NPASS Natural Product

Natural Product: NPC282973

Natural Product ID:	NPC282973
Common Name:	Gibberosene A
IUPAC Name:
Synonyms:
Molecular Formula:	C22H32O4
Standard InCHIKey:	MVULDMBCESYPJZ-MZRAHCNJSA-N
Standard InCHI:	InChI=1S/C22H32O4/c1-13(2)17-12-18-15(4)9-7-8-14(3)10-11-19-22(6,26-19)21(20(17)25-18)24-16(5)23/h8,12-13,15,19,21H,7,9-11H2,1-6H3/b14-8+/t15-,19-,21-,22+/m0/s1
Canonical SMILES:	CC(=O)O[C@H]1c2oc(cc2C(C)C)[C@@H](C)CC/C=C(/CC[C@H]2[C@@]1(C)O2)C
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
NPO25026	Sinularia gibberosa	Species	Alcyoniidae	Eukaryota				PMID[18198839]

Biological Activity

Activity Type	# Activity
IC50	4
Others	2

Activity Type	# Activity
Cell Line	5
Others	1

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT65	Cell Line	HepG2	Homo sapiens	GI	<	20	%	DrugMatrix in vitro pharmacology data
NPT81	Cell Line	A549	Homo sapiens	IC50	>	20	ug/ml	18760601
NPT2	Others	Unspecified		IC50	>	20	ug/ml	12828479
NPT65	Cell Line	HepG2	Homo sapiens	IC50	>	20	ug/ml	20427099
NPT83	Cell Line	MCF7	Homo sapiens	IC50	>	20	ug/ml	20427099
NPT83	Cell Line	MCF7	Homo sapiens	GI	=	41.3	%	12762821

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 NPC282973 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	250
0.1-0.2	1034
0.2-0.3	2351
0.3-0.4	5231
0.4-0.5	7615
0.5-0.6	5408
0.6-0.7	6575
0.7-0.8	2345
0.8-0.85	54
0.85-0.9	14
0.9-0.95	12
0.95-1	0

Similarity Score	Similarity Level	Natural Product ID
0.9489	High Similarity	NPC110305
0.9353	High Similarity	NPC37488
0.9353	High Similarity	NPC195920
0.9286	High Similarity	NPC475864
0.9225	High Similarity	NPC475904
0.9225	High Similarity	NPC474270
0.922	High Similarity	NPC474317
0.9155	High Similarity	NPC471618
0.9155	High Similarity	NPC474255
0.9155	High Similarity	NPC474220
0.9065	High Similarity	NPC248795
0.9058	High Similarity	NPC474615
0.8936	High Similarity	NPC22248
0.8904	High Similarity	NPC474378
0.8904	High Similarity	NPC474219
0.8786	High Similarity	NPC107571
0.8777	High Similarity	NPC286130
0.8621	High Similarity	NPC104924
0.8571	High Similarity	NPC303217
0.8561	High Similarity	NPC200718
0.8561	High Similarity	NPC106247
0.8542	High Similarity	NPC254198
0.8523	High Similarity	NPC470380
0.8516	High Similarity	NPC473753
0.8516	High Similarity	NPC473766
0.8511	High Similarity	NPC473268
0.8487	Intermediate Similarity	NPC473368
0.8483	Intermediate Similarity	NPC86935
0.8478	Intermediate Similarity	NPC136340
0.8408	Intermediate Similarity	NPC302392
0.8378	Intermediate Similarity	NPC19747
0.8357	Intermediate Similarity	NPC474407
0.8357	Intermediate Similarity	NPC474426
0.8357	Intermediate Similarity	NPC474425
0.8355	Intermediate Similarity	NPC209364
0.8355	Intermediate Similarity	NPC107646
0.8321	Intermediate Similarity	NPC137570
0.8301	Intermediate Similarity	NPC286722
0.8273	Intermediate Similarity	NPC45947
0.8269	Intermediate Similarity	NPC261184
0.8247	Intermediate Similarity	NPC475295
0.8247	Intermediate Similarity	NPC473473
0.8247	Intermediate Similarity	NPC237155
0.8239	Intermediate Similarity	NPC159786
0.8235	Intermediate Similarity	NPC263265
0.8235	Intermediate Similarity	NPC126723
0.8235	Intermediate Similarity	NPC60973
0.8194	Intermediate Similarity	NPC475381
0.8194	Intermediate Similarity	NPC25255
0.8141	Intermediate Similarity	NPC470939
0.8141	Intermediate Similarity	NPC193798
0.8141	Intermediate Similarity	NPC5079
0.8121	Intermediate Similarity	NPC62799
0.8105	Intermediate Similarity	NPC114880
0.8092	Intermediate Similarity	NPC18135
0.8089	Intermediate Similarity	NPC234660
0.8089	Intermediate Similarity	NPC51568
0.8079	Intermediate Similarity	NPC211625
0.8077	Intermediate Similarity	NPC472653
0.8077	Intermediate Similarity	NPC305016
0.8077	Intermediate Similarity	NPC335761
0.8067	Intermediate Similarity	NPC71821
0.8052	Intermediate Similarity	NPC75310
0.8041	Intermediate Similarity	NPC80635
0.8038	Intermediate Similarity	NPC123088
0.8038	Intermediate Similarity	NPC476857
0.8038	Intermediate Similarity	NPC476858
0.8038	Intermediate Similarity	NPC476856
0.8028	Intermediate Similarity	NPC473344
0.8028	Intermediate Similarity	NPC471545
0.8028	Intermediate Similarity	NPC45358
0.8028	Intermediate Similarity	NPC471544
0.8025	Intermediate Similarity	NPC188649
0.8015	Intermediate Similarity	NPC1848
0.8013	Intermediate Similarity	NPC116639
0.8013	Intermediate Similarity	NPC477403
0.8	Intermediate Similarity	NPC295608
0.8	Intermediate Similarity	NPC250769
0.8	Intermediate Similarity	NPC469485
0.8	Intermediate Similarity	NPC278010
0.7987	Intermediate Similarity	NPC84479
0.7987	Intermediate Similarity	NPC267004
0.7987	Intermediate Similarity	NPC261733
0.7987	Intermediate Similarity	NPC218712
0.7987	Intermediate Similarity	NPC475779
0.7987	Intermediate Similarity	NPC307346
0.7986	Intermediate Similarity	NPC216810
0.7986	Intermediate Similarity	NPC52035
0.7975	Intermediate Similarity	NPC14499
0.7975	Intermediate Similarity	NPC469846
0.7975	Intermediate Similarity	NPC134254
0.7975	Intermediate Similarity	NPC167340
0.7975	Intermediate Similarity	NPC476035
0.7975	Intermediate Similarity	NPC39986
0.7975	Intermediate Similarity	NPC475039
0.7975	Intermediate Similarity	NPC288602
0.7975	Intermediate Similarity	NPC88841
0.7975	Intermediate Similarity	NPC302369
0.7972	Intermediate Similarity	NPC470859
0.7962	Intermediate Similarity	NPC287559
0.7962	Intermediate Similarity	NPC191828
0.7958	Intermediate Similarity	NPC17681
0.7949	Intermediate Similarity	NPC195954
0.7949	Intermediate Similarity	NPC173544
0.7949	Intermediate Similarity	NPC194499
0.7949	Intermediate Similarity	NPC472283
0.7949	Intermediate Similarity	NPC88007
0.7947	Intermediate Similarity	NPC221809
0.7937	Intermediate Similarity	NPC279768
0.7937	Intermediate Similarity	NPC476850
0.7937	Intermediate Similarity	NPC476861
0.7937	Intermediate Similarity	NPC476853
0.7935	Intermediate Similarity	NPC131725
0.7933	Intermediate Similarity	NPC76657
0.7929	Intermediate Similarity	NPC473355
0.7929	Intermediate Similarity	NPC471573
0.7929	Intermediate Similarity	NPC471554
0.7929	Intermediate Similarity	NPC474830
0.7929	Intermediate Similarity	NPC471501
0.7925	Intermediate Similarity	NPC476860
0.7922	Intermediate Similarity	NPC475777
0.7922	Intermediate Similarity	NPC44577
0.7911	Intermediate Similarity	NPC68848
0.7911	Intermediate Similarity	NPC197596
0.7911	Intermediate Similarity	NPC18986
0.7908	Intermediate Similarity	NPC46551
0.7908	Intermediate Similarity	NPC212257
0.7902	Intermediate Similarity	NPC15083
0.7902	Intermediate Similarity	NPC470976
0.7902	Intermediate Similarity	NPC97740
0.7902	Intermediate Similarity	NPC470977
0.7902	Intermediate Similarity	NPC196979
0.7902	Intermediate Similarity	NPC471817
0.7898	Intermediate Similarity	NPC474611
0.7898	Intermediate Similarity	NPC476930
0.7895	Intermediate Similarity	NPC473428
0.7888	Intermediate Similarity	NPC472895
0.7888	Intermediate Similarity	NPC296558
0.7885	Intermediate Similarity	NPC41880
0.7881	Intermediate Similarity	NPC294365
0.7881	Intermediate Similarity	NPC171656
0.7877	Intermediate Similarity	NPC86772
0.7875	Intermediate Similarity	NPC121995
0.7875	Intermediate Similarity	NPC23387
0.7871	Intermediate Similarity	NPC288534
0.7867	Intermediate Similarity	NPC137295
0.7862	Intermediate Similarity	NPC311339
0.7853	Intermediate Similarity	NPC144288
0.7852	Intermediate Similarity	NPC473152
0.7852	Intermediate Similarity	NPC477094
0.7852	Intermediate Similarity	NPC470856
0.7852	Intermediate Similarity	NPC82467
0.7852	Intermediate Similarity	NPC477096
0.7848	Intermediate Similarity	NPC477402
0.7848	Intermediate Similarity	NPC333139
0.7843	Intermediate Similarity	NPC329180
0.7842	Intermediate Similarity	NPC118853
0.784	Intermediate Similarity	NPC470995
0.7834	Intermediate Similarity	NPC470625
0.7834	Intermediate Similarity	NPC45101
0.7834	Intermediate Similarity	NPC187149
0.7832	Intermediate Similarity	NPC282230
0.7832	Intermediate Similarity	NPC183348
0.7829	Intermediate Similarity	NPC470941
0.7829	Intermediate Similarity	NPC24257
0.7829	Intermediate Similarity	NPC153620
0.7826	Intermediate Similarity	NPC173149
0.7826	Intermediate Similarity	NPC472651
0.7826	Intermediate Similarity	NPC179015
0.7826	Intermediate Similarity	NPC270312
0.7826	Intermediate Similarity	NPC173516
0.7826	Intermediate Similarity	NPC472282
0.7823	Intermediate Similarity	NPC220094
0.7823	Intermediate Similarity	NPC325805
0.7823	Intermediate Similarity	NPC272523
0.7823	Intermediate Similarity	NPC476943
0.7821	Intermediate Similarity	NPC301233
0.7821	Intermediate Similarity	NPC469850
0.7821	Intermediate Similarity	NPC44675
0.7821	Intermediate Similarity	NPC214541
0.7815	Intermediate Similarity	NPC105381
0.7815	Intermediate Similarity	NPC184702
0.7815	Intermediate Similarity	NPC10302
0.7812	Intermediate Similarity	NPC56358
0.7806	Intermediate Similarity	NPC98028
0.7806	Intermediate Similarity	NPC476201
0.7806	Intermediate Similarity	NPC75906
0.7806	Intermediate Similarity	NPC121615
0.7806	Intermediate Similarity	NPC294511
0.7801	Intermediate Similarity	NPC476016
0.7801	Intermediate Similarity	NPC184391
0.78	Intermediate Similarity	NPC297985
0.78	Intermediate Similarity	NPC470741
0.78	Intermediate Similarity	NPC223415
0.78	Intermediate Similarity	NPC205071
0.7799	Intermediate Similarity	NPC329938
0.7799	Intermediate Similarity	NPC472668
0.7799	Intermediate Similarity	NPC149896
0.7799	Intermediate Similarity	NPC290400
0.7799	Intermediate Similarity	NPC18347

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC282973 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	882
0.2-0.3	1782
0.3-0.4	2614
0.4-0.5	2115
0.5-0.6	1111
0.6-0.7	352
0.7-0.8	59
0.8-0.85	0
0.85-0.9	0
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.7848	Intermediate Similarity	NPD5537	Clinical (unspecified phase)
0.7707	Intermediate Similarity	NPD7096	Clinical (unspecified phase)
0.7697	Intermediate Similarity	NPD6799	Approved
0.7633	Intermediate Similarity	NPD8434	Phase 2
0.7628	Intermediate Similarity	NPD6599	Discontinued
0.7562	Intermediate Similarity	NPD7075	Discontinued
0.7548	Intermediate Similarity	NPD920	Approved
0.7516	Intermediate Similarity	NPD919	Approved
0.75	Intermediate Similarity	NPD4628	Phase 3
0.7451	Intermediate Similarity	NPD3887	Approved
0.7434	Intermediate Similarity	NPD1243	Approved
0.7421	Intermediate Similarity	NPD6801	Discontinued
0.7419	Intermediate Similarity	NPD642	Clinical (unspecified phase)
0.7417	Intermediate Similarity	NPD1471	Phase 3
0.7362	Intermediate Similarity	NPD5494	Approved
0.7351	Intermediate Similarity	NPD2796	Approved
0.7329	Intermediate Similarity	NPD6832	Phase 2
0.7329	Intermediate Similarity	NPD3817	Phase 2
0.7329	Intermediate Similarity	NPD5402	Approved
0.7325	Intermediate Similarity	NPD5403	Approved
0.7317	Intermediate Similarity	NPD1247	Approved
0.7315	Intermediate Similarity	NPD6355	Discontinued
0.7308	Intermediate Similarity	NPD5401	Approved
0.7303	Intermediate Similarity	NPD2343	Clinical (unspecified phase)
0.729	Intermediate Similarity	NPD643	Clinical (unspecified phase)
0.7284	Intermediate Similarity	NPD3882	Suspended
0.7235	Intermediate Similarity	NPD6764	Approved
0.7235	Intermediate Similarity	NPD6765	Approved
0.7229	Intermediate Similarity	NPD3926	Phase 2
0.7202	Intermediate Similarity	NPD7893	Clinical (unspecified phase)
0.719	Intermediate Similarity	NPD2355	Clinical (unspecified phase)
0.719	Intermediate Similarity	NPD2353	Approved
0.7186	Intermediate Similarity	NPD2403	Approved
0.7183	Intermediate Similarity	NPD17	Approved
0.7171	Intermediate Similarity	NPD2799	Discontinued
0.7162	Intermediate Similarity	NPD2598	Clinical (unspecified phase)
0.716	Intermediate Similarity	NPD7819	Suspended
0.716	Intermediate Similarity	NPD5761	Phase 2
0.716	Intermediate Similarity	NPD5760	Phase 2
0.7134	Intermediate Similarity	NPD3749	Approved
0.7133	Intermediate Similarity	NPD7966	Clinical (unspecified phase)
0.7123	Intermediate Similarity	NPD1049	Clinical (unspecified phase)
0.7097	Intermediate Similarity	NPD7421	Clinical (unspecified phase)
0.7089	Intermediate Similarity	NPD2532	Approved
0.7089	Intermediate Similarity	NPD2534	Approved
0.7089	Intermediate Similarity	NPD4378	Clinical (unspecified phase)
0.7089	Intermediate Similarity	NPD2533	Approved
0.7078	Intermediate Similarity	NPD2344	Approved
0.7075	Intermediate Similarity	NPD5647	Approved
0.7075	Intermediate Similarity	NPD1019	Discontinued
0.7069	Intermediate Similarity	NPD6784	Approved
0.7069	Intermediate Similarity	NPD6785	Approved
0.7066	Intermediate Similarity	NPD6808	Phase 2
0.7059	Intermediate Similarity	NPD7033	Discontinued
0.7034	Intermediate Similarity	NPD1608	Approved
0.7007	Intermediate Similarity	NPD2067	Discontinued
0.7006	Intermediate Similarity	NPD2354	Approved
0.7	Intermediate Similarity	NPD6980	Clinical (unspecified phase)
0.7	Intermediate Similarity	NPD2313	Discontinued
0.6974	Remote Similarity	NPD447	Suspended
0.6974	Remote Similarity	NPD1899	Clinical (unspecified phase)
0.697	Remote Similarity	NPD4868	Clinical (unspecified phase)
0.6968	Remote Similarity	NPD6002	Phase 3
0.6968	Remote Similarity	NPD6006	Clinical (unspecified phase)
0.6968	Remote Similarity	NPD6004	Phase 3
0.6968	Remote Similarity	NPD6003	Clinical (unspecified phase)
0.6968	Remote Similarity	NPD6005	Phase 3
0.6966	Remote Similarity	NPD1547	Clinical (unspecified phase)
0.6959	Remote Similarity	NPD7804	Clinical (unspecified phase)
0.6957	Remote Similarity	NPD2181	Clinical (unspecified phase)
0.6954	Remote Similarity	NPD6233	Phase 2
0.6948	Remote Similarity	NPD3748	Approved
0.6937	Remote Similarity	NPD7314	Clinical (unspecified phase)
0.6933	Remote Similarity	NPD7411	Suspended
0.6928	Remote Similarity	NPD4381	Clinical (unspecified phase)
0.6923	Remote Similarity	NPD970	Clinical (unspecified phase)
0.6923	Remote Similarity	NPD1549	Phase 2
0.6918	Remote Similarity	NPD9717	Approved
0.6914	Remote Similarity	NPD3226	Approved
0.6909	Remote Similarity	NPD5353	Approved
0.6909	Remote Similarity	NPD8443	Clinical (unspecified phase)
0.6901	Remote Similarity	NPD3751	Discontinued
0.6901	Remote Similarity	NPD3818	Discontinued
0.6899	Remote Similarity	NPD2309	Approved
0.6892	Remote Similarity	NPD3266	Approved
0.6892	Remote Similarity	NPD3267	Approved
0.689	Remote Similarity	NPD1934	Approved
0.6887	Remote Similarity	NPD6859	Clinical (unspecified phase)
0.6887	Remote Similarity	NPD6798	Discontinued
0.6882	Remote Similarity	NPD7784	Clinical (unspecified phase)
0.6879	Remote Similarity	NPD2800	Approved
0.6879	Remote Similarity	NPD690	Clinical (unspecified phase)
0.6875	Remote Similarity	NPD8055	Clinical (unspecified phase)
0.6872	Remote Similarity	NPD7879	Clinical (unspecified phase)
0.6871	Remote Similarity	NPD4380	Phase 2
0.6864	Remote Similarity	NPD3787	Discontinued
0.6863	Remote Similarity	NPD1933	Approved
0.6859	Remote Similarity	NPD1550	Clinical (unspecified phase)
0.6859	Remote Similarity	NPD1552	Clinical (unspecified phase)
0.6859	Remote Similarity	NPD2346	Discontinued
0.6853	Remote Similarity	NPD9092	Discovery
0.6848	Remote Similarity	NPD2393	Clinical (unspecified phase)
0.6846	Remote Similarity	NPD2798	Approved
0.6839	Remote Similarity	NPD7685	Pre-registration
0.6839	Remote Similarity	NPD6559	Discontinued
0.6835	Remote Similarity	NPD1878	Clinical (unspecified phase)
0.6835	Remote Similarity	NPD6398	Clinical (unspecified phase)
0.6829	Remote Similarity	NPD6386	Approved
0.6829	Remote Similarity	NPD6385	Approved
0.6818	Remote Similarity	NPD6653	Approved
0.6809	Remote Similarity	NPD1241	Discontinued
0.6806	Remote Similarity	NPD9545	Approved
0.6803	Remote Similarity	NPD3972	Approved
0.6802	Remote Similarity	NPD2163	Approved
0.68	Remote Similarity	NPD4338	Clinical (unspecified phase)
0.6797	Remote Similarity	NPD4307	Phase 2
0.6795	Remote Similarity	NPD1551	Phase 2
0.6788	Remote Similarity	NPD6279	Approved
0.6788	Remote Similarity	NPD6280	Approved
0.6784	Remote Similarity	NPD6167	Clinical (unspecified phase)
0.6784	Remote Similarity	NPD6166	Phase 2
0.6784	Remote Similarity	NPD4575	Clinical (unspecified phase)
0.6784	Remote Similarity	NPD6168	Clinical (unspecified phase)
0.6782	Remote Similarity	NPD7993	Clinical (unspecified phase)
0.6776	Remote Similarity	NPD3268	Approved
0.6776	Remote Similarity	NPD1699	Clinical (unspecified phase)
0.6776	Remote Similarity	NPD3764	Approved
0.677	Remote Similarity	NPD3146	Approved
0.677	Remote Similarity	NPD7004	Clinical (unspecified phase)
0.677	Remote Similarity	NPD3688	Clinical (unspecified phase)
0.6766	Remote Similarity	NPD7768	Phase 2
0.6761	Remote Similarity	NPD8313	Approved
0.6761	Remote Similarity	NPD8312	Approved
0.6759	Remote Similarity	NPD5585	Approved
0.6753	Remote Similarity	NPD230	Phase 1
0.6752	Remote Similarity	NPD5763	Approved
0.6752	Remote Similarity	NPD5762	Approved
0.675	Remote Similarity	NPD6652	Clinical (unspecified phase)
0.6747	Remote Similarity	NPD2801	Approved
0.6747	Remote Similarity	NPD7972	Discontinued
0.6744	Remote Similarity	NPD7473	Discontinued
0.6743	Remote Similarity	NPD7251	Discontinued
0.6732	Remote Similarity	NPD4062	Phase 3
0.6731	Remote Similarity	NPD1510	Phase 2
0.673	Remote Similarity	NPD3750	Approved
0.6711	Remote Similarity	NPD1876	Approved
0.6711	Remote Similarity	NPD7095	Approved
0.6709	Remote Similarity	NPD5958	Discontinued
0.6709	Remote Similarity	NPD2897	Discontinued
0.6708	Remote Similarity	NPD6143	Clinical (unspecified phase)
0.6707	Remote Similarity	NPD7458	Discontinued
0.6705	Remote Similarity	NPD7808	Phase 3
0.6691	Remote Similarity	NPD2182	Approved
0.6688	Remote Similarity	NPD1240	Approved
0.6688	Remote Similarity	NPD2935	Discontinued
0.6687	Remote Similarity	NPD6190	Approved
0.6686	Remote Similarity	NPD6797	Phase 2
0.6686	Remote Similarity	NPD7852	Clinical (unspecified phase)
0.6667	Remote Similarity	NPD2654	Approved
0.6667	Remote Similarity	NPD1203	Approved
0.6667	Remote Similarity	NPD6362	Approved
0.6667	Remote Similarity	NPD2797	Approved
0.6667	Remote Similarity	NPD7410	Clinical (unspecified phase)
0.6667	Remote Similarity	NPD5844	Phase 1
0.6649	Remote Similarity	NPD8285	Discontinued
0.6648	Remote Similarity	NPD8150	Discontinued
0.6646	Remote Similarity	NPD7236	Approved
0.6646	Remote Similarity	NPD957	Approved
0.6629	Remote Similarity	NPD7074	Phase 3
0.6628	Remote Similarity	NPD5242	Approved
0.6628	Remote Similarity	NPD7184	Clinical (unspecified phase)
0.6626	Remote Similarity	NPD5049	Phase 3
0.6626	Remote Similarity	NPD1512	Approved
0.6626	Remote Similarity	NPD6273	Approved
0.6624	Remote Similarity	NPD4308	Phase 3
0.6623	Remote Similarity	NPD6007	Clinical (unspecified phase)
0.6619	Remote Similarity	NPD1358	Approved
0.6615	Remote Similarity	NPD8404	Phase 2
0.6609	Remote Similarity	NPD7799	Discontinued
0.6604	Remote Similarity	NPD4534	Discontinued
0.6603	Remote Similarity	NPD1607	Approved
0.6582	Remote Similarity	NPD2438	Suspended
0.6582	Remote Similarity	NPD6099	Approved
0.6582	Remote Similarity	NPD6100	Approved
0.6581	Remote Similarity	NPD3140	Approved
0.6581	Remote Similarity	NPD3142	Approved
0.6571	Remote Similarity	NPD7054	Approved
0.6571	Remote Similarity	NPD7286	Phase 2
0.657	Remote Similarity	NPD6232	Discontinued
0.6561	Remote Similarity	NPD7097	Phase 1
0.6558	Remote Similarity	NPD411	Approved
0.6556	Remote Similarity	NPD987	Approved
0.6547	Remote Similarity	NPD3134	Approved
0.6538	Remote Similarity	NPD4618	Approved
0.6538	Remote Similarity	NPD4622	Approved
0.6534	Remote Similarity	NPD7472	Approved
0.6533	Remote Similarity	NPD4359	Approved
0.6527	Remote Similarity	NPD958	Approved
0.6524	Remote Similarity	NPD2186	Approved
0.6522	Remote Similarity	NPD4109	Clinical (unspecified phase)

Structure

NPC282973 OpenBabel07101718192D 26 28 0 0 1 0 0 0 0 0999 V2000 0.9409 -0.3814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3255 0.6591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2670 3.0668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6300 -1.4357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5663 -0.7521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4128 -1.3373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7446 0.9709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0815 1.7195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9839 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1537 1.9535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3307 1.3855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4982 -0.9432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9336 -0.2608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1464 2.0741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7446 -0.9709 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3663 -1.7319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5343 -1.0603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0815 -1.7195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1537 -1.9535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3307 -1.3855 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8660 -0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.1148 -2.3950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5822 -2.0486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1464 -2.0741 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 13 1 0 0 0 0 2 13 1 0 0 0 0 3 14 1 0 0 0 0 5 16 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 14 2 0 0 0 0 9 15 1 0 0 0 0 10 11 1 0 0 0 0 10 14 1 0 0 0 0 11 19 1 0 0 0 0 12 17 1 0 0 0 0 12 18 2 0 0 0 0 13 17 1 0 0 0 0 15 4 1 6 0 0 0 15 18 1 0 0 0 0 16 23 2 0 0 0 0 16 24 1 0 0 0 0 17 20 2 0 0 0 0 18 25 1 0 0 0 0 19 22 1 1 0 0 0 19 26 1 0 0 0 0 20 21 1 0 0 0 0 20 25 1 0 0 0 0 21 22 1 6 0 0 0 21 24 1 0 0 0 0 22 6 1 1 0 0 0 22 26 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	24801590
ChEMBL	CHEMBL256911
ZINC

Physicochemical Properties

Molecular Weight:	360.23
ALogP:	1.5705
MLogP:	3.44
XLogP:	5.286
# Rotatable Bonds:	9
Polar Surface Area:	51.97
# H-Bond Aceptor:	3
# H-Bond Donor:	0
# Rings:	3
# Heavy Atoms:	26

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