NPASS Natural Product

Natural Product: NPC288854

Natural Product ID:	NPC288854
Common Name:	Platencin A4
IUPAC Name:
Synonyms:	Platencin A4
Molecular Formula:	C24H29NO7
Standard InCHIKey:	PNAZDWJMYGFNNJ-NAXDPANMSA-N
Standard InCHI:	InChI=1S/C24H29NO7/c1-22(8-7-18(28)25-19-15(26)4-3-14(20(19)29)21(30)31)16-11-13-5-9-24(16,10-6-17(22)27)12-23(13,2)32/h3-4,6,10,13,16,26,29,32H,5,7-9,11-12H2,1-2H3,(H,25,28)(H,30,31)/t13-,16-,22-,23+,24+/m0/s1
Canonical SMILES:	OC(=Nc1c(O)ccc(c1O)C(=O)O)CC[C@]1(C)C(=O)C=C[C@]23[C@H]1C[C@H](CC2)[C@](C3)(C)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
NPO2298	Streptomyces platensis	Species	Streptomycetaceae	Bacteria				PMID[21214253]

Biological Activity

Activity Type	# Activity
IC50	2
MIC	8
Others	1

Activity Type	# Activity
Cell Line	1
Organism	9
Others	1

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT20	Organism	Candida albicans	Candida albicans	MIC	>	64	ug/ml	20299229
NPT19	Organism	Escherichia coli	Escherichia coli	MIC	=	32	ug/ml	20299229
NPT19	Organism	Escherichia coli	Escherichia coli	MIC	>	64	ug/ml	20299229
NPT1122	Organism	Haemophilus influenzae	Haemophilus influenzae	MIC	>	64	ug/ml	20299229
NPT79	Organism	Bacillus subtilis	Bacillus subtilis	MIC	>	64	ug/ml	20299229
NPT175	Organism	Enterococcus faecalis	Enterococcus faecalis	MIC	>	64	ug/ml	20299229
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MIC	>	64	ug/ml	20299229
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	Activity	=	100	ug/ml	20299229
NPT2	Others	Unspecified		IC50	=	25.1	ug/ml	20299229
NPT165	Cell Line	HeLa	Homo sapiens	IC50	>	100000	nM	20299229

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 NPC288854 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	255
0.1-0.2	1150
0.2-0.3	2682
0.3-0.4	6648
0.4-0.5	7139
0.5-0.6	8623
0.6-0.7	4324
0.7-0.8	66
0.8-0.85	0
0.85-0.9	0
0.9-0.95	0
0.95-1	2

Similarity Score	Similarity Level	Natural Product ID
0.9819	High Similarity	NPC132751
0.9647	High Similarity	NPC70340
0.7588	Intermediate Similarity	NPC323798
0.7419	Intermediate Similarity	NPC474815
0.7365	Intermediate Similarity	NPC175738
0.7333	Intermediate Similarity	NPC170333
0.731	Intermediate Similarity	NPC317727
0.73	Intermediate Similarity	NPC133156
0.7297	Intermediate Similarity	NPC163924
0.7297	Intermediate Similarity	NPC54661
0.7293	Intermediate Similarity	NPC475983
0.7251	Intermediate Similarity	NPC181526
0.7251	Intermediate Similarity	NPC314252
0.7243	Intermediate Similarity	NPC227033
0.7235	Intermediate Similarity	NPC290803
0.7225	Intermediate Similarity	NPC169452
0.7225	Intermediate Similarity	NPC181560
0.7209	Intermediate Similarity	NPC473622
0.7202	Intermediate Similarity	NPC18798
0.7193	Intermediate Similarity	NPC118919
0.7181	Intermediate Similarity	NPC315631
0.7176	Intermediate Similarity	NPC475088
0.7173	Intermediate Similarity	NPC477816
0.7168	Intermediate Similarity	NPC242994
0.7168	Intermediate Similarity	NPC138099
0.7143	Intermediate Similarity	NPC193555
0.7135	Intermediate Similarity	NPC101207
0.7104	Intermediate Similarity	NPC199737
0.7102	Intermediate Similarity	NPC474203
0.7102	Intermediate Similarity	NPC313047
0.7102	Intermediate Similarity	NPC451542
0.7102	Intermediate Similarity	NPC295712
0.7097	Intermediate Similarity	NPC473022
0.7093	Intermediate Similarity	NPC191976
0.7083	Intermediate Similarity	NPC474998
0.7083	Intermediate Similarity	NPC117899
0.7079	Intermediate Similarity	NPC271944
0.7079	Intermediate Similarity	NPC110882
0.7079	Intermediate Similarity	NPC85393
0.7076	Intermediate Similarity	NPC166480
0.7076	Intermediate Similarity	NPC282780
0.7076	Intermediate Similarity	NPC44437
0.7072	Intermediate Similarity	NPC305965
0.7062	Intermediate Similarity	NPC315829
0.7059	Intermediate Similarity	NPC112336
0.7059	Intermediate Similarity	NPC474814
0.7052	Intermediate Similarity	NPC471905
0.7052	Intermediate Similarity	NPC53001
0.7052	Intermediate Similarity	NPC53206
0.7052	Intermediate Similarity	NPC53414
0.7041	Intermediate Similarity	NPC17840
0.7041	Intermediate Similarity	NPC247477
0.7035	Intermediate Similarity	NPC477596
0.7024	Intermediate Similarity	NPC473017
0.7024	Intermediate Similarity	NPC229894
0.7024	Intermediate Similarity	NPC193203
0.7024	Intermediate Similarity	NPC21305
0.7022	Intermediate Similarity	NPC12402
0.7018	Intermediate Similarity	NPC267205
0.7018	Intermediate Similarity	NPC180261
0.7018	Intermediate Similarity	NPC37299
0.7016	Intermediate Similarity	NPC313708
0.7011	Intermediate Similarity	NPC87723
0.7006	Intermediate Similarity	NPC293545
0.7006	Intermediate Similarity	NPC174905
0.7	Intermediate Similarity	NPC292213
0.7	Intermediate Similarity	NPC117713
0.7	Intermediate Similarity	NPC315406
0.6994	Remote Similarity	NPC475955
0.6994	Remote Similarity	NPC474726
0.6994	Remote Similarity	NPC254847
0.6989	Remote Similarity	NPC246638
0.6989	Remote Similarity	NPC290550
0.6989	Remote Similarity	NPC472618
0.6983	Remote Similarity	NPC25844
0.6982	Remote Similarity	NPC109123
0.6982	Remote Similarity	NPC92624
0.6982	Remote Similarity	NPC303910
0.6977	Remote Similarity	NPC12070
0.6977	Remote Similarity	NPC474224
0.6977	Remote Similarity	NPC474117
0.6977	Remote Similarity	NPC477594
0.6976	Remote Similarity	NPC212123
0.6971	Remote Similarity	NPC112789
0.6971	Remote Similarity	NPC305542
0.6971	Remote Similarity	NPC19622
0.6968	Remote Similarity	NPC126676
0.6968	Remote Similarity	NPC469671
0.6964	Remote Similarity	NPC98254
0.6964	Remote Similarity	NPC266689
0.6964	Remote Similarity	NPC105157
0.6964	Remote Similarity	NPC190043
0.6964	Remote Similarity	NPC23126
0.6964	Remote Similarity	NPC100067
0.6964	Remote Similarity	NPC72158
0.6964	Remote Similarity	NPC162612
0.6964	Remote Similarity	NPC169250
0.6964	Remote Similarity	NPC103356
0.6964	Remote Similarity	NPC30501
0.6963	Remote Similarity	NPC472331
0.6963	Remote Similarity	NPC221792
0.6963	Remote Similarity	NPC126515
0.6963	Remote Similarity	NPC274002
0.6957	Remote Similarity	NPC474366
0.6954	Remote Similarity	NPC44960
0.6954	Remote Similarity	NPC474110
0.6949	Remote Similarity	NPC126534
0.6949	Remote Similarity	NPC135524
0.6949	Remote Similarity	NPC40118
0.6949	Remote Similarity	NPC232021
0.6947	Remote Similarity	NPC198075
0.6946	Remote Similarity	NPC475733
0.6944	Remote Similarity	NPC10842
0.6941	Remote Similarity	NPC259942
0.6936	Remote Similarity	NPC475917
0.6936	Remote Similarity	NPC249272
0.6936	Remote Similarity	NPC316574
0.6932	Remote Similarity	NPC275903
0.6932	Remote Similarity	NPC470986
0.6927	Remote Similarity	NPC470674
0.6927	Remote Similarity	NPC470673
0.6927	Remote Similarity	NPC117716
0.6923	Remote Similarity	NPC221777
0.6923	Remote Similarity	NPC218303
0.6923	Remote Similarity	NPC48949
0.6923	Remote Similarity	NPC205766
0.6919	Remote Similarity	NPC4547
0.6919	Remote Similarity	NPC48036
0.6919	Remote Similarity	NPC313299
0.6919	Remote Similarity	NPC114183
0.6916	Remote Similarity	NPC251071
0.6915	Remote Similarity	NPC315772
0.6914	Remote Similarity	NPC4214
0.6911	Remote Similarity	NPC472619
0.691	Remote Similarity	NPC296752
0.6907	Remote Similarity	NPC477392
0.6907	Remote Similarity	NPC315934
0.6905	Remote Similarity	NPC267846
0.6905	Remote Similarity	NPC62952
0.6905	Remote Similarity	NPC176113
0.6902	Remote Similarity	NPC182921
0.6902	Remote Similarity	NPC470408
0.6902	Remote Similarity	NPC474824
0.6902	Remote Similarity	NPC218870
0.6893	Remote Similarity	NPC265178
0.6893	Remote Similarity	NPC204045
0.6893	Remote Similarity	NPC305845
0.6891	Remote Similarity	NPC291305
0.6889	Remote Similarity	NPC473132
0.6889	Remote Similarity	NPC473135
0.6889	Remote Similarity	NPC470676
0.6879	Remote Similarity	NPC270899
0.6875	Remote Similarity	NPC472903
0.6875	Remote Similarity	NPC162939
0.6875	Remote Similarity	NPC143438
0.6872	Remote Similarity	NPC193703
0.6872	Remote Similarity	NPC477391
0.6872	Remote Similarity	NPC227841
0.6872	Remote Similarity	NPC21599
0.6869	Remote Similarity	NPC317882
0.6869	Remote Similarity	NPC471754
0.6868	Remote Similarity	NPC329933
0.6868	Remote Similarity	NPC84142
0.6864	Remote Similarity	NPC116513
0.6857	Remote Similarity	NPC477592
0.6857	Remote Similarity	NPC62272
0.6857	Remote Similarity	NPC30749
0.6857	Remote Similarity	NPC290030
0.6856	Remote Similarity	NPC469973
0.6854	Remote Similarity	NPC474961
0.6854	Remote Similarity	NPC137649
0.6854	Remote Similarity	NPC469520
0.6851	Remote Similarity	NPC37709
0.6851	Remote Similarity	NPC477483
0.6851	Remote Similarity	NPC325032
0.6845	Remote Similarity	NPC201728
0.6845	Remote Similarity	NPC474373
0.6845	Remote Similarity	NPC477454
0.6845	Remote Similarity	NPC262671
0.6839	Remote Similarity	NPC161632
0.6839	Remote Similarity	NPC472620
0.6839	Remote Similarity	NPC298320
0.6839	Remote Similarity	NPC283088
0.6836	Remote Similarity	NPC203063
0.6833	Remote Similarity	NPC34482
0.6831	Remote Similarity	NPC315520
0.6831	Remote Similarity	NPC150928
0.6831	Remote Similarity	NPC158866
0.6831	Remote Similarity	NPC164762
0.6828	Remote Similarity	NPC474861
0.6826	Remote Similarity	NPC472029
0.6826	Remote Similarity	NPC65761
0.6825	Remote Similarity	NPC314693
0.6825	Remote Similarity	NPC475106
0.6824	Remote Similarity	NPC41263
0.6823	Remote Similarity	NPC9475
0.6821	Remote Similarity	NPC40524
0.6821	Remote Similarity	NPC139074
0.6821	Remote Similarity	NPC213485
0.6818	Remote Similarity	NPC13715

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC288854 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	198
0.1-0.2	714
0.2-0.3	825
0.3-0.4	1989
0.4-0.5	3192
0.5-0.6	1898
0.6-0.7	334
0.7-0.8	11
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
0.7912	Intermediate Similarity	NPD6104	Discontinued
0.7566	Intermediate Similarity	NPD1898	Discontinued
0.735	Intermediate Similarity	NPD6807	Phase 3
0.731	Intermediate Similarity	NPD5609	Approved
0.731	Intermediate Similarity	NPD5608	Approved
0.7243	Intermediate Similarity	NPD8067	Phase 3
0.7211	Intermediate Similarity	NPD3253	Clinical (unspecified phase)
0.7184	Intermediate Similarity	NPD1196	Approved
0.7175	Intermediate Similarity	NPD9509	Clinical (unspecified phase)
0.7159	Intermediate Similarity	NPD1543	Discontinued
0.7126	Intermediate Similarity	NPD1195	Approved
0.6994	Remote Similarity	NPD1509	Clinical (unspecified phase)
0.6967	Remote Similarity	NPD7292	Approved
0.6942	Remote Similarity	NPD7302	Phase 3
0.6942	Remote Similarity	NPD7300	Phase 3
0.6936	Remote Similarity	NPD9279	Approved
0.6919	Remote Similarity	NPD5968	Phase 3
0.6891	Remote Similarity	NPD5031	Approved
0.6891	Remote Similarity	NPD5029	Approved
0.6891	Remote Similarity	NPD5027	Approved
0.6885	Remote Similarity	NPD2366	Approved
0.6872	Remote Similarity	NPD7390	Discontinued
0.6866	Remote Similarity	NPD6162	Approved
0.6866	Remote Similarity	NPD6161	Approved
0.6857	Remote Similarity	NPD5408	Approved
0.6857	Remote Similarity	NPD5405	Approved
0.6857	Remote Similarity	NPD5406	Approved
0.6857	Remote Similarity	NPD5404	Approved
0.6856	Remote Similarity	NPD5028	Approved
0.6856	Remote Similarity	NPD4955	Approved
0.6856	Remote Similarity	NPD5034	Approved
0.6856	Remote Similarity	NPD4954	Approved
0.6856	Remote Similarity	NPD36	Approved
0.6856	Remote Similarity	NPD5026	Approved
0.6823	Remote Similarity	NPD6020	Phase 2
0.6816	Remote Similarity	NPD3300	Phase 2
0.6816	Remote Similarity	NPD4931	Phase 2
0.681	Remote Similarity	NPD7301	Phase 3
0.6804	Remote Similarity	NPD5030	Phase 2
0.6802	Remote Similarity	NPD5037	Approved
0.6802	Remote Similarity	NPD5038	Approved
0.6798	Remote Similarity	NPD6874	Approved
0.6796	Remote Similarity	NPD6138	Clinical (unspecified phase)
0.6789	Remote Similarity	NPD1913	Phase 1
0.6782	Remote Similarity	NPD7282	Approved
0.6751	Remote Similarity	NPD5036	Approved
0.6736	Remote Similarity	NPD1221	Approved
0.6734	Remote Similarity	NPD6836	Approved
0.6716	Remote Similarity	NPD5610	Approved
0.6667	Remote Similarity	NPD1220	Phase 1
0.665	Remote Similarity	NPD8360	Approved
0.665	Remote Similarity	NPD7566	Clinical (unspecified phase)
0.665	Remote Similarity	NPD8361	Approved
0.665	Remote Similarity	NPD7546	Discontinued
0.665	Remote Similarity	NPD5035	Approved
0.6649	Remote Similarity	NPD3965	Phase 1
0.6636	Remote Similarity	NPD7475	Clinical (unspecified phase)
0.6633	Remote Similarity	NPD8150	Discontinued
0.6623	Remote Similarity	NPD8367	Approved
0.6618	Remote Similarity	NPD8485	Approved
0.6606	Remote Similarity	NPD7654	Discontinued
0.6599	Remote Similarity	NPD4419	Clinical (unspecified phase)
0.6599	Remote Similarity	NPD5032	Approved
0.6587	Remote Similarity	NPD7597	Clinical (unspecified phase)
0.6584	Remote Similarity	NPD5937	Approved
0.6574	Remote Similarity	NPD7293	Approved
0.6571	Remote Similarity	NPD943	Approved
0.6571	Remote Similarity	NPD6973	Clinical (unspecified phase)
0.6571	Remote Similarity	NPD6296	Discontinued
0.6567	Remote Similarity	NPD8435	Approved
0.6562	Remote Similarity	NPD1839	Phase 1
0.6557	Remote Similarity	NPD7410	Clinical (unspecified phase)
0.655	Remote Similarity	NPD1470	Approved
0.6546	Remote Similarity	NPD7473	Discontinued
0.6544	Remote Similarity	NPD2899	Discontinued
0.6543	Remote Similarity	NPD7819	Suspended
0.6538	Remote Similarity	NPD5848	Clinical (unspecified phase)
0.6531	Remote Similarity	NPD5190	Phase 2
0.6526	Remote Similarity	NPD3749	Approved
0.6525	Remote Similarity	NPD8461	Discontinued
0.6524	Remote Similarity	NPD7411	Suspended
0.6522	Remote Similarity	NPD8486	Clinical (unspecified phase)
0.6519	Remote Similarity	NPD3750	Approved
0.6519	Remote Similarity	NPD3400	Discontinued
0.6517	Remote Similarity	NPD3299	Clinical (unspecified phase)
0.6513	Remote Similarity	NPD2361	Approved
0.6511	Remote Similarity	NPD8492	Approved
0.651	Remote Similarity	NPD2821	Approved
0.6509	Remote Similarity	NPD1201	Approved
0.6505	Remote Similarity	NPD5086	Approved
0.65	Remote Similarity	NPD970	Clinical (unspecified phase)
0.6493	Remote Similarity	NPD7584	Approved
0.6489	Remote Similarity	NPD3812	Clinical (unspecified phase)
0.648	Remote Similarity	NPD4603	Phase 2
0.6477	Remote Similarity	NPD6232	Discontinued
0.6474	Remote Similarity	NPD658	Approved
0.6474	Remote Similarity	NPD663	Approved
0.6474	Remote Similarity	NPD656	Approved
0.6474	Remote Similarity	NPD662	Approved
0.6474	Remote Similarity	NPD659	Approved
0.6473	Remote Similarity	NPD5544	Approved
0.6471	Remote Similarity	NPD3684	Discontinued
0.6465	Remote Similarity	NPD5637	Discontinued
0.6462	Remote Similarity	NPD2359	Approved
0.645	Remote Similarity	NPD9692	Approved
0.645	Remote Similarity	NPD9693	Approved
0.6432	Remote Similarity	NPD8151	Discontinued
0.6429	Remote Similarity	NPD6398	Clinical (unspecified phase)
0.6425	Remote Similarity	NPD2249	Approved
0.6425	Remote Similarity	NPD5194	Approved
0.6425	Remote Similarity	NPD4974	Approved
0.6425	Remote Similarity	NPD1510	Phase 2
0.6425	Remote Similarity	NPD5197	Approved
0.6425	Remote Similarity	NPD2247	Approved
0.6425	Remote Similarity	NPD4975	Approved
0.6425	Remote Similarity	NPD5196	Approved
0.6421	Remote Similarity	NPD8443	Clinical (unspecified phase)
0.6417	Remote Similarity	NPD5811	Approved
0.641	Remote Similarity	NPD7852	Clinical (unspecified phase)
0.6409	Remote Similarity	NPD75	Approved
0.6409	Remote Similarity	NPD9277	Approved
0.6406	Remote Similarity	NPD3252	Approved
0.6404	Remote Similarity	NPD1607	Approved
0.6404	Remote Similarity	NPD5928	Phase 1
0.6387	Remote Similarity	NPD7768	Phase 2
0.6386	Remote Similarity	NPD8424	Clinical (unspecified phase)
0.6384	Remote Similarity	NPD1240	Approved
0.6383	Remote Similarity	NPD6599	Discontinued
0.6378	Remote Similarity	NPD5033	Approved
0.6378	Remote Similarity	NPD4378	Clinical (unspecified phase)
0.6373	Remote Similarity	NPD6746	Phase 2
0.6373	Remote Similarity	NPD5871	Discontinued
0.6372	Remote Similarity	NPD7801	Approved
0.6364	Remote Similarity	NPD4914	Approved
0.6364	Remote Similarity	NPD4956	Approved
0.6364	Remote Similarity	NPD4003	Phase 3
0.6358	Remote Similarity	NPD1164	Approved
0.6354	Remote Similarity	NPD9274	Approved
0.6354	Remote Similarity	NPD9275	Approved
0.6354	Remote Similarity	NPD9276	Approved
0.6354	Remote Similarity	NPD7075	Discontinued
0.6354	Remote Similarity	NPD9278	Suspended
0.6354	Remote Similarity	NPD3453	Discontinued
0.635	Remote Similarity	NPD7883	Discontinued
0.6349	Remote Similarity	NPD3778	Approved
0.6349	Remote Similarity	NPD2672	Discontinued
0.6346	Remote Similarity	NPD4668	Phase 2
0.634	Remote Similarity	NPD6959	Discontinued
0.6339	Remote Similarity	NPD5819	Phase 2
0.6337	Remote Similarity	NPD3154	Approved
0.6337	Remote Similarity	NPD3153	Approved
0.6333	Remote Similarity	NPD651	Clinical (unspecified phase)
0.6333	Remote Similarity	NPD5788	Clinical (unspecified phase)
0.6332	Remote Similarity	NPD5445	Approved
0.6332	Remote Similarity	NPD6293	Clinical (unspecified phase)
0.6326	Remote Similarity	NPD7874	Approved
0.6326	Remote Similarity	NPD7875	Clinical (unspecified phase)
0.6321	Remote Similarity	NPD8319	Approved
0.6321	Remote Similarity	NPD8320	Phase 1
0.632	Remote Similarity	NPD7417	Discontinued
0.6313	Remote Similarity	NPD6651	Approved
0.6308	Remote Similarity	NPD7585	Approved
0.6308	Remote Similarity	NPD5710	Approved
0.6308	Remote Similarity	NPD5711	Approved
0.6303	Remote Similarity	NPD4387	Approved
0.6303	Remote Similarity	NPD4386	Approved
0.63	Remote Similarity	NPD5039	Approved
0.6298	Remote Similarity	NPD7238	Clinical (unspecified phase)
0.6298	Remote Similarity	NPD2935	Discontinued
0.6298	Remote Similarity	NPD5195	Discontinued
0.6296	Remote Similarity	NPD6502	Phase 2
0.6296	Remote Similarity	NPD4380	Phase 2
0.6293	Remote Similarity	NPD7283	Approved
0.629	Remote Similarity	NPD2532	Approved
0.629	Remote Similarity	NPD2533	Approved
0.629	Remote Similarity	NPD2534	Approved
0.6289	Remote Similarity	NPD3251	Approved
0.6284	Remote Similarity	NPD2800	Approved
0.6283	Remote Similarity	NPD7096	Clinical (unspecified phase)
0.6276	Remote Similarity	NPD5242	Approved
0.6273	Remote Similarity	NPD6198	Phase 1
0.6264	Remote Similarity	NPD4726	Approved
0.6264	Remote Similarity	NPD4725	Approved
0.6264	Remote Similarity	NPD4721	Approved
0.6262	Remote Similarity	NPD7583	Approved
0.625	Remote Similarity	NPD8166	Discontinued
0.625	Remote Similarity	NPD6722	Clinical (unspecified phase)
0.625	Remote Similarity	NPD3823	Discontinued
0.625	Remote Similarity	NPD4361	Phase 2
0.625	Remote Similarity	NPD7003	Approved
0.625	Remote Similarity	NPD4362	Clinical (unspecified phase)
0.6243	Remote Similarity	NPD3748	Approved
0.6243	Remote Similarity	NPD3229	Phase 2
0.6243	Remote Similarity	NPD7458	Discontinued
0.6233	Remote Similarity	NPD6593	Clinical (unspecified phase)
0.623	Remote Similarity	NPD1549	Phase 2
0.623	Remote Similarity	NPD6801	Discontinued
0.6229	Remote Similarity	NPD701	Approved
0.6229	Remote Similarity	NPD698	Approved
0.6227	Remote Similarity	NPD8404	Phase 2

Structure

CID288854 OpenBabel06191716092D 32 35 0 0 1 0 0 0 0 0999 V2000 -1.8976 -3.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4234 -1.3414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4232 0.8217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8976 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5556 -1.7227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7496 -4.8510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4232 -2.4651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3720 -2.4651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5556 -2.7654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6527 -4.3296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7496 -1.7227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2839 -2.6482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6527 -1.2013 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4744 0.8217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4232 -0.8217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7496 -2.7654 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.8465 -4.3296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9488 -1.6434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4744 -0.8217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.6434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8465 -3.2868 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.2839 -1.8400 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.6527 -3.2868 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0000 -1.6434 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8976 -1.6434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0248 -4.8040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4232 -0.8217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9488 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4744 2.4651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9488 1.6434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2839 -0.8769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3 4 2 0 0 0 0 3 14 1 0 0 0 0 4 15 1 0 0 0 0 5 9 1 0 0 0 0 5 13 1 0 0 0 0 6 10 2 0 0 0 0 6 17 1 0 0 0 0 7 8 1 0 0 0 0 7 18 1 0 0 0 0 8 22 1 0 0 0 0 10 24 1 0 0 0 0 11 13 1 0 0 0 0 11 16 1 0 0 0 0 12 23 1 0 0 0 0 12 24 1 0 0 0 0 13 23 1 6 0 0 0 14 20 2 0 0 0 0 14 21 1 0 0 0 0 15 19 2 0 0 0 0 15 26 1 0 0 0 0 16 22 1 1 0 0 0 16 24 1 0 0 0 0 17 22 1 0 0 0 0 17 27 2 0 0 0 0 18 25 2 3 0 0 0 18 28 1 0 0 0 0 19 20 1 0 0 0 0 19 25 1 0 0 0 0 20 29 1 0 0 0 0 21 30 2 0 0 0 0 21 31 1 0 0 0 0 22 1 1 1 0 0 0 23 2 1 1 0 0 0 23 32 1 0 0 0 0 24 9 1 1 0 0 0 M END $$$$

External Identifiers

PubChem CID	46885917
ChEMBL	CHEMBL1089566
ZINC

Physicochemical Properties

Molecular Weight:	443.19
ALogP:	-1.1862
MLogP:	3.22
XLogP:	2.289
# Rotatable Bonds:	12
Polar Surface Area:	147.65
# H-Bond Aceptor:	6
# H-Bond Donor:	5
# Rings:	2
# Heavy Atoms:	32

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