NPASS Natural Product

Natural Product: NPC474191

Natural Product ID:	NPC474191
Common Name:	Siphonodictyal C
IUPAC Name:	sodium;[6-[[(1S,4aS,8aS)-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methyl]-2-formyl-3,4-dihydroxyphenyl] sulfate
Synonyms:	Siphonodictyal C
Molecular Formula:	C22H30O7S.Na
Standard InCHIKey:	OBZGWTUHUUZXCJ-FNKCKCLTSA-M
Standard InCHI:	InChI=1S/C22H30O7S.Na/c1-13-6-7-18-21(2,3)8-5-9-22(18,4)16(13)10-14-11-17(24)19(25)15(12-23)20(14)29-30(26,27)28;/h6,11-12,16,18,24-25H,5,7-10H2,1-4H3,(H,26,27,28);/q;+1/p-1/t16-,18-,22+;/m0./s1
Canonical SMILES:	O=Cc1c(OS(=O)(=O)O)c(C[C@H]2C(=CC[C@@H]3[C@]2(C)CCCC3(C)C)C)cc(c1O)[O-].[Na+]
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
NPO33160	aka sp.	Species	NA	NA		Micronesia		PMID[12762808]

Biological Activity

Activity Type	# Activity
IC50	1

Activity Type	# Activity
Individual Protein	1

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT2213	Individual Protein	Cyclin-dependent kinase 4	Homo sapiens	IC50	=	9	ug/ml	10.1039/C4MD00301B

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 NPC474191 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	265
0.1-0.2	1200
0.2-0.3	2240
0.3-0.4	5416
0.4-0.5	8091
0.5-0.6	3505
0.6-0.7	6092
0.7-0.8	3952
0.8-0.85	119
0.85-0.9	6
0.9-0.95	0
0.95-1	3

Similarity Score	Similarity Level	Natural Product ID
0.9861	High Similarity	NPC476532
0.9726	High Similarity	NPC476533
0.9583	High Similarity	NPC476535
0.8816	High Similarity	NPC48949
0.8776	High Similarity	NPC476534
0.8639	High Similarity	NPC141368
0.8639	High Similarity	NPC206207
0.8591	High Similarity	NPC187843
0.8591	High Similarity	NPC92079
0.8477	Intermediate Similarity	NPC199936
0.8366	Intermediate Similarity	NPC68441
0.8355	Intermediate Similarity	NPC238629
0.8278	Intermediate Similarity	NPC471853
0.8267	Intermediate Similarity	NPC123714
0.8255	Intermediate Similarity	NPC194764
0.8255	Intermediate Similarity	NPC264112
0.8255	Intermediate Similarity	NPC65005
0.8219	Intermediate Similarity	NPC244441
0.8214	Intermediate Similarity	NPC478050
0.821	Intermediate Similarity	NPC32694
0.821	Intermediate Similarity	NPC472275
0.82	Intermediate Similarity	NPC290030
0.8194	Intermediate Similarity	NPC63918
0.8188	Intermediate Similarity	NPC475917
0.8187	Intermediate Similarity	NPC474167
0.8187	Intermediate Similarity	NPC470762
0.8182	Intermediate Similarity	NPC244691
0.8176	Intermediate Similarity	NPC477047
0.8176	Intermediate Similarity	NPC477048
0.8171	Intermediate Similarity	NPC473286
0.817	Intermediate Similarity	NPC474961
0.817	Intermediate Similarity	NPC291078
0.8163	Intermediate Similarity	NPC85342
0.816	Intermediate Similarity	NPC470694
0.8158	Intermediate Similarity	NPC203063
0.8148	Intermediate Similarity	NPC45146
0.8148	Intermediate Similarity	NPC155302
0.8148	Intermediate Similarity	NPC161947
0.8148	Intermediate Similarity	NPC235018
0.8146	Intermediate Similarity	NPC230811
0.8141	Intermediate Similarity	NPC10842
0.8129	Intermediate Similarity	NPC258856
0.8125	Intermediate Similarity	NPC130589
0.8125	Intermediate Similarity	NPC134287
0.8121	Intermediate Similarity	NPC474117
0.8121	Intermediate Similarity	NPC474224
0.8113	Intermediate Similarity	NPC161778
0.811	Intermediate Similarity	NPC101769
0.811	Intermediate Similarity	NPC472278
0.811	Intermediate Similarity	NPC473313
0.811	Intermediate Similarity	NPC220313
0.811	Intermediate Similarity	NPC329669
0.8108	Intermediate Similarity	NPC175738
0.8105	Intermediate Similarity	NPC472904
0.8101	Intermediate Similarity	NPC280295
0.8098	Intermediate Similarity	NPC87431
0.8098	Intermediate Similarity	NPC278427
0.8095	Intermediate Similarity	NPC62219
0.8095	Intermediate Similarity	NPC471969
0.8092	Intermediate Similarity	NPC143438
0.8092	Intermediate Similarity	NPC472903
0.8092	Intermediate Similarity	NPC162939
0.8086	Intermediate Similarity	NPC197856
0.8086	Intermediate Similarity	NPC185258
0.8086	Intermediate Similarity	NPC172770
0.8079	Intermediate Similarity	NPC53001
0.8075	Intermediate Similarity	NPC142339
0.8072	Intermediate Similarity	NPC478059
0.8072	Intermediate Similarity	NPC470377
0.8072	Intermediate Similarity	NPC478060
0.8072	Intermediate Similarity	NPC471975
0.8072	Intermediate Similarity	NPC470374
0.8067	Intermediate Similarity	NPC14377
0.8067	Intermediate Similarity	NPC290803
0.8067	Intermediate Similarity	NPC129752
0.8065	Intermediate Similarity	NPC10764
0.8063	Intermediate Similarity	NPC273248
0.8063	Intermediate Similarity	NPC93552
0.8054	Intermediate Similarity	NPC138472
0.8052	Intermediate Similarity	NPC248068
0.8052	Intermediate Similarity	NPC135524
0.805	Intermediate Similarity	NPC75377
0.805	Intermediate Similarity	NPC221249
0.8041	Intermediate Similarity	NPC291001
0.8039	Intermediate Similarity	NPC181560
0.8039	Intermediate Similarity	NPC169452
0.8037	Intermediate Similarity	NPC56085
0.8037	Intermediate Similarity	NPC119224
0.8037	Intermediate Similarity	NPC228785
0.8037	Intermediate Similarity	NPC84571
0.8037	Intermediate Similarity	NPC14353
0.8037	Intermediate Similarity	NPC80375
0.8037	Intermediate Similarity	NPC297212
0.8036	Intermediate Similarity	NPC307286
0.8026	Intermediate Similarity	NPC87723
0.8025	Intermediate Similarity	NPC78103
0.8025	Intermediate Similarity	NPC179732
0.8025	Intermediate Similarity	NPC236796
0.8025	Intermediate Similarity	NPC469584
0.8025	Intermediate Similarity	NPC79053
0.8014	Intermediate Similarity	NPC471530
0.8014	Intermediate Similarity	NPC476536
0.8013	Intermediate Similarity	NPC223836
0.8013	Intermediate Similarity	NPC75295
0.8013	Intermediate Similarity	NPC7464
0.8013	Intermediate Similarity	NPC191976
0.8013	Intermediate Similarity	NPC471690
0.8012	Intermediate Similarity	NPC68727
0.8012	Intermediate Similarity	NPC113906
0.8012	Intermediate Similarity	NPC39184
0.8012	Intermediate Similarity	NPC472048
0.8	Intermediate Similarity	NPC270837
0.8	Intermediate Similarity	NPC474394
0.8	Intermediate Similarity	NPC475088
0.8	Intermediate Similarity	NPC12070
0.8	Intermediate Similarity	NPC470338
0.8	Intermediate Similarity	NPC470337
0.8	Intermediate Similarity	NPC470340
0.8	Intermediate Similarity	NPC51824
0.8	Intermediate Similarity	NPC282780
0.8	Intermediate Similarity	NPC166480
0.8	Intermediate Similarity	NPC236132
0.8	Intermediate Similarity	NPC476295
0.8	Intermediate Similarity	NPC474519
0.8	Intermediate Similarity	NPC131799
0.8	Intermediate Similarity	NPC113608
0.8	Intermediate Similarity	NPC7483
0.8	Intermediate Similarity	NPC268992
0.7988	Intermediate Similarity	NPC40491
0.7988	Intermediate Similarity	NPC278052
0.7988	Intermediate Similarity	NPC266314
0.7988	Intermediate Similarity	NPC61010
0.7988	Intermediate Similarity	NPC311740
0.7987	Intermediate Similarity	NPC470037
0.7987	Intermediate Similarity	NPC305845
0.7987	Intermediate Similarity	NPC10467
0.7987	Intermediate Similarity	NPC204045
0.7987	Intermediate Similarity	NPC135801
0.7975	Intermediate Similarity	NPC46736
0.7975	Intermediate Similarity	NPC85121
0.7975	Intermediate Similarity	NPC100123
0.7975	Intermediate Similarity	NPC238279
0.7975	Intermediate Similarity	NPC203077
0.7975	Intermediate Similarity	NPC329091
0.7975	Intermediate Similarity	NPC471907
0.7975	Intermediate Similarity	NPC166036
0.7974	Intermediate Similarity	NPC138099
0.7974	Intermediate Similarity	NPC190457
0.7974	Intermediate Similarity	NPC242994
0.7973	Intermediate Similarity	NPC233056
0.7961	Intermediate Similarity	NPC277559
0.7961	Intermediate Similarity	NPC471905
0.7961	Intermediate Similarity	NPC147418
0.7961	Intermediate Similarity	NPC170742
0.7952	Intermediate Similarity	NPC25361
0.7952	Intermediate Similarity	NPC156432
0.7952	Intermediate Similarity	NPC326520
0.795	Intermediate Similarity	NPC89474
0.795	Intermediate Similarity	NPC124714
0.795	Intermediate Similarity	NPC250557
0.795	Intermediate Similarity	NPC107109
0.7949	Intermediate Similarity	NPC471906
0.7947	Intermediate Similarity	NPC249272
0.7947	Intermediate Similarity	NPC278375
0.7945	Intermediate Similarity	NPC49647
0.7945	Intermediate Similarity	NPC227741
0.7945	Intermediate Similarity	NPC136342
0.7945	Intermediate Similarity	NPC295202
0.7939	Intermediate Similarity	NPC294965
0.7939	Intermediate Similarity	NPC215612
0.7937	Intermediate Similarity	NPC19980
0.7937	Intermediate Similarity	NPC45291
0.7937	Intermediate Similarity	NPC227485
0.7937	Intermediate Similarity	NPC35
0.7935	Intermediate Similarity	NPC471971
0.7935	Intermediate Similarity	NPC193555
0.7935	Intermediate Similarity	NPC469855
0.7935	Intermediate Similarity	NPC73061
0.7935	Intermediate Similarity	NPC30846
0.7935	Intermediate Similarity	NPC471972
0.7933	Intermediate Similarity	NPC114183
0.7933	Intermediate Similarity	NPC267205
0.7933	Intermediate Similarity	NPC111845
0.7933	Intermediate Similarity	NPC4170
0.7927	Intermediate Similarity	NPC474287
0.7927	Intermediate Similarity	NPC320359
0.7927	Intermediate Similarity	NPC475886
0.7927	Intermediate Similarity	NPC476283
0.7927	Intermediate Similarity	NPC476280
0.7925	Intermediate Similarity	NPC38545
0.7925	Intermediate Similarity	NPC171916
0.7919	Intermediate Similarity	NPC469526
0.7919	Intermediate Similarity	NPC41847
0.7919	Intermediate Similarity	NPC34070
0.7914	Intermediate Similarity	NPC96167
0.7914	Intermediate Similarity	NPC262286
0.7914	Intermediate Similarity	NPC44199
0.7914	Intermediate Similarity	NPC223787
0.7914	Intermediate Similarity	NPC199463
0.7914	Intermediate Similarity	NPC245758

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC474191 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	305
0.1-0.2	911
0.2-0.3	1614
0.3-0.4	2893
0.4-0.5	2049
0.5-0.6	1011
0.6-0.7	322
0.7-0.8	55
0.8-0.85	1
0.85-0.9	0
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.8366	Intermediate Similarity	NPD7422	Clinical (unspecified phase)
0.7987	Intermediate Similarity	NPD943	Approved
0.7895	Intermediate Similarity	NPD1509	Clinical (unspecified phase)
0.784	Intermediate Similarity	NPD2393	Clinical (unspecified phase)
0.7778	Intermediate Similarity	NPD651	Clinical (unspecified phase)
0.773	Intermediate Similarity	NPD2801	Approved
0.7722	Intermediate Similarity	NPD7390	Discontinued
0.7619	Intermediate Similarity	NPD6232	Discontinued
0.7588	Intermediate Similarity	NPD7473	Discontinued
0.7561	Intermediate Similarity	NPD1934	Approved
0.74	Intermediate Similarity	NPD1470	Approved
0.7396	Intermediate Similarity	NPD5494	Approved
0.7391	Intermediate Similarity	NPD1511	Approved
0.7389	Intermediate Similarity	NPD2935	Discontinued
0.7389	Intermediate Similarity	NPD5405	Approved
0.7389	Intermediate Similarity	NPD5404	Approved
0.7389	Intermediate Similarity	NPD5406	Approved
0.7389	Intermediate Similarity	NPD5408	Approved
0.7365	Intermediate Similarity	NPD1201	Approved
0.7355	Intermediate Similarity	NPD230	Phase 1
0.7346	Intermediate Similarity	NPD2534	Approved
0.7346	Intermediate Similarity	NPD2532	Approved
0.7346	Intermediate Similarity	NPD2533	Approved
0.7329	Intermediate Similarity	NPD3300	Phase 2
0.7321	Intermediate Similarity	NPD3882	Suspended
0.7315	Intermediate Similarity	NPD9269	Phase 2
0.7312	Intermediate Similarity	NPD8166	Discontinued
0.7301	Intermediate Similarity	NPD1512	Approved
0.7239	Intermediate Similarity	NPD4378	Clinical (unspecified phase)
0.7229	Intermediate Similarity	NPD4380	Phase 2
0.7225	Intermediate Similarity	NPD6166	Phase 2
0.7225	Intermediate Similarity	NPD6168	Clinical (unspecified phase)
0.7225	Intermediate Similarity	NPD6167	Clinical (unspecified phase)
0.7219	Intermediate Similarity	NPD4868	Clinical (unspecified phase)
0.72	Intermediate Similarity	NPD5844	Phase 1
0.7188	Intermediate Similarity	NPD970	Clinical (unspecified phase)
0.7151	Intermediate Similarity	NPD6959	Discontinued
0.7143	Intermediate Similarity	NPD3818	Discontinued
0.7143	Intermediate Similarity	NPD2800	Approved
0.7135	Intermediate Similarity	NPD6234	Discontinued
0.7114	Intermediate Similarity	NPD2932	Approved
0.7107	Intermediate Similarity	NPD1510	Phase 2
0.7101	Intermediate Similarity	NPD7819	Suspended
0.7089	Intermediate Similarity	NPD6651	Approved
0.7088	Intermediate Similarity	NPD8397	Clinical (unspecified phase)
0.7079	Intermediate Similarity	NPD6559	Discontinued
0.7067	Intermediate Similarity	NPD3023	Approved
0.7067	Intermediate Similarity	NPD3026	Approved
0.7062	Intermediate Similarity	NPD7074	Phase 3
0.7059	Intermediate Similarity	NPD3817	Phase 2
0.7059	Intermediate Similarity	NPD8443	Clinical (unspecified phase)
0.7047	Intermediate Similarity	NPD9268	Approved
0.7041	Intermediate Similarity	NPD37	Approved
0.7039	Intermediate Similarity	NPD4338	Clinical (unspecified phase)
0.7006	Intermediate Similarity	NPD7054	Approved
0.7	Intermediate Similarity	NPD3019	Approved
0.6994	Remote Similarity	NPD6398	Clinical (unspecified phase)
0.6981	Remote Similarity	NPD1607	Approved
0.6977	Remote Similarity	NPD7075	Discontinued
0.6966	Remote Similarity	NPD7472	Approved
0.6962	Remote Similarity	NPD1240	Approved
0.6959	Remote Similarity	NPD405	Clinical (unspecified phase)
0.6954	Remote Similarity	NPD1247	Approved
0.6948	Remote Similarity	NPD1164	Approved
0.6944	Remote Similarity	NPD4750	Phase 3
0.6933	Remote Similarity	NPD3025	Approved
0.6933	Remote Similarity	NPD3024	Approved
0.6927	Remote Similarity	NPD6797	Phase 2
0.6923	Remote Similarity	NPD6599	Discontinued
0.6919	Remote Similarity	NPD7768	Phase 2
0.6919	Remote Similarity	NPD4965	Approved
0.6919	Remote Similarity	NPD4967	Phase 2
0.6919	Remote Similarity	NPD4966	Approved
0.6914	Remote Similarity	NPD1552	Clinical (unspecified phase)
0.6914	Remote Similarity	NPD1550	Clinical (unspecified phase)
0.6901	Remote Similarity	NPD1465	Phase 2
0.6901	Remote Similarity	NPD7096	Clinical (unspecified phase)
0.6889	Remote Similarity	NPD7251	Discontinued
0.6885	Remote Similarity	NPD8150	Discontinued
0.6871	Remote Similarity	NPD1549	Phase 2
0.686	Remote Similarity	NPD5402	Approved
0.6854	Remote Similarity	NPD7228	Approved
0.6852	Remote Similarity	NPD1551	Phase 2
0.6852	Remote Similarity	NPD6100	Approved
0.6852	Remote Similarity	NPD6099	Approved
0.6848	Remote Similarity	NPD6190	Approved
0.6839	Remote Similarity	NPD3094	Phase 2
0.6828	Remote Similarity	NPD3022	Approved
0.6828	Remote Similarity	NPD3021	Approved
0.6826	Remote Similarity	NPD7410	Clinical (unspecified phase)
0.6821	Remote Similarity	NPD4196	Clinical (unspecified phase)
0.6818	Remote Similarity	NPD5711	Approved
0.6818	Remote Similarity	NPD5710	Approved
0.6793	Remote Similarity	NPD8434	Phase 2
0.679	Remote Similarity	NPD3299	Clinical (unspecified phase)
0.6788	Remote Similarity	NPD3750	Approved
0.6784	Remote Similarity	NPD7411	Suspended
0.6782	Remote Similarity	NPD4381	Clinical (unspecified phase)
0.6772	Remote Similarity	NPD3027	Phase 3
0.6758	Remote Similarity	NPD4954	Approved
0.6758	Remote Similarity	NPD36	Approved
0.6758	Remote Similarity	NPD4955	Approved
0.6758	Remote Similarity	NPD5026	Approved
0.6758	Remote Similarity	NPD5034	Approved
0.6758	Remote Similarity	NPD5028	Approved
0.6758	Remote Similarity	NPD7808	Phase 3
0.6752	Remote Similarity	NPD9494	Approved
0.6748	Remote Similarity	NPD2796	Approved
0.6744	Remote Similarity	NPD6801	Discontinued
0.674	Remote Similarity	NPD7993	Clinical (unspecified phase)
0.6738	Remote Similarity	NPD7879	Clinical (unspecified phase)
0.6722	Remote Similarity	NPD7804	Clinical (unspecified phase)
0.6707	Remote Similarity	NPD2346	Discontinued
0.6703	Remote Similarity	NPD5030	Phase 2
0.6703	Remote Similarity	NPD5037	Approved
0.6703	Remote Similarity	NPD5038	Approved
0.6688	Remote Similarity	NPD6917	Clinical (unspecified phase)
0.6688	Remote Similarity	NPD3092	Approved
0.6687	Remote Similarity	NPD1878	Clinical (unspecified phase)
0.6687	Remote Similarity	NPD6663	Approved
0.6687	Remote Similarity	NPD7003	Approved
0.6687	Remote Similarity	NPD2799	Discontinued
0.6667	Remote Similarity	NPD3095	Discontinued
0.6667	Remote Similarity	NPD3226	Approved
0.6667	Remote Similarity	NPD6799	Approved
0.6649	Remote Similarity	NPD8055	Clinical (unspecified phase)
0.6649	Remote Similarity	NPD5036	Approved
0.6648	Remote Similarity	NPD7852	Clinical (unspecified phase)
0.6648	Remote Similarity	NPD919	Approved
0.6646	Remote Similarity	NPD5736	Approved
0.6646	Remote Similarity	NPD1612	Clinical (unspecified phase)
0.6646	Remote Similarity	NPD1613	Approved
0.6646	Remote Similarity	NPD1530	Clinical (unspecified phase)
0.663	Remote Similarity	NPD5035	Approved
0.6625	Remote Similarity	NPD6410	Clinical (unspecified phase)
0.6612	Remote Similarity	NPD5027	Approved
0.6612	Remote Similarity	NPD5031	Approved
0.6612	Remote Similarity	NPD5029	Approved
0.6605	Remote Similarity	NPD447	Suspended
0.6604	Remote Similarity	NPD1529	Clinical (unspecified phase)
0.6587	Remote Similarity	NPD4628	Phase 3
0.658	Remote Similarity	NPD7501	Clinical (unspecified phase)
0.6579	Remote Similarity	NPD6535	Approved
0.6579	Remote Similarity	NPD6534	Approved
0.6577	Remote Similarity	NPD7635	Approved
0.6571	Remote Similarity	NPD8438	Clinical (unspecified phase)
0.657	Remote Similarity	NPD7458	Discontinued
0.6557	Remote Similarity	NPD5953	Discontinued
0.655	Remote Similarity	NPD920	Approved
0.6543	Remote Similarity	NPD3620	Phase 2
0.6543	Remote Similarity	NPD3619	Clinical (unspecified phase)
0.6541	Remote Similarity	NPD8313	Approved
0.6541	Remote Similarity	NPD8312	Approved
0.6538	Remote Similarity	NPD6020	Phase 2
0.6536	Remote Similarity	NPD7229	Phase 3
0.6536	Remote Similarity	NPD3091	Approved
0.6522	Remote Similarity	NPD4907	Clinical (unspecified phase)
0.6522	Remote Similarity	NPD3764	Approved
0.6514	Remote Similarity	NPD5761	Phase 2
0.6514	Remote Similarity	NPD5760	Phase 2
0.6513	Remote Similarity	NPD9493	Approved
0.65	Remote Similarity	NPD3926	Phase 2
0.6497	Remote Similarity	NPD3749	Approved
0.6495	Remote Similarity	NPD6780	Approved
0.6495	Remote Similarity	NPD6778	Approved
0.6495	Remote Similarity	NPD6776	Approved
0.6495	Remote Similarity	NPD6777	Approved
0.6495	Remote Similarity	NPD6779	Approved
0.6495	Remote Similarity	NPD6782	Approved
0.6495	Remote Similarity	NPD6781	Approved
0.6486	Remote Similarity	NPD4419	Clinical (unspecified phase)
0.6486	Remote Similarity	NPD5032	Approved
0.6485	Remote Similarity	NPD3748	Approved
0.648	Remote Similarity	NPD7199	Phase 2
0.648	Remote Similarity	NPD8127	Discontinued
0.6478	Remote Similarity	NPD2798	Approved
0.6477	Remote Similarity	NPD7699	Phase 2
0.6477	Remote Similarity	NPD7700	Phase 2
0.6474	Remote Similarity	NPD5808	Clinical (unspecified phase)
0.6474	Remote Similarity	NPD5968	Phase 3
0.6458	Remote Similarity	NPD940	Approved
0.6458	Remote Similarity	NPD846	Approved
0.6453	Remote Similarity	NPD6980	Clinical (unspecified phase)
0.6453	Remote Similarity	NPD5403	Approved
0.6448	Remote Similarity	NPD7286	Phase 2
0.6437	Remote Similarity	NPD7028	Phase 2
0.6433	Remote Similarity	NPD642	Clinical (unspecified phase)
0.6432	Remote Similarity	NPD7240	Approved
0.6429	Remote Similarity	NPD7421	Clinical (unspecified phase)
0.6429	Remote Similarity	NPD6823	Phase 2
0.642	Remote Similarity	NPD2313	Discontinued
0.6419	Remote Similarity	NPD74	Approved
0.6419	Remote Similarity	NPD9266	Approved
0.6417	Remote Similarity	NPD7090	Clinical (unspecified phase)
0.6416	Remote Similarity	NPD1653	Approved
0.6414	Remote Similarity	NPD7211	Clinical (unspecified phase)
0.6409	Remote Similarity	NPD7184	Clinical (unspecified phase)
0.6407	Remote Similarity	NPD7266	Discontinued
0.64	Remote Similarity	NPD8151	Discontinued
0.6398	Remote Similarity	NPD4908	Phase 1

Structure

NPC474191 OpenBabel07101718222D 30 32 0 0 1 0 0 0 0 0999 V2000 5.3660 -4.9641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5000 -5.4641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3660 -5.9641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 -3.2321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3660 -3.2321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 -5.8301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.8301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 -4.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 -3.2321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3660 -3.2321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8660 -4.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3660 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3660 -4.9641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3660 -3.2321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8660 -2.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 -4.0981 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.8660 -4.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 -4.9641 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.3660 -3.2321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8660 -2.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3660 -4.9641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.0981 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.3660 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3660 -4.9641 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 8.3660 -3.2321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3660 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3660 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3660 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3660 -1.5000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 2 21 1 0 0 0 0 3 21 1 0 0 0 0 4 22 1 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 6 13 2 0 0 0 0 7 18 1 0 0 0 0 8 21 1 0 0 0 0 9 22 1 0 0 0 0 10 14 1 0 0 0 0 10 16 1 0 0 0 0 11 14 2 0 0 0 0 11 17 1 0 0 0 0 12 15 1 0 0 0 0 12 23 2 0 0 0 0 13 16 1 0 0 0 0 14 20 1 0 0 0 0 15 19 1 0 0 0 0 15 20 2 0 0 0 0 16 22 1 0 0 0 0 17 19 2 0 0 0 0 17 24 1 0 0 0 0 18 21 1 0 0 0 0 18 22 1 0 0 0 0 19 25 1 0 0 0 0 20 29 1 0 0 0 0 26 30 1 0 0 0 0 27 30 2 0 0 0 0 28 30 2 0 0 0 0 29 30 1 0 0 0 0 M CHG 1 24 -1 M END $$$$

External Identifiers

PubChem CID	44566740
ChEMBL	CHEMBL463316
ZINC

Physicochemical Properties

Molecular Weight:	437.16
ALogP:	0.1033
MLogP:	3
XLogP:	5.32
# Rotatable Bonds:	12
Polar Surface Area:	132.34
# H-Bond Aceptor:	4
# H-Bond Donor:	2
# Rings:	3
# Heavy Atoms:	30

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