NPASS Natural Product

Natural Product: NPC474861

Natural Product ID:	NPC474861
Common Name:	11-Hydroxysulfurmycinone
IUPAC Name:	methyl (1R,2S,4S)-2,4,5,7,12-pentahydroxy-6,11-dioxo-2-(2-oxopropyl)-3,4-dihydro-1H-tetracene-1-carboxylate
Synonyms:	11-Hydroxysulfurmycinone
Molecular Formula:	C23H20O10
Standard InCHIKey:	SSGMOZLPXXJLNJ-RLAVILMUSA-N
Standard InCHI:	InChI=1S/C23H20O10/c1-8(24)6-23(32)7-11(26)13-14(17(23)22(31)33-2)21(30)15-16(20(13)29)19(28)12-9(18(15)27)4-3-5-10(12)25/h3-5,11,17,25-26,29-30,32H,6-7H2,1-2H3/t11-,17-,23+/m0/s1
Canonical SMILES:	COC(=O)[C@@H]1c2c(O)c3C(=O)c4cccc(c4C(=O)c3c(c2[C@H](C[C@]1(O)CC(=O)C)O)O)O
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
NPO30376	Streptomyces sp.	Species	Streptomycetaceae	Bacteria		Australia		PMID[15497950]

Biological Activity

Activity Type	# Activity
Others	1

Activity Type	# Activity
Organism	1

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT79	Organism	Bacillus subtilis	Bacillus subtilis	LD99	=	13	ug/ml	25585025

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 NPC474861 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	269
0.1-0.2	1076
0.2-0.3	2009
0.3-0.4	4204
0.4-0.5	7430
0.5-0.6	5363
0.6-0.7	4716
0.7-0.8	5289
0.8-0.85	435
0.85-0.9	90
0.9-0.95	3
0.95-1	5

Similarity Score	Similarity Level	Natural Product ID
0.9865	High Similarity	NPC218870
0.9865	High Similarity	NPC474824
0.9865	High Similarity	NPC470408
0.9865	High Similarity	NPC182921
0.9662	High Similarity	NPC315520
0.9133	High Similarity	NPC314437
0.9045	High Similarity	NPC284495
0.9032	High Similarity	NPC66029
0.8986	High Similarity	NPC315578
0.8919	High Similarity	NPC26924
0.8816	High Similarity	NPC471683
0.8797	High Similarity	NPC317580
0.879	High Similarity	NPC318270
0.8774	High Similarity	NPC205766
0.8758	High Similarity	NPC285122
0.8742	High Similarity	NPC326084
0.8742	High Similarity	NPC135524
0.8742	High Similarity	NPC193555
0.8725	High Similarity	NPC4214
0.8725	High Similarity	NPC13715
0.872	High Similarity	NPC478021
0.8716	High Similarity	NPC272268
0.8712	High Similarity	NPC107009
0.8704	High Similarity	NPC478022
0.8704	High Similarity	NPC478020
0.8701	High Similarity	NPC119767
0.8696	High Similarity	NPC315772
0.8693	High Similarity	NPC170055
0.8688	High Similarity	NPC475449
0.8684	High Similarity	NPC471682
0.8684	High Similarity	NPC66593
0.8675	High Similarity	NPC204045
0.8675	High Similarity	NPC305845
0.8675	High Similarity	NPC290550
0.8671	High Similarity	NPC3449
0.8667	High Similarity	NPC294501
0.8667	High Similarity	NPC473113
0.8649	High Similarity	NPC80035
0.8645	High Similarity	NPC94781
0.8636	High Similarity	NPC147250
0.8627	High Similarity	NPC218866
0.8627	High Similarity	NPC84568
0.8627	High Similarity	NPC48130
0.8627	High Similarity	NPC244691
0.8627	High Similarity	NPC471906
0.8627	High Similarity	NPC300684
0.8627	High Similarity	NPC79627
0.8625	High Similarity	NPC324736
0.8618	High Similarity	NPC474961
0.8618	High Similarity	NPC474300
0.8618	High Similarity	NPC85310
0.8618	High Similarity	NPC469520
0.8618	High Similarity	NPC257644
0.8609	High Similarity	NPC169452
0.8609	High Similarity	NPC181560
0.8608	High Similarity	NPC312482
0.8608	High Similarity	NPC209393
0.8608	High Similarity	NPC474622
0.8608	High Similarity	NPC205172
0.8608	High Similarity	NPC474621
0.859	High Similarity	NPC477221
0.859	High Similarity	NPC44378
0.859	High Similarity	NPC280753
0.8581	High Similarity	NPC478018
0.8581	High Similarity	NPC288089
0.8571	High Similarity	NPC34482
0.8571	High Similarity	NPC476506
0.8562	High Similarity	NPC476473
0.8562	High Similarity	NPC206641
0.8562	High Similarity	NPC263483
0.8562	High Similarity	NPC208651
0.8554	High Similarity	NPC477836
0.8553	High Similarity	NPC257003
0.8553	High Similarity	NPC174599
0.8553	High Similarity	NPC192219
0.8553	High Similarity	NPC82190
0.8544	High Similarity	NPC474534
0.8544	High Similarity	NPC474533
0.8543	High Similarity	NPC190457
0.8543	High Similarity	NPC143438
0.8543	High Similarity	NPC138099
0.8543	High Similarity	NPC242994
0.8533	High Similarity	NPC305060
0.8533	High Similarity	NPC245923
0.8526	High Similarity	NPC112816
0.8516	High Similarity	NPC143685
0.8516	High Similarity	NPC470570
0.8516	High Similarity	NPC300540
0.8514	High Similarity	NPC115458
0.8509	High Similarity	NPC314795
0.8506	High Similarity	NPC48762
0.8506	High Similarity	NPC10764
0.8506	High Similarity	NPC193703
0.8506	High Similarity	NPC21599
0.8503	High Similarity	NPC472054
0.85	High Similarity	NPC283480
0.85	High Similarity	NPC478027
0.85	High Similarity	NPC148323
0.8497	Intermediate Similarity	NPC73061
0.8491	Intermediate Similarity	NPC472211
0.8487	Intermediate Similarity	NPC327916
0.8487	Intermediate Similarity	NPC183345
0.8487	Intermediate Similarity	NPC42262
0.8487	Intermediate Similarity	NPC32749
0.8487	Intermediate Similarity	NPC241349
0.8487	Intermediate Similarity	NPC225243
0.8487	Intermediate Similarity	NPC147542
0.8487	Intermediate Similarity	NPC220496
0.8487	Intermediate Similarity	NPC37992
0.8485	Intermediate Similarity	NPC76647
0.8481	Intermediate Similarity	NPC477276
0.8481	Intermediate Similarity	NPC470569
0.8476	Intermediate Similarity	NPC71390
0.8471	Intermediate Similarity	NPC120171
0.8467	Intermediate Similarity	NPC155211
0.8467	Intermediate Similarity	NPC474813
0.8467	Intermediate Similarity	NPC472308
0.8466	Intermediate Similarity	NPC97637
0.8466	Intermediate Similarity	NPC187934
0.8462	Intermediate Similarity	NPC162751
0.8462	Intermediate Similarity	NPC37709
0.8462	Intermediate Similarity	NPC290194
0.8462	Intermediate Similarity	NPC52161
0.8446	Intermediate Similarity	NPC70622
0.8438	Intermediate Similarity	NPC266469
0.8438	Intermediate Similarity	NPC226656
0.8438	Intermediate Similarity	NPC314257
0.8438	Intermediate Similarity	NPC66508
0.8434	Intermediate Similarity	NPC175477
0.8431	Intermediate Similarity	NPC91019
0.8431	Intermediate Similarity	NPC106519
0.8431	Intermediate Similarity	NPC187843
0.8431	Intermediate Similarity	NPC246638
0.8424	Intermediate Similarity	NPC477835
0.8421	Intermediate Similarity	NPC111422
0.8421	Intermediate Similarity	NPC306835
0.8421	Intermediate Similarity	NPC216312
0.8421	Intermediate Similarity	NPC476477
0.8421	Intermediate Similarity	NPC256463
0.8421	Intermediate Similarity	NPC29771
0.8421	Intermediate Similarity	NPC471602
0.8421	Intermediate Similarity	NPC299405
0.8418	Intermediate Similarity	NPC255641
0.8418	Intermediate Similarity	NPC290954
0.8418	Intermediate Similarity	NPC294646
0.8418	Intermediate Similarity	NPC470568
0.8418	Intermediate Similarity	NPC147735
0.8411	Intermediate Similarity	NPC53414
0.8411	Intermediate Similarity	NPC471905
0.8411	Intermediate Similarity	NPC53206
0.8408	Intermediate Similarity	NPC290695
0.8408	Intermediate Similarity	NPC471907
0.8408	Intermediate Similarity	NPC106524
0.84	Intermediate Similarity	NPC161632
0.8397	Intermediate Similarity	NPC136878
0.8389	Intermediate Similarity	NPC52407
0.8378	Intermediate Similarity	NPC205992
0.8377	Intermediate Similarity	NPC239136
0.8377	Intermediate Similarity	NPC19631
0.8377	Intermediate Similarity	NPC137649
0.8375	Intermediate Similarity	NPC208806
0.8373	Intermediate Similarity	NPC470341
0.8373	Intermediate Similarity	NPC324522
0.8373	Intermediate Similarity	NPC472058
0.8373	Intermediate Similarity	NPC105414
0.8373	Intermediate Similarity	NPC234497
0.8366	Intermediate Similarity	NPC168471
0.8365	Intermediate Similarity	NPC205918
0.8355	Intermediate Similarity	NPC472403
0.8355	Intermediate Similarity	NPC9121
0.8355	Intermediate Similarity	NPC177307
0.8355	Intermediate Similarity	NPC475974
0.8354	Intermediate Similarity	NPC474310
0.8344	Intermediate Similarity	NPC118919
0.8344	Intermediate Similarity	NPC5568
0.8344	Intermediate Similarity	NPC254847
0.8344	Intermediate Similarity	NPC472055
0.8333	Intermediate Similarity	NPC478019
0.8323	Intermediate Similarity	NPC53016
0.8323	Intermediate Similarity	NPC451542
0.8323	Intermediate Similarity	NPC296752
0.8323	Intermediate Similarity	NPC293545
0.8323	Intermediate Similarity	NPC174905
0.8323	Intermediate Similarity	NPC313047
0.8323	Intermediate Similarity	NPC68727
0.8323	Intermediate Similarity	NPC295712
0.8323	Intermediate Similarity	NPC474203
0.8322	Intermediate Similarity	NPC246693
0.8322	Intermediate Similarity	NPC242358
0.8322	Intermediate Similarity	NPC110609
0.8313	Intermediate Similarity	NPC30027
0.8313	Intermediate Similarity	NPC478220
0.8312	Intermediate Similarity	NPC471444
0.8311	Intermediate Similarity	NPC136588
0.8311	Intermediate Similarity	NPC199253
0.8311	Intermediate Similarity	NPC31799
0.8304	Intermediate Similarity	NPC473785
0.8303	Intermediate Similarity	NPC476505
0.8301	Intermediate Similarity	NPC162939
0.8301	Intermediate Similarity	NPC295339

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC474861 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	288
0.1-0.2	866
0.2-0.3	1535
0.3-0.4	2561
0.4-0.5	2261
0.5-0.6	1131
0.6-0.7	370
0.7-0.8	138
0.8-0.85	11
0.85-0.9	0
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.8382	Intermediate Similarity	NPD7879	Clinical (unspecified phase)
0.8344	Intermediate Similarity	NPD1509	Clinical (unspecified phase)
0.8289	Intermediate Similarity	NPD5406	Approved
0.8289	Intermediate Similarity	NPD5404	Approved
0.8289	Intermediate Similarity	NPD5408	Approved
0.8289	Intermediate Similarity	NPD5405	Approved
0.8269	Intermediate Similarity	NPD7390	Discontinued
0.8239	Intermediate Similarity	NPD3226	Approved
0.8204	Intermediate Similarity	NPD7473	Discontinued
0.815	Intermediate Similarity	NPD8150	Discontinued
0.8133	Intermediate Similarity	NPD6232	Discontinued
0.7978	Intermediate Similarity	NPD6534	Approved
0.7978	Intermediate Similarity	NPD6535	Approved
0.7973	Intermediate Similarity	NPD1470	Approved
0.7964	Intermediate Similarity	NPD6959	Discontinued
0.7927	Intermediate Similarity	NPD7819	Suspended
0.7923	Intermediate Similarity	NPD7435	Discontinued
0.7914	Intermediate Similarity	NPD7411	Suspended
0.7895	Intermediate Similarity	NPD5844	Phase 1
0.7879	Intermediate Similarity	NPD8443	Clinical (unspecified phase)
0.7875	Intermediate Similarity	NPD7422	Clinical (unspecified phase)
0.7857	Intermediate Similarity	NPD6782	Approved
0.7857	Intermediate Similarity	NPD6776	Approved
0.7857	Intermediate Similarity	NPD6780	Approved
0.7857	Intermediate Similarity	NPD6777	Approved
0.7857	Intermediate Similarity	NPD6779	Approved
0.7857	Intermediate Similarity	NPD6778	Approved
0.7857	Intermediate Similarity	NPD6781	Approved
0.7845	Intermediate Similarity	NPD7699	Phase 2
0.7845	Intermediate Similarity	NPD7700	Phase 2
0.7824	Intermediate Similarity	NPD7852	Clinical (unspecified phase)
0.7821	Intermediate Similarity	NPD2935	Discontinued
0.7784	Intermediate Similarity	NPD8320	Phase 1
0.7784	Intermediate Similarity	NPD8319	Approved
0.7771	Intermediate Similarity	NPD8312	Approved
0.7771	Intermediate Similarity	NPD8313	Approved
0.7764	Intermediate Similarity	NPD2534	Approved
0.7764	Intermediate Similarity	NPD2532	Approved
0.7764	Intermediate Similarity	NPD2533	Approved
0.7753	Intermediate Similarity	NPD8397	Clinical (unspecified phase)
0.7744	Intermediate Similarity	NPD4380	Phase 2
0.773	Intermediate Similarity	NPD7697	Approved
0.773	Intermediate Similarity	NPD7698	Approved
0.773	Intermediate Similarity	NPD7696	Phase 3
0.7703	Intermediate Similarity	NPD1201	Approved
0.7688	Intermediate Similarity	NPD7871	Phase 2
0.7688	Intermediate Similarity	NPD7870	Phase 2
0.7672	Intermediate Similarity	NPD7874	Approved
0.7672	Intermediate Similarity	NPD7875	Clinical (unspecified phase)
0.7624	Intermediate Similarity	NPD6213	Phase 3
0.7624	Intermediate Similarity	NPD6214	Clinical (unspecified phase)
0.7624	Intermediate Similarity	NPD6212	Phase 3
0.7576	Intermediate Similarity	NPD5808	Clinical (unspecified phase)
0.7574	Intermediate Similarity	NPD7075	Discontinued
0.7566	Intermediate Similarity	NPD7701	Phase 2
0.7562	Intermediate Similarity	NPD7421	Clinical (unspecified phase)
0.756	Intermediate Similarity	NPD5402	Approved
0.7547	Intermediate Similarity	NPD2346	Discontinued
0.7546	Intermediate Similarity	NPD7410	Clinical (unspecified phase)
0.7539	Intermediate Similarity	NPD7801	Approved
0.7515	Intermediate Similarity	NPD7768	Phase 2
0.75	Intermediate Similarity	NPD970	Clinical (unspecified phase)
0.75	Intermediate Similarity	NPD2393	Clinical (unspecified phase)
0.7487	Intermediate Similarity	NPD6823	Phase 2
0.7485	Intermediate Similarity	NPD5494	Approved
0.7471	Intermediate Similarity	NPD3749	Approved
0.7469	Intermediate Similarity	NPD6190	Approved
0.746	Intermediate Similarity	NPD7211	Clinical (unspecified phase)
0.7444	Intermediate Similarity	NPD8434	Phase 2
0.744	Intermediate Similarity	NPD6801	Discontinued
0.7439	Intermediate Similarity	NPD4378	Clinical (unspecified phase)
0.7421	Intermediate Similarity	NPD1510	Phase 2
0.7412	Intermediate Similarity	NPD4868	Clinical (unspecified phase)
0.7407	Intermediate Similarity	NPD7003	Approved
0.7405	Intermediate Similarity	NPD1607	Approved
0.7396	Intermediate Similarity	NPD7096	Clinical (unspecified phase)
0.7389	Intermediate Similarity	NPD943	Approved
0.7372	Intermediate Similarity	NPD3764	Approved
0.7368	Intermediate Similarity	NPD4381	Clinical (unspecified phase)
0.7365	Intermediate Similarity	NPD7458	Discontinued
0.736	Intermediate Similarity	NPD6559	Discontinued
0.7344	Intermediate Similarity	NPD8151	Discontinued
0.7333	Intermediate Similarity	NPD7004	Clinical (unspecified phase)
0.7318	Intermediate Similarity	NPD4338	Clinical (unspecified phase)
0.7317	Intermediate Similarity	NPD3300	Phase 2
0.7314	Intermediate Similarity	NPD6166	Phase 2
0.7314	Intermediate Similarity	NPD6168	Clinical (unspecified phase)
0.7314	Intermediate Similarity	NPD6167	Clinical (unspecified phase)
0.7312	Intermediate Similarity	NPD3299	Clinical (unspecified phase)
0.7301	Intermediate Similarity	NPD3750	Approved
0.7301	Intermediate Similarity	NPD1878	Clinical (unspecified phase)
0.7294	Intermediate Similarity	NPD2801	Approved
0.7293	Intermediate Similarity	NPD8055	Clinical (unspecified phase)
0.7286	Intermediate Similarity	NPD8155	Clinical (unspecified phase)
0.7284	Intermediate Similarity	NPD1549	Phase 2
0.7278	Intermediate Similarity	NPD1240	Approved
0.7273	Intermediate Similarity	NPD1164	Approved
0.7235	Intermediate Similarity	NPD37	Approved
0.7235	Intermediate Similarity	NPD1934	Approved
0.7232	Intermediate Similarity	NPD3751	Discontinued
0.7232	Intermediate Similarity	NPD3818	Discontinued
0.7222	Intermediate Similarity	NPD1552	Clinical (unspecified phase)
0.7222	Intermediate Similarity	NPD1550	Clinical (unspecified phase)
0.7219	Intermediate Similarity	NPD6599	Discontinued
0.7207	Intermediate Similarity	NPD7993	Clinical (unspecified phase)
0.7205	Intermediate Similarity	NPD2799	Discontinued
0.7205	Intermediate Similarity	NPD651	Clinical (unspecified phase)
0.72	Intermediate Similarity	NPD5710	Approved
0.72	Intermediate Similarity	NPD5711	Approved
0.7195	Intermediate Similarity	NPD4628	Phase 3
0.7191	Intermediate Similarity	NPD7804	Clinical (unspecified phase)
0.7186	Intermediate Similarity	NPD6273	Approved
0.7181	Intermediate Similarity	NPD405	Clinical (unspecified phase)
0.7179	Intermediate Similarity	NPD7783	Phase 2
0.7179	Intermediate Similarity	NPD7782	Clinical (unspecified phase)
0.716	Intermediate Similarity	NPD2796	Approved
0.716	Intermediate Similarity	NPD1551	Phase 2
0.7151	Intermediate Similarity	NPD7074	Phase 3
0.7151	Intermediate Similarity	NPD3817	Phase 2
0.7143	Intermediate Similarity	NPD8285	Discontinued
0.7143	Intermediate Similarity	NPD5403	Approved
0.7135	Intermediate Similarity	NPD7177	Discontinued
0.7111	Intermediate Similarity	NPD5953	Discontinued
0.711	Intermediate Similarity	NPD4967	Phase 2
0.711	Intermediate Similarity	NPD4966	Approved
0.711	Intermediate Similarity	NPD4965	Approved
0.7102	Intermediate Similarity	NPD3787	Discontinued
0.7095	Intermediate Similarity	NPD7054	Approved
0.7091	Intermediate Similarity	NPD8166	Discontinued
0.7091	Intermediate Similarity	NPD6398	Clinical (unspecified phase)
0.7088	Intermediate Similarity	NPD5035	Approved
0.7072	Intermediate Similarity	NPD5039	Approved
0.7066	Intermediate Similarity	NPD6799	Approved
0.7056	Intermediate Similarity	NPD7472	Approved
0.7044	Intermediate Similarity	NPD2313	Discontinued
0.7033	Intermediate Similarity	NPD36	Approved
0.7033	Intermediate Similarity	NPD5028	Approved
0.7033	Intermediate Similarity	NPD4955	Approved
0.7033	Intermediate Similarity	NPD5026	Approved
0.7033	Intermediate Similarity	NPD4954	Approved
0.7033	Intermediate Similarity	NPD5034	Approved
0.7029	Intermediate Similarity	NPD6234	Discontinued
0.7024	Intermediate Similarity	NPD5401	Approved
0.7019	Intermediate Similarity	NPD230	Phase 1
0.7017	Intermediate Similarity	NPD6797	Phase 2
0.7011	Intermediate Similarity	NPD3882	Suspended
0.7006	Intermediate Similarity	NPD7236	Approved
0.7	Intermediate Similarity	NPD7239	Suspended
0.7	Intermediate Similarity	NPD6663	Approved
0.6994	Remote Similarity	NPD1465	Phase 2
0.6994	Remote Similarity	NPD3748	Approved
0.6981	Remote Similarity	NPD7008	Discontinued
0.6978	Remote Similarity	NPD5030	Phase 2
0.6978	Remote Similarity	NPD7251	Discontinued
0.6973	Remote Similarity	NPD5038	Approved
0.6973	Remote Similarity	NPD5037	Approved
0.6964	Remote Similarity	NPD1511	Approved
0.6962	Remote Similarity	NPD5736	Approved
0.6961	Remote Similarity	NPD4956	Approved
0.6954	Remote Similarity	NPD9493	Approved
0.6951	Remote Similarity	NPD6100	Approved
0.6951	Remote Similarity	NPD6099	Approved
0.6944	Remote Similarity	NPD7893	Clinical (unspecified phase)
0.6944	Remote Similarity	NPD7228	Approved
0.6942	Remote Similarity	NPD8058	Clinical (unspecified phase)
0.6942	Remote Similarity	NPD8059	Phase 3
0.6941	Remote Similarity	NPD920	Approved
0.694	Remote Similarity	NPD7808	Phase 3
0.6937	Remote Similarity	NPD3268	Approved
0.6933	Remote Similarity	NPD5951	Approved
0.6919	Remote Similarity	NPD5036	Approved
0.691	Remote Similarity	NPD7229	Phase 3
0.6906	Remote Similarity	NPD7286	Phase 2
0.6899	Remote Similarity	NPD2798	Approved
0.6899	Remote Similarity	NPD6007	Clinical (unspecified phase)
0.6897	Remote Similarity	NPD5761	Phase 2
0.6897	Remote Similarity	NPD5760	Phase 2
0.689	Remote Similarity	NPD7033	Discontinued
0.6888	Remote Similarity	NPD6973	Clinical (unspecified phase)
0.6886	Remote Similarity	NPD3400	Discontinued
0.6883	Remote Similarity	NPD3019	Approved
0.6882	Remote Similarity	NPD1512	Approved
0.6879	Remote Similarity	NPD1283	Approved
0.6871	Remote Similarity	NPD6651	Approved
0.6863	Remote Similarity	NPD9545	Approved
0.6857	Remote Similarity	NPD8438	Clinical (unspecified phase)
0.6854	Remote Similarity	NPD1247	Approved
0.6851	Remote Similarity	NPD7799	Discontinued
0.6842	Remote Similarity	NPD6980	Clinical (unspecified phase)
0.6832	Remote Similarity	NPD1699	Clinical (unspecified phase)
0.6826	Remote Similarity	NPD2800	Approved
0.6824	Remote Similarity	NPD642	Clinical (unspecified phase)
0.6813	Remote Similarity	NPD6832	Phase 2
0.6809	Remote Similarity	NPD8360	Approved
0.6809	Remote Similarity	NPD8361	Approved
0.6807	Remote Similarity	NPD2343	Clinical (unspecified phase)
0.6807	Remote Similarity	NPD1471	Phase 3
0.6807	Remote Similarity	NPD2344	Approved
0.68	Remote Similarity	NPD7635	Approved
0.6796	Remote Similarity	NPD5033	Approved

Structure

NPC474861 OpenBabel07101718322D 33 36 0 0 1 0 0 0 0 0999 V2000 1.9319 -0.5176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9282 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0622 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9282 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2588 -0.9659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2247 -1.2247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1962 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0622 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 1.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.1962 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4641 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4641 1.0000 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 -4.3301 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3301 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5981 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5981 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4836 -2.1907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0622 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3301 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3301 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5981 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5981 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7934 0.6088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 2 33 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 4 9 1 0 0 0 0 5 10 2 0 0 0 0 6 8 1 0 0 0 0 6 23 1 0 0 0 0 7 11 1 0 0 0 0 7 23 1 0 0 0 0 8 24 2 0 0 0 0 9 12 2 0 0 0 0 9 18 1 0 0 0 0 10 12 1 0 0 0 0 10 25 1 0 0 0 0 11 13 1 0 0 0 0 11 26 1 1 0 0 0 12 19 1 0 0 0 0 13 14 1 0 0 0 0 13 20 2 0 0 0 0 14 17 1 0 0 0 0 14 21 2 0 0 0 0 15 16 2 0 0 0 0 15 18 1 0 0 0 0 15 21 1 0 0 0 0 16 19 1 0 0 0 0 16 20 1 0 0 0 0 17 22 1 0 0 0 0 17 23 1 6 0 0 0 18 27 2 0 0 0 0 19 28 2 0 0 0 0 20 29 1 0 0 0 0 21 30 1 0 0 0 0 22 31 2 0 0 0 0 22 33 1 0 0 0 0 23 32 1 1 0 0 0 M END $$$$

External Identifiers

PubChem CID	23251486
ChEMBL	CHEMBL485664
ZINC

Physicochemical Properties

Molecular Weight:	456.11
ALogP:	-3.2614
MLogP:	2.89
XLogP:	-1.089
# Rotatable Bonds:	11
Polar Surface Area:	178.66
# H-Bond Aceptor:	7
# H-Bond Donor:	5
# Rings:	4
# Heavy Atoms:	33

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