NPASS Natural Product

Natural Product: NPC303519

Natural Product ID:	NPC303519
Common Name:	Steganacin
IUPAC Name:
Synonyms:	steganacin
Molecular Formula:	C24H24O9
Standard InCHIKey:	XJTXBUKLGQCZHC-VTBIZFIGSA-N
Standard InCHI:	InChI=1S/C24H24O9/c1-11(25)33-21-14-8-18-17(31-10-32-18)7-13(14)20-12(5-15-16(21)9-30-24(15)26)6-19(27-2)22(28-3)23(20)29-4/h6-8,15-16,21H,5,9-10H2,1-4H3/t15-,16?,21+/m0/s1
Canonical SMILES:	COc1cc2C[C@@H]3C(=O)OCC3[C@@H](c3c(c2c(c1OC)OC)cc1OCOc1c3)OC(=O)C
First Find Year:
Max Developmental Stage:
Synthetic Gene Cluster:	;

Species Source

Organism ID	Organism Name	Taxonomy Level	Family	SuperKingdom	Isolation Part	Reference
NPO22886	Steganotaenia araliacea	Species	Apiaceae	Eukaryota	Stem barks	PMID[8133298]
NPO11351	Stephania japonica	Species	Menispermaceae	Eukaryota		HerDing*
NPO22886	Steganotaenia araliacea	Species	Apiaceae	Eukaryota		HerDing*
NPO22886	Steganotaenia araliacea	Species	Apiaceae	Eukaryota		TCMID*
NPO11351	Stephania japonica	Species	Menispermaceae	Eukaryota		TCMID*

Biological Activity

Activity Type	# Activity
ED50	13
IC50	1
Ki	1
MIC	1
Others	10

Activity Type	# Activity
Cell Line	9
Organism	1
Others	13
Protein Family	3

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT91	Cell Line	KB	Homo sapiens	ED50	<	0.3	ug/ml	1992152
NPT561	Organism	Tetrahymena pyriformis	Tetrahymena pyriformis	MIC	>	20	ug/ml	1992152
NPT3014	Protein Family	Tubulin	Sus scrofa	IC50	=	3500	nM	7381854
NPT2	Others	Unspecified		Ratio		1.4		7381854
NPT3014	Protein Family	Tubulin	Sus scrofa	Ki	=	10500	nM	7381854
NPT3014	Protein Family	Tubulin	Sus scrofa	Ratio		1.8		7381854
NPT2	Others	Unspecified		ID50	=	0.006	nM	3598594
NPT2	Others	Unspecified		Activity	=	49	%	3598594
NPT1034	Cell Line	Lu1	Homo sapiens	ED50	=	0.4	ug/ml	8133298
NPT147	Cell Line	SK-MEL-2	Homo sapiens	ED50	>	20	ug/ml	8133298
NPT2	Others	Unspecified		ED50	=	0.1	ug/ml	8133298
NPT133	Cell Line	ZR-75-1	Homo sapiens	ED50	=	5	ug/ml	8133298
NPT2	Others	Unspecified		Activity	=	100	%	8133298
NPT2	Others	Unspecified		Activity	=	0	%	8133298
NPT2	Others	Unspecified		ED50	=	1.7	ug/ml	8133298
NPT762	Cell Line	A-431	Homo sapiens	ED50	=	0.2	ug/ml	8133298
NPT2	Others	Unspecified		ED50	=	0.6	ug/ml	8133298
NPT1851	Cell Line	Col2	Homo sapiens	ED50	=	0.4	ug/ml	8133298
NPT2049	Cell Line	HT	Homo sapiens	ED50	=	0.7	ug/ml	8133298
NPT91	Cell Line	KB	Homo sapiens	ED50	=	0.1	ug/ml	8133298
NPT2	Others	Unspecified		ED50	=	0.2	ug/ml	8133298
NPT858	Cell Line	LNCaP	Homo sapiens	ED50	=	0.9	ug/ml	8133298

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 NPC303519 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	295
0.1-0.2	1149
0.2-0.3	2288
0.3-0.4	5349
0.4-0.5	7706
0.5-0.6	3275
0.6-0.7	5646
0.7-0.8	4670
0.8-0.85	279
0.85-0.9	158
0.9-0.95	70
0.95-1	4

Similarity Score	Similarity Level	Natural Product ID
0.9795	High Similarity	NPC178195
0.9795	High Similarity	NPC348849
0.9514	High Similarity	NPC321696
0.9514	High Similarity	NPC321958
0.9456	High Similarity	NPC210642
0.9456	High Similarity	NPC13985
0.9452	High Similarity	NPC85141
0.9444	High Similarity	NPC327651
0.9444	High Similarity	NPC318286
0.9441	High Similarity	NPC76415
0.9441	High Similarity	NPC218510
0.9396	High Similarity	NPC273578
0.9388	High Similarity	NPC149505
0.9375	High Similarity	NPC326144
0.9371	High Similarity	NPC40237
0.9371	High Similarity	NPC151423
0.9329	High Similarity	NPC474514
0.9281	High Similarity	NPC258322
0.9281	High Similarity	NPC191352
0.9276	High Similarity	NPC325122
0.9272	High Similarity	NPC477380
0.9257	High Similarity	NPC316989
0.9257	High Similarity	NPC473989
0.9252	High Similarity	NPC477375
0.9252	High Similarity	NPC198129
0.9252	High Similarity	NPC327352
0.9252	High Similarity	NPC252281
0.9241	High Similarity	NPC475000
0.9241	High Similarity	NPC218841
0.9241	High Similarity	NPC92693
0.9241	High Similarity	NPC143092
0.9241	High Similarity	NPC18211
0.9236	High Similarity	NPC176586
0.9236	High Similarity	NPC210354
0.9211	High Similarity	NPC19947
0.9211	High Similarity	NPC477885
0.9211	High Similarity	NPC207584
0.9205	High Similarity	NPC238834
0.9189	High Similarity	NPC477374
0.9189	High Similarity	NPC477376
0.9189	High Similarity	NPC322426
0.9184	High Similarity	NPC101755
0.9184	High Similarity	NPC304687
0.9184	High Similarity	NPC65574
0.9184	High Similarity	NPC104024
0.9184	High Similarity	NPC80230
0.9172	High Similarity	NPC474288
0.9145	High Similarity	NPC32373
0.9145	High Similarity	NPC237946
0.9139	High Similarity	NPC198461
0.9139	High Similarity	NPC312763
0.9122	High Similarity	NPC316676
0.9122	High Similarity	NPC325720
0.9116	High Similarity	NPC193779
0.9116	High Similarity	NPC87295
0.911	High Similarity	NPC177644
0.911	High Similarity	NPC474036
0.911	High Similarity	NPC191158
0.9097	High Similarity	NPC61141
0.9091	High Similarity	NPC96593
0.9073	High Similarity	NPC474606
0.9067	High Similarity	NPC475756
0.906	High Similarity	NPC262455
0.906	High Similarity	NPC177476
0.906	High Similarity	NPC477698
0.9032	High Similarity	NPC288149
0.9032	High Similarity	NPC319749
0.9021	High Similarity	NPC32189
0.9021	High Similarity	NPC11453
0.902	High Similarity	NPC29727
0.9013	High Similarity	NPC473425
0.9007	High Similarity	NPC471154
0.9007	High Similarity	NPC56184
0.9007	High Similarity	NPC104353
0.8993	High Similarity	NPC304821
0.8987	High Similarity	NPC79322
0.8974	High Similarity	NPC280778
0.8968	High Similarity	NPC268718
0.8968	High Similarity	NPC91634
0.8968	High Similarity	NPC150943
0.8968	High Similarity	NPC119910
0.8966	High Similarity	NPC216434
0.8966	High Similarity	NPC103448
0.8961	High Similarity	NPC181168
0.8961	High Similarity	NPC163527
0.8961	High Similarity	NPC115281
0.8958	High Similarity	NPC865
0.8951	High Similarity	NPC72796
0.8951	High Similarity	NPC44245
0.8947	High Similarity	NPC53669
0.8947	High Similarity	NPC77237
0.8947	High Similarity	NPC16791
0.8947	High Similarity	NPC297271
0.8947	High Similarity	NPC308739
0.8947	High Similarity	NPC477377
0.8947	High Similarity	NPC126405
0.8947	High Similarity	NPC245948
0.8947	High Similarity	NPC24562
0.8947	High Similarity	NPC217708
0.894	High Similarity	NPC224472
0.894	High Similarity	NPC164082
0.8933	High Similarity	NPC293757
0.8933	High Similarity	NPC474965
0.8933	High Similarity	NPC477695
0.8933	High Similarity	NPC174512
0.8933	High Similarity	NPC668
0.8919	High Similarity	NPC475868
0.8919	High Similarity	NPC474158
0.8917	High Similarity	NPC475865
0.891	High Similarity	NPC152424
0.891	High Similarity	NPC100465
0.8903	High Similarity	NPC474043
0.8889	High Similarity	NPC136757
0.8882	High Similarity	NPC220577
0.8882	High Similarity	NPC475229
0.8882	High Similarity	NPC477378
0.8882	High Similarity	NPC477699
0.8881	High Similarity	NPC185680
0.8881	High Similarity	NPC145722
0.8881	High Similarity	NPC256776
0.8867	High Similarity	NPC40654
0.8867	High Similarity	NPC262804
0.8861	High Similarity	NPC222531
0.8861	High Similarity	NPC477884
0.8851	High Similarity	NPC172171
0.8851	High Similarity	NPC239254
0.8846	High Similarity	NPC474770
0.8846	High Similarity	NPC63061
0.8844	High Similarity	NPC474295
0.8844	High Similarity	NPC287124
0.8831	High Similarity	NPC476065
0.8819	High Similarity	NPC211386
0.8816	High Similarity	NPC477700
0.8816	High Similarity	NPC474975
0.8808	High Similarity	NPC145569
0.8808	High Similarity	NPC216223
0.8805	High Similarity	NPC118162
0.8805	High Similarity	NPC83049
0.8805	High Similarity	NPC320471
0.8797	High Similarity	NPC116759
0.8797	High Similarity	NPC14294
0.879	High Similarity	NPC115624
0.8784	High Similarity	NPC324962
0.8774	High Similarity	NPC473323
0.8766	High Similarity	NPC30009
0.8766	High Similarity	NPC103197
0.8765	High Similarity	NPC474568
0.8759	High Similarity	NPC209229
0.8759	High Similarity	NPC143895
0.875	High Similarity	NPC42230
0.875	High Similarity	NPC471180
0.875	High Similarity	NPC311912
0.8742	High Similarity	NPC474647
0.8742	High Similarity	NPC475953
0.8741	High Similarity	NPC261812
0.8741	High Similarity	NPC72046
0.8741	High Similarity	NPC65183
0.8733	High Similarity	NPC252286
0.8733	High Similarity	NPC154971
0.8726	High Similarity	NPC470637
0.8725	High Similarity	NPC166884
0.8725	High Similarity	NPC141569
0.8725	High Similarity	NPC477701
0.8718	High Similarity	NPC475592
0.8716	High Similarity	NPC103637
0.8716	High Similarity	NPC230538
0.8716	High Similarity	NPC36531
0.8716	High Similarity	NPC229172
0.871	High Similarity	NPC117154
0.871	High Similarity	NPC234730
0.8704	High Similarity	NPC178737
0.8696	High Similarity	NPC88557
0.8693	High Similarity	NPC32079
0.869	High Similarity	NPC49235
0.869	High Similarity	NPC148893
0.869	High Similarity	NPC25333
0.8688	High Similarity	NPC174734
0.8688	High Similarity	NPC474042
0.8688	High Similarity	NPC306475
0.8684	High Similarity	NPC125570
0.8681	High Similarity	NPC266848
0.8681	High Similarity	NPC136750
0.8681	High Similarity	NPC205915
0.8667	High Similarity	NPC477702
0.8654	High Similarity	NPC115123
0.8654	High Similarity	NPC239113
0.8654	High Similarity	NPC301897
0.8649	High Similarity	NPC312199
0.8642	High Similarity	NPC477883
0.8639	High Similarity	NPC290714
0.8639	High Similarity	NPC201404
0.8639	High Similarity	NPC53722
0.8634	High Similarity	NPC474948
0.8634	High Similarity	NPC185498
0.863	High Similarity	NPC121651
0.8621	High Similarity	NPC31530
0.8618	High Similarity	NPC477879
0.8611	High Similarity	NPC7744
0.8609	High Similarity	NPC3982
0.8609	High Similarity	NPC212890

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC303519 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	290
0.1-0.2	864
0.2-0.3	1643
0.3-0.4	2715
0.4-0.5	1935
0.5-0.6	1092
0.6-0.7	514
0.7-0.8	98
0.8-0.85	3
0.85-0.9	3
0.9-0.95	4
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.9145	High Similarity	NPD4966	Approved
0.9145	High Similarity	NPD4967	Phase 2
0.9145	High Similarity	NPD4965	Approved
0.9026	High Similarity	NPD6234	Discontinued
0.8947	High Similarity	NPD37	Approved
0.8634	High Similarity	NPD7228	Approved
0.8553	High Similarity	NPD7199	Phase 2
0.8447	Intermediate Similarity	NPD7184	Clinical (unspecified phase)
0.8424	Intermediate Similarity	NPD7240	Approved
0.8141	Intermediate Similarity	NPD6980	Clinical (unspecified phase)
0.7972	Intermediate Similarity	NPD3705	Approved
0.7849	Intermediate Similarity	NPD7090	Clinical (unspecified phase)
0.7834	Intermediate Similarity	NPD6143	Clinical (unspecified phase)
0.7751	Intermediate Similarity	NPD3818	Discontinued
0.7725	Intermediate Similarity	NPD6232	Discontinued
0.7722	Intermediate Similarity	NPD7237	Clinical (unspecified phase)
0.7711	Intermediate Similarity	NPD5494	Approved
0.7692	Intermediate Similarity	NPD7473	Discontinued
0.7636	Intermediate Similarity	NPD4868	Clinical (unspecified phase)
0.7613	Intermediate Similarity	NPD2438	Suspended
0.7602	Intermediate Similarity	NPD5844	Phase 1
0.76	Intermediate Similarity	NPD8055	Clinical (unspecified phase)
0.7576	Intermediate Similarity	NPD3817	Phase 2
0.7554	Intermediate Similarity	NPD7680	Approved
0.7515	Intermediate Similarity	NPD1465	Phase 2
0.7515	Intermediate Similarity	NPD7229	Phase 3
0.75	Intermediate Similarity	NPD5005	Approved
0.75	Intermediate Similarity	NPD6859	Clinical (unspecified phase)
0.75	Intermediate Similarity	NPD5006	Approved
0.7457	Intermediate Similarity	NPD7074	Phase 3
0.7434	Intermediate Similarity	NPD3027	Phase 3
0.7429	Intermediate Similarity	NPD4338	Clinical (unspecified phase)
0.7407	Intermediate Similarity	NPD1940	Clinical (unspecified phase)
0.7403	Intermediate Similarity	NPD2979	Phase 3
0.7399	Intermediate Similarity	NPD7054	Approved
0.7377	Intermediate Similarity	NPD4420	Approved
0.7371	Intermediate Similarity	NPD6559	Discontinued
0.7368	Intermediate Similarity	NPD3926	Phase 2
0.7356	Intermediate Similarity	NPD7472	Approved
0.7355	Intermediate Similarity	NPD6355	Discontinued
0.7349	Intermediate Similarity	NPD1934	Approved
0.7346	Intermediate Similarity	NPD2534	Approved
0.7346	Intermediate Similarity	NPD2532	Approved
0.7346	Intermediate Similarity	NPD2533	Approved
0.7337	Intermediate Similarity	NPD919	Approved
0.7325	Intermediate Similarity	NPD3748	Approved
0.7321	Intermediate Similarity	NPD3882	Suspended
0.7317	Intermediate Similarity	NPD1653	Approved
0.7312	Intermediate Similarity	NPD4110	Phase 3
0.7312	Intermediate Similarity	NPD4109	Clinical (unspecified phase)
0.731	Intermediate Similarity	NPD3787	Discontinued
0.7305	Intermediate Similarity	NPD7819	Suspended
0.7305	Intermediate Similarity	NPD8455	Phase 2
0.7303	Intermediate Similarity	NPD3018	Phase 2
0.7296	Intermediate Similarity	NPD970	Clinical (unspecified phase)
0.7267	Intermediate Similarity	NPD5242	Approved
0.7262	Intermediate Similarity	NPD5353	Approved
0.725	Intermediate Similarity	NPD6674	Discontinued
0.7248	Intermediate Similarity	NPD1281	Approved
0.7232	Intermediate Similarity	NPD7808	Phase 3
0.7222	Intermediate Similarity	NPD5283	Phase 1
0.7216	Intermediate Similarity	NPD6797	Phase 2
0.7202	Intermediate Similarity	NPD2801	Approved
0.7202	Intermediate Similarity	NPD2393	Clinical (unspecified phase)
0.72	Intermediate Similarity	NPD2981	Phase 2
0.7198	Intermediate Similarity	NPD7296	Approved
0.7182	Intermediate Similarity	NPD8397	Clinical (unspecified phase)
0.7179	Intermediate Similarity	NPD1612	Clinical (unspecified phase)
0.7179	Intermediate Similarity	NPD1613	Approved
0.7176	Intermediate Similarity	NPD4381	Clinical (unspecified phase)
0.7175	Intermediate Similarity	NPD7251	Discontinued
0.7175	Intermediate Similarity	NPD7685	Pre-registration
0.7152	Intermediate Similarity	NPD2982	Phase 2
0.7152	Intermediate Similarity	NPD2983	Phase 2
0.7151	Intermediate Similarity	NPD1247	Approved
0.7151	Intermediate Similarity	NPD8127	Discontinued
0.7134	Intermediate Similarity	NPD1933	Approved
0.7134	Intermediate Similarity	NPD7004	Clinical (unspecified phase)
0.7126	Intermediate Similarity	NPD7028	Phase 2
0.7126	Intermediate Similarity	NPD6166	Phase 2
0.7126	Intermediate Similarity	NPD6167	Clinical (unspecified phase)
0.7126	Intermediate Similarity	NPD6168	Clinical (unspecified phase)
0.7119	Intermediate Similarity	NPD7993	Clinical (unspecified phase)
0.7114	Intermediate Similarity	NPD17	Approved
0.7105	Intermediate Similarity	NPD1283	Approved
0.7099	Intermediate Similarity	NPD3750	Approved
0.7083	Intermediate Similarity	NPD7615	Clinical (unspecified phase)
0.7078	Intermediate Similarity	NPD1530	Clinical (unspecified phase)
0.7073	Intermediate Similarity	NPD6799	Approved
0.707	Intermediate Similarity	NPD4060	Phase 1
0.7063	Intermediate Similarity	NPD2796	Approved
0.7063	Intermediate Similarity	NPD2531	Phase 2
0.7059	Intermediate Similarity	NPD5402	Approved
0.7055	Intermediate Similarity	NPD5084	Clinical (unspecified phase)
0.7051	Intermediate Similarity	NPD6798	Discontinued
0.7048	Intermediate Similarity	NPD920	Approved
0.7047	Intermediate Similarity	NPD1651	Approved
0.7045	Intermediate Similarity	NPD3751	Discontinued
0.7032	Intermediate Similarity	NPD1529	Clinical (unspecified phase)
0.7025	Intermediate Similarity	NPD230	Phase 1
0.7024	Intermediate Similarity	NPD6599	Discontinued
0.7019	Intermediate Similarity	NPD6006	Clinical (unspecified phase)
0.7019	Intermediate Similarity	NPD7266	Discontinued
0.7019	Intermediate Similarity	NPD6004	Phase 3
0.7019	Intermediate Similarity	NPD6003	Clinical (unspecified phase)
0.7019	Intermediate Similarity	NPD6005	Phase 3
0.7019	Intermediate Similarity	NPD6002	Phase 3
0.7	Intermediate Similarity	NPD7096	Clinical (unspecified phase)
0.6994	Remote Similarity	NPD6398	Clinical (unspecified phase)
0.6982	Remote Similarity	NPD6385	Approved
0.6982	Remote Similarity	NPD6386	Approved
0.6977	Remote Similarity	NPD7075	Discontinued
0.6977	Remote Similarity	NPD7975	Clinical (unspecified phase)
0.6974	Remote Similarity	NPD7827	Phase 1
0.6974	Remote Similarity	NPD1608	Approved
0.6964	Remote Similarity	NPD6055	Clinical (unspecified phase)
0.6957	Remote Similarity	NPD6100	Approved
0.6957	Remote Similarity	NPD6099	Approved
0.6954	Remote Similarity	NPD6959	Discontinued
0.6951	Remote Similarity	NPD5307	Clinical (unspecified phase)
0.6951	Remote Similarity	NPD6190	Approved
0.6943	Remote Similarity	NPD1699	Clinical (unspecified phase)
0.6941	Remote Similarity	NPD6801	Discontinued
0.6937	Remote Similarity	NPD7097	Phase 1
0.6933	Remote Similarity	NPD5585	Approved
0.6933	Remote Similarity	NPD5691	Approved
0.6933	Remote Similarity	NPD1243	Approved
0.6928	Remote Similarity	NPD642	Clinical (unspecified phase)
0.6923	Remote Similarity	NPD4908	Phase 1
0.6923	Remote Similarity	NPD4380	Phase 2
0.6919	Remote Similarity	NPD7879	Clinical (unspecified phase)
0.6914	Remote Similarity	NPD5762	Approved
0.6914	Remote Similarity	NPD5763	Approved
0.6913	Remote Similarity	NPD5536	Phase 2
0.691	Remote Similarity	NPD7804	Clinical (unspecified phase)
0.6906	Remote Similarity	NPD8313	Approved
0.6906	Remote Similarity	NPD8312	Approved
0.6899	Remote Similarity	NPD6233	Phase 2
0.6899	Remote Similarity	NPD8032	Phase 2
0.689	Remote Similarity	NPD4628	Phase 3
0.689	Remote Similarity	NPD1878	Clinical (unspecified phase)
0.6886	Remote Similarity	NPD7314	Clinical (unspecified phase)
0.6879	Remote Similarity	NPD3749	Approved
0.6871	Remote Similarity	NPD2897	Discontinued
0.6867	Remote Similarity	NPD1511	Approved
0.6852	Remote Similarity	NPD3539	Phase 1
0.6852	Remote Similarity	NPD2935	Discontinued
0.6845	Remote Similarity	NPD5403	Approved
0.6839	Remote Similarity	NPD3266	Approved
0.6839	Remote Similarity	NPD3267	Approved
0.6839	Remote Similarity	NPD2797	Approved
0.6835	Remote Similarity	NPD4907	Clinical (unspecified phase)
0.6835	Remote Similarity	NPD1296	Phase 2
0.6826	Remote Similarity	NPD5401	Approved
0.6821	Remote Similarity	NPD7768	Phase 2
0.6821	Remote Similarity	NPD8151	Discontinued
0.6821	Remote Similarity	NPD1357	Approved
0.6818	Remote Similarity	NPD5710	Approved
0.6818	Remote Similarity	NPD5711	Approved
0.6815	Remote Similarity	NPD6832	Phase 2
0.6813	Remote Similarity	NPD447	Suspended
0.6811	Remote Similarity	NPD7235	Clinical (unspecified phase)
0.681	Remote Similarity	NPD3540	Phase 1
0.6807	Remote Similarity	NPD643	Clinical (unspecified phase)
0.6802	Remote Similarity	NPD5563	Clinical (unspecified phase)
0.68	Remote Similarity	NPD6746	Phase 2
0.6797	Remote Similarity	NPD1611	Approved
0.6797	Remote Similarity	NPD1610	Phase 2
0.6793	Remote Similarity	NPD8434	Phase 2
0.679	Remote Similarity	NPD7033	Discontinued
0.6786	Remote Similarity	NPD1512	Approved
0.6784	Remote Similarity	NPD7411	Suspended
0.6772	Remote Similarity	NPD4625	Phase 3
0.6766	Remote Similarity	NPD4357	Discontinued
0.6765	Remote Similarity	NPD5808	Clinical (unspecified phase)
0.6765	Remote Similarity	NPD7458	Discontinued
0.6763	Remote Similarity	NPD8443	Clinical (unspecified phase)
0.6763	Remote Similarity	NPD6374	Clinical (unspecified phase)
0.6757	Remote Similarity	NPD6843	Phase 3
0.6757	Remote Similarity	NPD6842	Approved
0.6757	Remote Similarity	NPD6841	Approved
0.6752	Remote Similarity	NPD2861	Phase 2
0.6748	Remote Similarity	NPD4477	Approved
0.6748	Remote Similarity	NPD4476	Approved
0.6748	Remote Similarity	NPD6032	Approved
0.6742	Remote Similarity	NPD4481	Phase 3
0.673	Remote Similarity	NPD3268	Approved
0.673	Remote Similarity	NPD3764	Approved
0.6726	Remote Similarity	NPD3146	Approved
0.6726	Remote Similarity	NPD3688	Clinical (unspecified phase)
0.6726	Remote Similarity	NPD4378	Clinical (unspecified phase)
0.671	Remote Similarity	NPD4359	Approved
0.6708	Remote Similarity	NPD1899	Clinical (unspecified phase)
0.6708	Remote Similarity	NPD4618	Approved
0.6708	Remote Similarity	NPD4622	Approved
0.6708	Remote Similarity	NPD3657	Discovery
0.6707	Remote Similarity	NPD1550	Clinical (unspecified phase)
0.6707	Remote Similarity	NPD2343	Clinical (unspecified phase)
0.6707	Remote Similarity	NPD1552	Clinical (unspecified phase)
0.6707	Remote Similarity	NPD7124	Phase 2

Structure

CID303519 OpenBabel06191716112D 33 37 0 0 1 0 0 0 0 0999 V2000 -2.5983 -1.9065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0583 5.7469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4417 6.6129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4417 4.8808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7346 2.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9417 4.0148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0148 2.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0148 0.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9877 -0.1564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4197 1.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2156 -0.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4417 3.1488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1488 2.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1488 1.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7346 1.4417 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4417 0.7346 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.8808 2.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8808 1.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4417 4.8808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4417 3.1488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4417 0.7346 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.4417 4.8808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9417 4.0148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1564 0.9877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2242 -0.8521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0474 1.4417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9417 5.7469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9417 5.7469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9417 4.0148 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 -5.8319 2.7507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8319 1.1327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8244 -0.1893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 2 27 1 0 0 0 0 3 28 1 0 0 0 0 4 29 1 0 0 0 0 5 12 1 0 0 0 0 6 12 2 0 0 0 0 6 19 1 0 0 0 0 7 13 2 0 0 0 0 7 17 1 0 0 0 0 8 14 2 0 0 0 0 8 18 1 0 0 0 0 9 16 1 0 0 0 0 9 30 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 25 2 0 0 0 0 11 33 1 0 0 0 0 12 20 1 0 0 0 0 13 14 1 0 0 0 0 13 20 1 0 0 0 0 14 21 1 0 0 0 0 15 5 1 6 0 0 0 15 16 1 0 0 0 0 15 24 1 0 0 0 0 16 21 1 0 0 0 0 17 18 2 0 0 0 0 17 31 1 0 0 0 0 18 32 1 0 0 0 0 19 22 2 0 0 0 0 19 27 1 0 0 0 0 20 23 2 0 0 0 0 21 33 1 6 0 0 0 22 23 1 0 0 0 0 22 28 1 0 0 0 0 23 29 1 0 0 0 0 24 26 2 0 0 0 0 24 30 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	44367762
ChEMBL	CHEMBL357525
ZINC

Physicochemical Properties

Molecular Weight:	456.14
ALogP:	-0.7988
MLogP:	3.11
XLogP:	1.814
# Rotatable Bonds:	9
Polar Surface Area:	98.75
# H-Bond Aceptor:	4
# H-Bond Donor:	0
# Rings:	5
# Heavy Atoms:	33

Download Data

Data Type	Select
General Info & Identifiers & Properties
Structure MOL file
Source Organisms
Biological Activities
Similar NPs/Drugs