical (unspecified phase)
0.717	Intermediate Similarity	NPD1529	Clinical (unspecified phase)
0.717	Intermediate Similarity	NPD6832	Phase 2
0.7168	Intermediate Similarity	NPD6844	Discontinued
0.7167	Intermediate Similarity	NPD7893	Clinical (unspecified phase)
0.716	Intermediate Similarity	NPD1899	Clinical (unspecified phase)
0.7152	Intermediate Similarity	NPD1471	Phase 3
0.7143	Intermediate Similarity	NPD8155	Clinical (unspecified phase)
0.7134	Intermediate Similarity	NPD651	Clinical (unspecified phase)
0.7126	Intermediate Similarity	NPD8166	Discontinued
0.7124	Intermediate Similarity	NPD1548	Phase 1

Structure

CID18380 OpenBabel06191715342D 29 34 0 0 1 0 0 0 0 0999 V2000 4.6308 1.2755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2530 1.3203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2594 0.4483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2322 -1.3059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4947 1.7507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4892 -0.8694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9817 -0.8806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5075 0.0068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0178 2.5971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0096 2.5818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7428 1.3092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4957 -0.0078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0108 1.7368 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9882 -0.0190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7673 3.0223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2716 3.0195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7492 0.4373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0144 1.7103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2452 0.4175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7580 1.2924 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5180 2.5919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2608 1.2827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5075 1.7176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7536 0.4276 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7412 0.4083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7692 3.8885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2736 3.8856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7644 1.2763 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 28 1 0 0 0 0 2 3 2 0 0 0 0 2 5 1 0 0 0 0 3 8 1 0 0 0 0 4 6 2 0 0 0 0 4 7 1 0 0 0 0 5 11 2 0 0 0 0 6 12 1 0 0 0 0 7 14 2 0 0 0 0 8 17 2 0 0 0 0 9 15 1 0 0 0 0 10 16 2 0 0 0 0 10 18 1 0 0 0 0 11 13 1 0 0 0 0 11 17 1 0 0 0 0 12 19 2 0 0 0 0 13 9 1 1 0 0 0 13 20 1 0 0 0 0 14 19 1 0 0 0 0 14 25 1 0 0 0 0 15 21 1 0 0 0 0 15 26 2 0 0 0 0 16 21 1 0 0 0 0 16 27 1 0 0 0 0 17 29 1 0 0 0 0 18 22 2 0 0 0 0 18 28 1 0 0 0 0 19 22 1 0 0 0 0 20 23 1 1 0 0 0 20 24 1 0 0 0 0 21 23 2 0 0 0 0 22 23 1 0 0 0 0 24 12 1 6 0 0 0 24 29 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	11740841
ChEMBL	CHEMBL465069
ZINC

Physicochemical Properties

Molecular Weight:	386.12
ALogP:	-1.4745
MLogP:	3.55
XLogP:	3.013
# Rotatable Bonds:	4
Polar Surface Area:	75.99
# H-Bond Aceptor:	1
# H-Bond Donor:	2
# Rings:	6
# Heavy Atoms:	29

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