NPASS Natural Product

Natural Product: NPC148738

Natural Product ID:	NPC148738
Common Name:	Fukanefuromarin A
IUPAC Name:	(2R,3S)-2-[(4E)-4,8-dimethyl-6-oxonona-4,7-dienyl]-7-hydroxy-2,3-dimethyl-3H-furo[3,2-c]chromen-4-one
Synonyms:
Molecular Formula:	C24H28O5
Standard InCHIKey:	NWTCYOAKBSTWBB-RHUXRCPJSA-N
Standard InCHI:	InChI=1S/C24H28O5/c1-14(2)11-18(26)12-15(3)7-6-10-24(5)16(4)21-22(29-24)19-9-8-17(25)13-20(19)28-23(21)27/h8-9,11-13,16,25H,6-7,10H2,1-5H3/b15-12+/t16-,24+/m0/s1
Canonical SMILES:	C/C(=CC(=O)C=C(C)C)/CCC[C@@]1(C)Oc2c([C@@H]1C)c(=O)oc1c2ccc(c1)O
First Find Year:
Max Developmental Stage:
Synthetic Gene Cluster:	;

Species Source

Organism ID	Organism Name	Taxonomy Level	Family	SuperKingdom	Isolation Part	Reference
NPO3780	Ferula fukanensis	Species	Apiaceae	Eukaryota		PMID[15043424]
NPO3780	Ferula fukanensis	Species	Apiaceae	Eukaryota		TCMID*
NPO3780	Ferula fukanensis	Species	Apiaceae	Eukaryota	Root	PMID[15043424]

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
NPT113	Cell Line	RAW264.7	Mus musculus	IC50	=	13000	nM	15043424

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 NPC148738 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	223
0.1-0.2	1053
0.2-0.3	2072
0.3-0.4	4765
0.4-0.5	8161
0.5-0.6	3159
0.6-0.7	4761
0.7-0.8	5762
0.8-0.85	853
0.85-0.9	74
0.9-0.95	1
0.95-1	5

Similarity Score	Similarity Level	Natural Product ID
1.0	High Similarity	NPC327612
1.0	High Similarity	NPC73078
1.0	High Similarity	NPC319870
0.9847	High Similarity	NPC246177
0.9847	High Similarity	NPC317045
0.9167	High Similarity	NPC474289
0.8993	High Similarity	NPC310370
0.8993	High Similarity	NPC183642
0.8986	High Similarity	NPC221046
0.8978	High Similarity	NPC223616
0.8963	High Similarity	NPC307289
0.8873	High Similarity	NPC71739
0.8873	High Similarity	NPC295696
0.8857	High Similarity	NPC170812
0.8786	High Similarity	NPC71903
0.8777	High Similarity	NPC471068
0.8777	High Similarity	NPC471069
0.8759	High Similarity	NPC54503
0.8759	High Similarity	NPC55147
0.8732	High Similarity	NPC229916
0.8731	High Similarity	NPC243688
0.8723	High Similarity	NPC155552
0.8714	High Similarity	NPC471070
0.8714	High Similarity	NPC332594
0.8714	High Similarity	NPC471071
0.8714	High Similarity	NPC471072
0.8702	High Similarity	NPC52247
0.8702	High Similarity	NPC187868
0.8676	High Similarity	NPC32463
0.8652	High Similarity	NPC470669
0.8652	High Similarity	NPC470668
0.8633	High Similarity	NPC61499
0.8621	High Similarity	NPC154217
0.8611	High Similarity	NPC87609
0.8611	High Similarity	NPC313039
0.8611	High Similarity	NPC188632
0.8611	High Similarity	NPC131043
0.8611	High Similarity	NPC470296
0.8611	High Similarity	NPC109812
0.8611	High Similarity	NPC112791
0.8611	High Similarity	NPC196459
0.8611	High Similarity	NPC198459
0.8611	High Similarity	NPC94794
0.8611	High Similarity	NPC473976
0.8601	High Similarity	NPC470555
0.8582	High Similarity	NPC93219
0.8582	High Similarity	NPC474624
0.8582	High Similarity	NPC168259
0.8582	High Similarity	NPC131782
0.8582	High Similarity	NPC244495
0.8582	High Similarity	NPC138047
0.8571	High Similarity	NPC103116
0.8571	High Similarity	NPC266245
0.8562	High Similarity	NPC142863
0.8562	High Similarity	NPC249942
0.8562	High Similarity	NPC297886
0.8561	High Similarity	NPC131950
0.8552	High Similarity	NPC212697
0.8552	High Similarity	NPC178627
0.8552	High Similarity	NPC196137
0.8552	High Similarity	NPC1886
0.8552	High Similarity	NPC469935
0.855	High Similarity	NPC474874
0.8542	High Similarity	NPC36181
0.854	High Similarity	NPC2989
0.8533	High Similarity	NPC469934
0.8531	High Similarity	NPC221173
0.8529	High Similarity	NPC219923
0.8529	High Similarity	NPC185066
0.8521	High Similarity	NPC470083
0.8521	High Similarity	NPC219584
0.8521	High Similarity	NPC183639
0.8521	High Similarity	NPC199458
0.8514	High Similarity	NPC158866
0.8511	High Similarity	NPC187826
0.8511	High Similarity	NPC309452
0.8503	High Similarity	NPC208303
0.8503	High Similarity	NPC146388
0.8503	High Similarity	NPC161864
0.8503	High Similarity	NPC469933
0.8493	Intermediate Similarity	NPC57470
0.8493	Intermediate Similarity	NPC470322
0.8493	Intermediate Similarity	NPC153758
0.8493	Intermediate Similarity	NPC181388
0.8489	Intermediate Similarity	NPC83535
0.8489	Intermediate Similarity	NPC163557
0.8489	Intermediate Similarity	NPC10971
0.8489	Intermediate Similarity	NPC31849
0.8485	Intermediate Similarity	NPC302107
0.8467	Intermediate Similarity	NPC187907
0.8462	Intermediate Similarity	NPC472343
0.8462	Intermediate Similarity	NPC241975
0.8462	Intermediate Similarity	NPC19476
0.8462	Intermediate Similarity	NPC23257
0.8456	Intermediate Similarity	NPC258567
0.8456	Intermediate Similarity	NPC224774
0.8456	Intermediate Similarity	NPC290671
0.8456	Intermediate Similarity	NPC121740
0.8451	Intermediate Similarity	NPC307883
0.8451	Intermediate Similarity	NPC151946
0.8446	Intermediate Similarity	NPC146014
0.8446	Intermediate Similarity	NPC469932
0.844	Intermediate Similarity	NPC104796
0.8435	Intermediate Similarity	NPC140120
0.8435	Intermediate Similarity	NPC180477
0.8425	Intermediate Similarity	NPC311144
0.8425	Intermediate Similarity	NPC469953
0.8417	Intermediate Similarity	NPC194277
0.8417	Intermediate Similarity	NPC175159
0.8414	Intermediate Similarity	NPC470556
0.8409	Intermediate Similarity	NPC247553
0.8406	Intermediate Similarity	NPC146615
0.8406	Intermediate Similarity	NPC113098
0.8403	Intermediate Similarity	NPC477272
0.8403	Intermediate Similarity	NPC471587
0.8394	Intermediate Similarity	NPC469453
0.8392	Intermediate Similarity	NPC470671
0.8392	Intermediate Similarity	NPC470672
0.8392	Intermediate Similarity	NPC474504
0.8392	Intermediate Similarity	NPC131130
0.8392	Intermediate Similarity	NPC474487
0.8389	Intermediate Similarity	NPC471115
0.8389	Intermediate Similarity	NPC29777
0.8389	Intermediate Similarity	NPC474735
0.838	Intermediate Similarity	NPC174999
0.838	Intermediate Similarity	NPC155963
0.838	Intermediate Similarity	NPC13408
0.838	Intermediate Similarity	NPC472516
0.8378	Intermediate Similarity	NPC37139
0.837	Intermediate Similarity	NPC27671
0.837	Intermediate Similarity	NPC201667
0.837	Intermediate Similarity	NPC73413
0.8369	Intermediate Similarity	NPC144027
0.8369	Intermediate Similarity	NPC236974
0.8367	Intermediate Similarity	NPC299011
0.8357	Intermediate Similarity	NPC25937
0.8356	Intermediate Similarity	NPC470909
0.8356	Intermediate Similarity	NPC113770
0.8356	Intermediate Similarity	NPC474939
0.8356	Intermediate Similarity	NPC96216
0.8356	Intermediate Similarity	NPC307895
0.8356	Intermediate Similarity	NPC470216
0.8356	Intermediate Similarity	NPC470553
0.8355	Intermediate Similarity	NPC469936
0.8355	Intermediate Similarity	NPC109967
0.8355	Intermediate Similarity	NPC129053
0.8355	Intermediate Similarity	NPC475797
0.8355	Intermediate Similarity	NPC78554
0.8355	Intermediate Similarity	NPC474738
0.8355	Intermediate Similarity	NPC321372
0.8355	Intermediate Similarity	NPC474609
0.8345	Intermediate Similarity	NPC64908
0.8345	Intermediate Similarity	NPC270369
0.8345	Intermediate Similarity	NPC118840
0.8345	Intermediate Similarity	NPC5515
0.8345	Intermediate Similarity	NPC472517
0.8345	Intermediate Similarity	NPC37009
0.8345	Intermediate Similarity	NPC267336
0.8345	Intermediate Similarity	NPC147688
0.8345	Intermediate Similarity	NPC282300
0.8345	Intermediate Similarity	NPC205006
0.8345	Intermediate Similarity	NPC250727
0.8345	Intermediate Similarity	NPC29734
0.8345	Intermediate Similarity	NPC272650
0.8345	Intermediate Similarity	NPC66430
0.8345	Intermediate Similarity	NPC156590
0.8333	Intermediate Similarity	NPC96565
0.8333	Intermediate Similarity	NPC55018
0.8333	Intermediate Similarity	NPC195357
0.8333	Intermediate Similarity	NPC303633
0.8333	Intermediate Similarity	NPC216978
0.8333	Intermediate Similarity	NPC287286
0.8333	Intermediate Similarity	NPC472515
0.8333	Intermediate Similarity	NPC152771
0.8333	Intermediate Similarity	NPC220062
0.8333	Intermediate Similarity	NPC301217
0.8322	Intermediate Similarity	NPC19238
0.8322	Intermediate Similarity	NPC211110
0.8322	Intermediate Similarity	NPC104236
0.8322	Intermediate Similarity	NPC279573
0.8322	Intermediate Similarity	NPC164205
0.8322	Intermediate Similarity	NPC253616
0.8311	Intermediate Similarity	NPC285748
0.8311	Intermediate Similarity	NPC308200
0.8311	Intermediate Similarity	NPC474108
0.8311	Intermediate Similarity	NPC243154
0.8311	Intermediate Similarity	NPC177995
0.831	Intermediate Similarity	NPC476455
0.831	Intermediate Similarity	NPC38099
0.831	Intermediate Similarity	NPC101752
0.831	Intermediate Similarity	NPC283019
0.831	Intermediate Similarity	NPC149320
0.831	Intermediate Similarity	NPC151113
0.831	Intermediate Similarity	NPC160727
0.831	Intermediate Similarity	NPC471630
0.831	Intermediate Similarity	NPC128529
0.831	Intermediate Similarity	NPC55615
0.831	Intermediate Similarity	NPC26954
0.831	Intermediate Similarity	NPC177281
0.8309	Intermediate Similarity	NPC471828

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC148738 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	243
0.1-0.2	821
0.2-0.3	1445
0.3-0.4	2378
0.4-0.5	2181
0.5-0.6	1347
0.6-0.7	537
0.7-0.8	191
0.8-0.85	14
0.85-0.9	4
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.8702	High Similarity	NPD422	Phase 1
0.8582	High Similarity	NPD2797	Approved
0.854	High Similarity	NPD3268	Approved
0.8531	High Similarity	NPD3750	Approved
0.8406	Intermediate Similarity	NPD6859	Clinical (unspecified phase)
0.8403	Intermediate Similarity	NPD6398	Clinical (unspecified phase)
0.8273	Intermediate Similarity	NPD1296	Phase 2
0.8227	Intermediate Similarity	NPD5123	Clinical (unspecified phase)
0.8227	Intermediate Similarity	NPD5124	Phase 1
0.8182	Intermediate Similarity	NPD3748	Approved
0.8176	Intermediate Similarity	NPD4378	Clinical (unspecified phase)
0.8175	Intermediate Similarity	NPD3266	Approved
0.8175	Intermediate Similarity	NPD3267	Approved
0.8138	Intermediate Similarity	NPD970	Clinical (unspecified phase)
0.8065	Intermediate Similarity	NPD3749	Approved
0.8054	Intermediate Similarity	NPD7410	Clinical (unspecified phase)
0.8	Intermediate Similarity	NPD6099	Approved
0.8	Intermediate Similarity	NPD6100	Approved
0.7971	Intermediate Similarity	NPD3225	Approved
0.7959	Intermediate Similarity	NPD2800	Approved
0.7945	Intermediate Similarity	NPD1552	Clinical (unspecified phase)
0.7945	Intermediate Similarity	NPD1550	Clinical (unspecified phase)
0.7931	Intermediate Similarity	NPD2799	Discontinued
0.7905	Intermediate Similarity	NPD1878	Clinical (unspecified phase)
0.7902	Intermediate Similarity	NPD1240	Approved
0.7891	Intermediate Similarity	NPD1549	Phase 2
0.7872	Intermediate Similarity	NPD1008	Clinical (unspecified phase)
0.7872	Intermediate Similarity	NPD4908	Phase 1
0.7867	Intermediate Similarity	NPD6799	Approved
0.7857	Intermediate Similarity	NPD7411	Suspended
0.7857	Intermediate Similarity	NPD7615	Clinical (unspecified phase)
0.7838	Intermediate Similarity	NPD1243	Approved
0.7838	Intermediate Similarity	NPD7421	Clinical (unspecified phase)
0.7829	Intermediate Similarity	NPD920	Approved
0.7826	Intermediate Similarity	NPD9717	Approved
0.7815	Intermediate Similarity	NPD2533	Approved
0.7815	Intermediate Similarity	NPD2532	Approved
0.7815	Intermediate Similarity	NPD2534	Approved
0.7808	Intermediate Similarity	NPD1510	Phase 2
0.7808	Intermediate Similarity	NPD7033	Discontinued
0.7808	Intermediate Similarity	NPD4308	Phase 3
0.7793	Intermediate Similarity	NPD1607	Approved
0.7792	Intermediate Similarity	NPD6599	Discontinued
0.7786	Intermediate Similarity	NPD1203	Approved
0.7771	Intermediate Similarity	NPD7768	Phase 2
0.777	Intermediate Similarity	NPD4749	Approved
0.7762	Intermediate Similarity	NPD4907	Clinical (unspecified phase)
0.7756	Intermediate Similarity	NPD2801	Approved
0.7756	Intermediate Similarity	NPD7819	Suspended
0.7755	Intermediate Similarity	NPD2796	Approved
0.7755	Intermediate Similarity	NPD1551	Phase 2
0.7754	Intermediate Similarity	NPD1610	Phase 2
0.7748	Intermediate Similarity	NPD1511	Approved
0.7724	Intermediate Similarity	NPD6355	Discontinued
0.7722	Intermediate Similarity	NPD7075	Discontinued
0.7721	Intermediate Similarity	NPD1548	Phase 1
0.7718	Intermediate Similarity	NPD1652	Phase 2
0.7707	Intermediate Similarity	NPD8443	Clinical (unspecified phase)
0.7703	Intermediate Similarity	NPD6005	Phase 3
0.7703	Intermediate Similarity	NPD6003	Clinical (unspecified phase)
0.7703	Intermediate Similarity	NPD6002	Phase 3
0.7703	Intermediate Similarity	NPD6006	Clinical (unspecified phase)
0.7703	Intermediate Similarity	NPD6004	Phase 3
0.7698	Intermediate Similarity	NPD1608	Approved
0.7697	Intermediate Similarity	NPD642	Clinical (unspecified phase)
0.7692	Intermediate Similarity	NPD6801	Discontinued
0.7658	Intermediate Similarity	NPD4868	Clinical (unspecified phase)
0.7647	Intermediate Similarity	NPD1512	Approved
0.7643	Intermediate Similarity	NPD2393	Clinical (unspecified phase)
0.7643	Intermediate Similarity	NPD7096	Clinical (unspecified phase)
0.7639	Intermediate Similarity	NPD3764	Approved
0.7639	Intermediate Similarity	NPD2313	Discontinued
0.7635	Intermediate Similarity	NPD2935	Discontinued
0.7626	Intermediate Similarity	NPD1535	Discovery
0.761	Intermediate Similarity	NPD4381	Clinical (unspecified phase)
0.7597	Intermediate Similarity	NPD5403	Approved
0.7595	Intermediate Similarity	NPD3817	Phase 2
0.758	Intermediate Similarity	NPD1934	Approved
0.7571	Intermediate Similarity	NPD1481	Phase 2
0.7566	Intermediate Similarity	NPD643	Clinical (unspecified phase)
0.7564	Intermediate Similarity	NPD4380	Phase 2
0.755	Intermediate Similarity	NPD4628	Phase 3
0.7547	Intermediate Similarity	NPD3882	Suspended
0.7546	Intermediate Similarity	NPD7852	Clinical (unspecified phase)
0.7534	Intermediate Similarity	NPD4307	Phase 2
0.7532	Intermediate Similarity	NPD1465	Phase 2
0.7531	Intermediate Similarity	NPD7229	Phase 3
0.7517	Intermediate Similarity	NPD6798	Discontinued
0.75	Intermediate Similarity	NPD3226	Approved
0.75	Intermediate Similarity	NPD7473	Discontinued
0.75	Intermediate Similarity	NPD6832	Phase 2
0.7484	Intermediate Similarity	NPD4288	Approved
0.7484	Intermediate Similarity	NPD5402	Approved
0.7483	Intermediate Similarity	NPD447	Suspended
0.7482	Intermediate Similarity	NPD17	Approved
0.7468	Intermediate Similarity	NPD5401	Approved
0.7468	Intermediate Similarity	NPD7004	Clinical (unspecified phase)
0.7468	Intermediate Similarity	NPD37	Approved
0.7467	Intermediate Similarity	NPD2344	Approved
0.7467	Intermediate Similarity	NPD2343	Clinical (unspecified phase)
0.7455	Intermediate Similarity	NPD3818	Discontinued
0.7453	Intermediate Similarity	NPD6234	Discontinued
0.7448	Intermediate Similarity	NPD4625	Phase 3
0.7438	Intermediate Similarity	NPD4966	Approved
0.7438	Intermediate Similarity	NPD4965	Approved
0.7438	Intermediate Similarity	NPD4967	Phase 2
0.7432	Intermediate Similarity	NPD6651	Approved
0.7423	Intermediate Similarity	NPD6232	Discontinued
0.7417	Intermediate Similarity	NPD2424	Discontinued
0.741	Intermediate Similarity	NPD7286	Phase 2
0.741	Intermediate Similarity	NPD5844	Phase 1
0.7407	Intermediate Similarity	NPD5535	Approved
0.7397	Intermediate Similarity	NPD6410	Clinical (unspecified phase)
0.7379	Intermediate Similarity	NPD1529	Clinical (unspecified phase)
0.7379	Intermediate Similarity	NPD2614	Approved
0.7365	Intermediate Similarity	NPD230	Phase 1
0.7362	Intermediate Similarity	NPD7199	Phase 2
0.7361	Intermediate Similarity	NPD2798	Approved
0.7361	Intermediate Similarity	NPD5647	Approved
0.7353	Intermediate Similarity	NPD1241	Discontinued
0.7351	Intermediate Similarity	NPD2346	Discontinued
0.7347	Intermediate Similarity	NPD6233	Phase 2
0.7347	Intermediate Similarity	NPD8032	Phase 2
0.7338	Intermediate Similarity	NPD9545	Approved
0.7338	Intermediate Similarity	NPD1894	Discontinued
0.7325	Intermediate Similarity	NPD1653	Approved
0.7321	Intermediate Similarity	NPD5953	Discontinued
0.731	Intermediate Similarity	NPD2861	Phase 2
0.731	Intermediate Similarity	NPD1530	Clinical (unspecified phase)
0.7305	Intermediate Similarity	NPD3496	Discontinued
0.7305	Intermediate Similarity	NPD7804	Clinical (unspecified phase)
0.7301	Intermediate Similarity	NPD5494	Approved
0.7297	Intermediate Similarity	NPD4060	Phase 1
0.729	Intermediate Similarity	NPD6143	Clinical (unspecified phase)
0.729	Intermediate Similarity	NPD7837	Clinical (unspecified phase)
0.7284	Intermediate Similarity	NPD6971	Discontinued
0.7279	Intermediate Similarity	NPD411	Approved
0.7278	Intermediate Similarity	NPD6559	Discontinued
0.7273	Intermediate Similarity	NPD2309	Approved
0.7273	Intermediate Similarity	NPD7184	Clinical (unspecified phase)
0.7273	Intermediate Similarity	NPD9697	Approved
0.7267	Intermediate Similarity	NPD7097	Phase 1
0.7256	Intermediate Similarity	NPD6959	Discontinued
0.7246	Intermediate Similarity	NPD6671	Approved
0.7241	Intermediate Similarity	NPD1019	Discontinued
0.7239	Intermediate Similarity	NPD919	Approved
0.7235	Intermediate Similarity	NPD4338	Clinical (unspecified phase)
0.7235	Intermediate Similarity	NPD4419	Clinical (unspecified phase)
0.7234	Intermediate Similarity	NPD1778	Approved
0.7234	Intermediate Similarity	NPD4626	Approved
0.7229	Intermediate Similarity	NPD6168	Clinical (unspecified phase)
0.7229	Intermediate Similarity	NPD6167	Clinical (unspecified phase)
0.7229	Intermediate Similarity	NPD6166	Phase 2
0.7219	Intermediate Similarity	NPD7993	Clinical (unspecified phase)
0.7215	Intermediate Similarity	NPD2370	Clinical (unspecified phase)
0.7212	Intermediate Similarity	NPD5711	Approved
0.7212	Intermediate Similarity	NPD5710	Approved
0.7211	Intermediate Similarity	NPD7095	Approved
0.7202	Intermediate Similarity	NPD7054	Approved
0.7194	Intermediate Similarity	NPD9493	Approved
0.7183	Intermediate Similarity	NPD3847	Discontinued
0.7181	Intermediate Similarity	NPD1613	Approved
0.7181	Intermediate Similarity	NPD1612	Clinical (unspecified phase)
0.7176	Intermediate Similarity	NPD940	Approved
0.7176	Intermediate Similarity	NPD846	Approved
0.7172	Intermediate Similarity	NPD6362	Approved
0.7171	Intermediate Similarity	NPD4476	Approved
0.7171	Intermediate Similarity	NPD4477	Approved
0.7162	Intermediate Similarity	NPD1699	Clinical (unspecified phase)
0.716	Intermediate Similarity	NPD7472	Approved
0.716	Intermediate Similarity	NPD7074	Phase 3
0.7152	Intermediate Similarity	NPD6980	Clinical (unspecified phase)
0.7143	Intermediate Similarity	NPD7228	Approved
0.7133	Intermediate Similarity	NPD4618	Approved
0.7133	Intermediate Similarity	NPD4622	Approved
0.7133	Intermediate Similarity	NPD1899	Clinical (unspecified phase)
0.7118	Intermediate Similarity	NPD6797	Phase 2
0.7115	Intermediate Similarity	NPD6667	Approved
0.7115	Intermediate Similarity	NPD6666	Approved
0.7114	Intermediate Similarity	NPD4062	Phase 3
0.7103	Intermediate Similarity	NPD1283	Approved
0.7097	Intermediate Similarity	NPD4109	Clinical (unspecified phase)
0.7097	Intermediate Similarity	NPD7003	Approved
0.7097	Intermediate Similarity	NPD4110	Phase 3
0.7095	Intermediate Similarity	NPD3027	Phase 3
0.709	Intermediate Similarity	NPD3134	Approved
0.7089	Intermediate Similarity	NPD6273	Approved
0.7089	Intermediate Similarity	NPD5049	Phase 3
0.7086	Intermediate Similarity	NPD6653	Approved
0.7086	Intermediate Similarity	NPD4287	Approved
0.7076	Intermediate Similarity	NPD7251	Discontinued
0.7063	Intermediate Similarity	NPD5808	Clinical (unspecified phase)
0.7051	Intermediate Similarity	NPD2354	Approved
0.705	Intermediate Similarity	NPD690	Clinical (unspecified phase)
0.7048	Intermediate Similarity	NPD8127	Discontinued
0.7042	Intermediate Similarity	NPD5585	Approved
0.7042	Intermediate Similarity	NPD5691	Approved
0.7039	Intermediate Similarity	NPD5689	Approved
0.7039	Intermediate Similarity	NPD5688	Approved
0.7035	Intermediate Similarity	NPD7549	Discontinued

Structure

CID148738 OpenBabel06191715522D 29 31 0 0 1 0 0 0 0 0999 V2000 -5.7839 1.8090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6500 0.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1859 0.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3090 2.5691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4538 1.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4538 -0.6910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3198 -1.1910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6831 -1.6910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8171 -1.1910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4538 0.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9179 0.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0519 -1.1910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5491 -0.1910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7839 0.8090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1859 -0.6910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 1.6180 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5491 -1.1910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9179 -0.6910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8171 -0.1910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6831 0.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9511 1.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9511 0.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8171 1.8090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5878 0.8090 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4152 -1.6910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7839 -1.1910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8171 2.8090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6831 1.3090 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 14 1 0 0 0 0 2 14 1 0 0 0 0 3 15 1 0 0 0 0 4 16 1 0 0 0 0 6 7 1 0 0 0 0 6 10 1 0 0 0 0 7 15 1 0 0 0 0 8 9 2 0 0 0 0 8 17 1 0 0 0 0 9 19 1 0 0 0 0 10 24 1 0 0 0 0 11 14 2 0 0 0 0 11 18 1 0 0 0 0 12 15 2 0 0 0 0 12 18 1 0 0 0 0 13 17 2 0 0 0 0 13 20 1 0 0 0 0 16 21 1 0 0 0 0 16 24 1 1 0 0 0 17 25 1 0 0 0 0 18 26 2 0 0 0 0 19 20 2 0 0 0 0 19 22 1 0 0 0 0 20 28 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 22 29 1 0 0 0 0 23 27 2 0 0 0 0 23 28 1 0 0 0 0 24 5 1 1 0 0 0 24 29 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	5324512
ChEMBL	CHEMBL510366
ZINC

Physicochemical Properties

Molecular Weight:	396.19
ALogP:	1.4311
MLogP:	3.55
XLogP:	4.221
# Rotatable Bonds:	12
Polar Surface Area:	72.83
# H-Bond Aceptor:	3
# H-Bond Donor:	1
# Rings:	3
# Heavy Atoms:	29

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