NPASS Natural Product

Natural Product: NPC120171

Natural Product ID:	NPC120171
Common Name:	Frenolicin
IUPAC Name:
Synonyms:
Molecular Formula:	C18H18O7
Standard InCHIKey:	RJPAAOHQLUUTRQ-KSVPUCKHSA-N
Standard InCHI:	InChI=1S/C18H18O7/c1-2-4-12-18-16(23)14-10(5-3-6-11(14)19)15(22)17(18,25-18)8-9(24-12)7-13(20)21/h3,5-6,9,12,19H,2,4,7-8H2,1H3,(H,20,21)/t9-,12-,17-,18+/m1/s1
Canonical SMILES:	CCC[C@H]1O[C@H](CC(=O)O)C[C@@]23[C@@]1(O2)C(=O)c1c(O)cccc1C3=O
First Find Year:
Max Developmental Stage:
Synthetic Gene Cluster:	;

Species Source

Organism ID	Organism Name	Taxonomy Level	Family	SuperKingdom	Reference
NPO33097	Streptomyces sp. RM-4-15	Species	Streptomycetaceae	Bacteria	PMID[23944931]
NPO18790	Streptomyces roseofulvus	Species	Streptomycetaceae	Bacteria	StreptomeDB*
NPO31717	Streptomyces rm-4-15	Species	Streptomycetaceae	Bacteria	StreptomeDB*

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
NPT81	Cell Line	A549	Homo sapiens	IC50	=	5770	nM	23944931

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 NPC120171 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	241
0.1-0.2	1008
0.2-0.3	1882
0.3-0.4	3888
0.4-0.5	6928
0.5-0.6	5769
0.6-0.7	4832
0.7-0.8	5916
0.8-0.85	351
0.85-0.9	68
0.9-0.95	2
0.95-1	4

Similarity Score	Similarity Level	Natural Product ID
0.9653	High Similarity	NPC94781
0.9589	High Similarity	NPC205918
0.9586	High Similarity	NPC44378
0.9586	High Similarity	NPC280753
0.9296	High Similarity	NPC114620
0.9296	High Similarity	NPC103337
0.8933	High Similarity	NPC474310
0.8889	High Similarity	NPC314257
0.8851	High Similarity	NPC103910
0.8784	High Similarity	NPC21873
0.8776	High Similarity	NPC257003
0.8767	High Similarity	NPC295339
0.8742	High Similarity	NPC470479
0.8733	High Similarity	NPC285122
0.8733	High Similarity	NPC136878
0.8725	High Similarity	NPC29932
0.8716	High Similarity	NPC308572
0.8716	High Similarity	NPC474300
0.8701	High Similarity	NPC312482
0.8699	High Similarity	NPC173980
0.8699	High Similarity	NPC61590
0.8688	High Similarity	NPC471295
0.8679	High Similarity	NPC470735
0.8679	High Similarity	NPC329647
0.8667	High Similarity	NPC474630
0.8658	High Similarity	NPC354984
0.8658	High Similarity	NPC476473
0.8654	High Similarity	NPC472889
0.8645	High Similarity	NPC3449
0.8645	High Similarity	NPC478133
0.8639	High Similarity	NPC306835
0.8639	High Similarity	NPC111422
0.8639	High Similarity	NPC216312
0.8639	High Similarity	NPC476477
0.8639	High Similarity	NPC299405
0.8639	High Similarity	NPC29771
0.8639	High Similarity	NPC471602
0.8639	High Similarity	NPC256463
0.8636	High Similarity	NPC115249
0.8627	High Similarity	NPC56204
0.8618	High Similarity	NPC142846
0.8599	High Similarity	NPC314795
0.859	High Similarity	NPC478027
0.8581	High Similarity	NPC474824
0.8581	High Similarity	NPC42262
0.8581	High Similarity	NPC315578
0.8581	High Similarity	NPC470408
0.8581	High Similarity	NPC220496
0.8581	High Similarity	NPC137301
0.8581	High Similarity	NPC241349
0.8581	High Similarity	NPC182921
0.8581	High Similarity	NPC32749
0.8581	High Similarity	NPC147542
0.8581	High Similarity	NPC37992
0.8581	High Similarity	NPC327916
0.8581	High Similarity	NPC218870
0.8562	High Similarity	NPC472049
0.8553	High Similarity	NPC472135
0.8543	High Similarity	NPC170055
0.8535	High Similarity	NPC208651
0.8535	High Similarity	NPC206641
0.8535	High Similarity	NPC29552
0.8526	High Similarity	NPC170189
0.8526	High Similarity	NPC208173
0.8526	High Similarity	NPC472890
0.8526	High Similarity	NPC478221
0.8526	High Similarity	NPC317585
0.8523	High Similarity	NPC471444
0.8516	High Similarity	NPC76041
0.8516	High Similarity	NPC184284
0.8514	High Similarity	NPC26924
0.8506	High Similarity	NPC315520
0.8506	High Similarity	NPC475407
0.8506	High Similarity	NPC472891
0.8493	Intermediate Similarity	NPC27407
0.8491	Intermediate Similarity	NPC478134
0.8487	Intermediate Similarity	NPC51513
0.8487	Intermediate Similarity	NPC202112
0.8483	Intermediate Similarity	NPC171968
0.8477	Intermediate Similarity	NPC218866
0.8477	Intermediate Similarity	NPC84568
0.8477	Intermediate Similarity	NPC300684
0.8477	Intermediate Similarity	NPC48130
0.8471	Intermediate Similarity	NPC472050
0.8471	Intermediate Similarity	NPC474861
0.8462	Intermediate Similarity	NPC478231
0.8462	Intermediate Similarity	NPC474622
0.8462	Intermediate Similarity	NPC205172
0.8462	Intermediate Similarity	NPC209393
0.8462	Intermediate Similarity	NPC474621
0.8446	Intermediate Similarity	NPC197666
0.8446	Intermediate Similarity	NPC126739
0.8442	Intermediate Similarity	NPC84142
0.8431	Intermediate Similarity	NPC5568
0.8431	Intermediate Similarity	NPC215593
0.8431	Intermediate Similarity	NPC119767
0.8421	Intermediate Similarity	NPC474309
0.8421	Intermediate Similarity	NPC475923
0.8421	Intermediate Similarity	NPC83272
0.8418	Intermediate Similarity	NPC478225
0.8418	Intermediate Similarity	NPC246466
0.8415	Intermediate Similarity	NPC183441
0.8411	Intermediate Similarity	NPC143898
0.8408	Intermediate Similarity	NPC82190
0.8408	Intermediate Similarity	NPC478230
0.8408	Intermediate Similarity	NPC192219
0.8408	Intermediate Similarity	NPC174599
0.8408	Intermediate Similarity	NPC69043
0.8408	Intermediate Similarity	NPC99381
0.8405	Intermediate Similarity	NPC175477
0.8397	Intermediate Similarity	NPC478224
0.8387	Intermediate Similarity	NPC164762
0.8378	Intermediate Similarity	NPC261292
0.8378	Intermediate Similarity	NPC301915
0.8377	Intermediate Similarity	NPC112816
0.8375	Intermediate Similarity	NPC316457
0.8367	Intermediate Similarity	NPC142027
0.8366	Intermediate Similarity	NPC120536
0.8366	Intermediate Similarity	NPC147250
0.8366	Intermediate Similarity	NPC63918
0.8366	Intermediate Similarity	NPC229264
0.8366	Intermediate Similarity	NPC472134
0.8365	Intermediate Similarity	NPC470339
0.8364	Intermediate Similarity	NPC65118
0.8355	Intermediate Similarity	NPC274085
0.8355	Intermediate Similarity	NPC89664
0.8355	Intermediate Similarity	NPC42540
0.8355	Intermediate Similarity	NPC478203
0.8355	Intermediate Similarity	NPC126882
0.8355	Intermediate Similarity	NPC471906
0.8355	Intermediate Similarity	NPC210966
0.8355	Intermediate Similarity	NPC151607
0.8354	Intermediate Similarity	NPC283480
0.8354	Intermediate Similarity	NPC478021
0.8354	Intermediate Similarity	NPC148323
0.8344	Intermediate Similarity	NPC125487
0.8344	Intermediate Similarity	NPC281703
0.8333	Intermediate Similarity	NPC478020
0.8333	Intermediate Similarity	NPC208069
0.8333	Intermediate Similarity	NPC91809
0.8333	Intermediate Similarity	NPC478022
0.8322	Intermediate Similarity	NPC221104
0.8322	Intermediate Similarity	NPC9121
0.8322	Intermediate Similarity	NPC177307
0.8313	Intermediate Similarity	NPC472055
0.8312	Intermediate Similarity	NPC476821
0.8312	Intermediate Similarity	NPC81835
0.8311	Intermediate Similarity	NPC315275
0.8311	Intermediate Similarity	NPC291454
0.8303	Intermediate Similarity	NPC473113
0.8303	Intermediate Similarity	NPC270027
0.8303	Intermediate Similarity	NPC294501
0.8301	Intermediate Similarity	NPC257558
0.8293	Intermediate Similarity	NPC473095
0.8293	Intermediate Similarity	NPC473096
0.8291	Intermediate Similarity	NPC471456
0.8291	Intermediate Similarity	NPC266469
0.8289	Intermediate Similarity	NPC159721
0.8288	Intermediate Similarity	NPC246693
0.8288	Intermediate Similarity	NPC309430
0.8288	Intermediate Similarity	NPC242358
0.8288	Intermediate Similarity	NPC110609
0.8288	Intermediate Similarity	NPC17843
0.828	Intermediate Similarity	NPC474533
0.828	Intermediate Similarity	NPC474534
0.8278	Intermediate Similarity	NPC470842
0.8278	Intermediate Similarity	NPC472603
0.8278	Intermediate Similarity	NPC244923
0.8278	Intermediate Similarity	NPC53649
0.8269	Intermediate Similarity	NPC205766
0.8267	Intermediate Similarity	NPC52358
0.8264	Intermediate Similarity	NPC165257
0.8264	Intermediate Similarity	NPC237225
0.8263	Intermediate Similarity	NPC176246
0.8261	Intermediate Similarity	NPC317544
0.8255	Intermediate Similarity	NPC149372
0.8255	Intermediate Similarity	NPC65837
0.8255	Intermediate Similarity	NPC474849
0.8255	Intermediate Similarity	NPC178467
0.8255	Intermediate Similarity	NPC474771
0.8252	Intermediate Similarity	NPC231774
0.8247	Intermediate Similarity	NPC473023
0.8247	Intermediate Similarity	NPC470570
0.8247	Intermediate Similarity	NPC107625
0.8242	Intermediate Similarity	NPC470580
0.8235	Intermediate Similarity	NPC477409
0.8235	Intermediate Similarity	NPC244691
0.8235	Intermediate Similarity	NPC79627
0.8232	Intermediate Similarity	NPC283041
0.8232	Intermediate Similarity	NPC473094
0.8224	Intermediate Similarity	NPC135524
0.8221	Intermediate Similarity	NPC478026
0.8221	Intermediate Similarity	NPC191930
0.8219	Intermediate Similarity	NPC470831
0.8219	Intermediate Similarity	NPC214702
0.8217	Intermediate Similarity	NPC70016
0.8217	Intermediate Similarity	NPC215921
0.8212	Intermediate Similarity	NPC472600
0.8212	Intermediate Similarity	NPC155205
0.8212	Intermediate Similarity	NPC472601

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC120171 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	256
0.1-0.2	809
0.2-0.3	1460
0.3-0.4	2513
0.4-0.5	2232
0.5-0.6	1262
0.6-0.7	470
0.7-0.8	154
0.8-0.85	5
0.85-0.9	0
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.814	Intermediate Similarity	NPD7879	Clinical (unspecified phase)
0.8075	Intermediate Similarity	NPD7075	Discontinued
0.8056	Intermediate Similarity	NPD1470	Approved
0.8012	Intermediate Similarity	NPD8150	Discontinued
0.8	Intermediate Similarity	NPD7096	Clinical (unspecified phase)
0.7947	Intermediate Similarity	NPD1509	Clinical (unspecified phase)
0.7888	Intermediate Similarity	NPD7819	Suspended
0.7879	Intermediate Similarity	NPD6232	Discontinued
0.7862	Intermediate Similarity	NPD3226	Approved
0.7844	Intermediate Similarity	NPD7473	Discontinued
0.7778	Intermediate Similarity	NPD5408	Approved
0.7778	Intermediate Similarity	NPD1201	Approved
0.7778	Intermediate Similarity	NPD5404	Approved
0.7778	Intermediate Similarity	NPD5406	Approved
0.7778	Intermediate Similarity	NPD5405	Approved
0.7756	Intermediate Similarity	NPD6190	Approved
0.7727	Intermediate Similarity	NPD2346	Discontinued
0.7722	Intermediate Similarity	NPD2534	Approved
0.7722	Intermediate Similarity	NPD2532	Approved
0.7722	Intermediate Similarity	NPD2533	Approved
0.7716	Intermediate Similarity	NPD6801	Discontinued
0.7702	Intermediate Similarity	NPD4380	Phase 2
0.7702	Intermediate Similarity	NPD6599	Discontinued
0.7692	Intermediate Similarity	NPD3751	Discontinued
0.7692	Intermediate Similarity	NPD7435	Discontinued
0.7669	Intermediate Similarity	NPD2393	Clinical (unspecified phase)
0.7658	Intermediate Similarity	NPD6799	Approved
0.765	Intermediate Similarity	NPD8320	Phase 1
0.765	Intermediate Similarity	NPD8319	Approved
0.764	Intermediate Similarity	NPD6535	Approved
0.764	Intermediate Similarity	NPD6534	Approved
0.7622	Intermediate Similarity	NPD3817	Phase 2
0.7622	Intermediate Similarity	NPD5402	Approved
0.761	Intermediate Similarity	NPD4378	Clinical (unspecified phase)
0.7607	Intermediate Similarity	NPD1934	Approved
0.7597	Intermediate Similarity	NPD651	Clinical (unspecified phase)
0.7595	Intermediate Similarity	NPD3300	Phase 2
0.7576	Intermediate Similarity	NPD3882	Suspended
0.7564	Intermediate Similarity	NPD970	Clinical (unspecified phase)
0.755	Intermediate Similarity	NPD3764	Approved
0.7548	Intermediate Similarity	NPD2935	Discontinued
0.7547	Intermediate Similarity	NPD7390	Discontinued
0.7544	Intermediate Similarity	NPD5844	Phase 1
0.7529	Intermediate Similarity	NPD8313	Approved
0.7529	Intermediate Similarity	NPD8312	Approved
0.7527	Intermediate Similarity	NPD6781	Approved
0.7527	Intermediate Similarity	NPD6778	Approved
0.7527	Intermediate Similarity	NPD6782	Approved
0.7527	Intermediate Similarity	NPD6776	Approved
0.7527	Intermediate Similarity	NPD6777	Approved
0.7527	Intermediate Similarity	NPD6779	Approved
0.7527	Intermediate Similarity	NPD6780	Approved
0.7514	Intermediate Similarity	NPD7699	Phase 2
0.7514	Intermediate Similarity	NPD7700	Phase 2
0.75	Intermediate Similarity	NPD8434	Phase 2
0.75	Intermediate Similarity	NPD6959	Discontinued
0.7483	Intermediate Similarity	NPD405	Clinical (unspecified phase)
0.7471	Intermediate Similarity	NPD4338	Clinical (unspecified phase)
0.7471	Intermediate Similarity	NPD6166	Phase 2
0.7471	Intermediate Similarity	NPD6167	Clinical (unspecified phase)
0.7471	Intermediate Similarity	NPD6168	Clinical (unspecified phase)
0.747	Intermediate Similarity	NPD4868	Clinical (unspecified phase)
0.7468	Intermediate Similarity	NPD4628	Phase 3
0.7456	Intermediate Similarity	NPD3787	Discontinued
0.7452	Intermediate Similarity	NPD1549	Phase 2
0.7451	Intermediate Similarity	NPD943	Approved
0.7447	Intermediate Similarity	NPD7874	Approved
0.7447	Intermediate Similarity	NPD7875	Clinical (unspecified phase)
0.7443	Intermediate Similarity	NPD8055	Clinical (unspecified phase)
0.7442	Intermediate Similarity	NPD7804	Clinical (unspecified phase)
0.7439	Intermediate Similarity	NPD7411	Suspended
0.7425	Intermediate Similarity	NPD3749	Approved
0.7425	Intermediate Similarity	NPD4381	Clinical (unspecified phase)
0.7419	Intermediate Similarity	NPD7211	Clinical (unspecified phase)
0.7416	Intermediate Similarity	NPD8397	Clinical (unspecified phase)
0.7407	Intermediate Similarity	NPD5403	Approved
0.7405	Intermediate Similarity	NPD7696	Phase 3
0.7405	Intermediate Similarity	NPD7697	Approved
0.7405	Intermediate Similarity	NPD7698	Approved
0.7405	Intermediate Similarity	NPD7421	Clinical (unspecified phase)
0.7391	Intermediate Similarity	NPD7422	Clinical (unspecified phase)
0.7389	Intermediate Similarity	NPD1550	Clinical (unspecified phase)
0.7389	Intermediate Similarity	NPD1552	Clinical (unspecified phase)
0.7372	Intermediate Similarity	NPD1510	Phase 2
0.7366	Intermediate Similarity	NPD7871	Phase 2
0.7366	Intermediate Similarity	NPD7870	Phase 2
0.7356	Intermediate Similarity	NPD6797	Phase 2
0.7349	Intermediate Similarity	NPD2801	Approved
0.7337	Intermediate Similarity	NPD5494	Approved
0.7314	Intermediate Similarity	NPD6559	Discontinued
0.7314	Intermediate Similarity	NPD7251	Discontinued
0.7305	Intermediate Similarity	NPD8443	Clinical (unspecified phase)
0.729	Intermediate Similarity	NPD230	Phase 1
0.7284	Intermediate Similarity	NPD5401	Approved
0.7283	Intermediate Similarity	NPD3818	Discontinued
0.7273	Intermediate Similarity	NPD7808	Phase 3
0.7267	Intermediate Similarity	NPD7236	Approved
0.7267	Intermediate Similarity	NPD7852	Clinical (unspecified phase)
0.7261	Intermediate Similarity	NPD2799	Discontinued
0.726	Intermediate Similarity	NPD9545	Approved
0.7257	Intermediate Similarity	NPD7993	Clinical (unspecified phase)
0.7251	Intermediate Similarity	NPD5711	Approved
0.7251	Intermediate Similarity	NPD5710	Approved
0.725	Intermediate Similarity	NPD3750	Approved
0.725	Intermediate Similarity	NPD1878	Clinical (unspecified phase)
0.7249	Intermediate Similarity	NPD7701	Phase 2
0.7244	Intermediate Similarity	NPD1607	Approved
0.7239	Intermediate Similarity	NPD1512	Approved
0.7226	Intermediate Similarity	NPD1240	Approved
0.7219	Intermediate Similarity	NPD1164	Approved
0.7215	Intermediate Similarity	NPD2796	Approved
0.7212	Intermediate Similarity	NPD5808	Clinical (unspecified phase)
0.7208	Intermediate Similarity	NPD2313	Discontinued
0.72	Intermediate Similarity	NPD7074	Phase 3
0.7198	Intermediate Similarity	NPD6213	Phase 3
0.7198	Intermediate Similarity	NPD6214	Clinical (unspecified phase)
0.7198	Intermediate Similarity	NPD6212	Phase 3
0.7178	Intermediate Similarity	NPD7410	Clinical (unspecified phase)
0.7176	Intermediate Similarity	NPD5537	Clinical (unspecified phase)
0.717	Intermediate Similarity	NPD1471	Phase 3
0.7161	Intermediate Similarity	NPD6663	Approved
0.716	Intermediate Similarity	NPD7768	Phase 2
0.7152	Intermediate Similarity	NPD3299	Clinical (unspecified phase)
0.7143	Intermediate Similarity	NPD7054	Approved
0.7143	Intermediate Similarity	NPD6398	Clinical (unspecified phase)
0.7143	Intermediate Similarity	NPD8166	Discontinued
0.7143	Intermediate Similarity	NPD1465	Phase 2
0.7135	Intermediate Similarity	NPD7801	Approved
0.7124	Intermediate Similarity	NPD5736	Approved
0.7123	Intermediate Similarity	NPD9493	Approved
0.7119	Intermediate Similarity	NPD7685	Pre-registration
0.7117	Intermediate Similarity	NPD1511	Approved
0.7115	Intermediate Similarity	NPD7966	Clinical (unspecified phase)
0.7115	Intermediate Similarity	NPD4060	Phase 1
0.7108	Intermediate Similarity	NPD7458	Discontinued
0.7107	Intermediate Similarity	NPD1551	Phase 2
0.7102	Intermediate Similarity	NPD7472	Approved
0.7097	Intermediate Similarity	NPD8285	Discontinued
0.7086	Intermediate Similarity	NPD7799	Discontinued
0.7079	Intermediate Similarity	NPD5028	Approved
0.7079	Intermediate Similarity	NPD4955	Approved
0.7079	Intermediate Similarity	NPD4954	Approved
0.7079	Intermediate Similarity	NPD5034	Approved
0.7079	Intermediate Similarity	NPD5026	Approved
0.7079	Intermediate Similarity	NPD36	Approved
0.7076	Intermediate Similarity	NPD919	Approved
0.7073	Intermediate Similarity	NPD7004	Clinical (unspecified phase)
0.7071	Intermediate Similarity	NPD8155	Clinical (unspecified phase)
0.707	Intermediate Similarity	NPD447	Suspended
0.7063	Intermediate Similarity	NPD2344	Approved
0.7048	Intermediate Similarity	NPD7239	Suspended
0.7044	Intermediate Similarity	NPD7033	Discontinued
0.7031	Intermediate Similarity	NPD8151	Discontinued
0.7022	Intermediate Similarity	NPD5030	Phase 2
0.7022	Intermediate Similarity	NPD8368	Discontinued
0.7017	Intermediate Similarity	NPD5037	Approved
0.7017	Intermediate Similarity	NPD5038	Approved
0.7	Intermediate Similarity	NPD6099	Approved
0.7	Intermediate Similarity	NPD6100	Approved
0.6987	Remote Similarity	NPD6798	Discontinued
0.6984	Remote Similarity	NPD6823	Phase 2
0.6982	Remote Similarity	NPD37	Approved
0.6977	Remote Similarity	NPD6234	Discontinued
0.6966	Remote Similarity	NPD5953	Discontinued
0.6962	Remote Similarity	NPD6355	Discontinued
0.6961	Remote Similarity	NPD5036	Approved
0.6959	Remote Similarity	NPD4966	Approved
0.6959	Remote Similarity	NPD4967	Phase 2
0.6959	Remote Similarity	NPD4965	Approved
0.6957	Remote Similarity	NPD5763	Approved
0.6957	Remote Similarity	NPD7266	Discontinued
0.6957	Remote Similarity	NPD5762	Approved
0.6948	Remote Similarity	NPD2798	Approved
0.6948	Remote Similarity	NPD6007	Clinical (unspecified phase)
0.6937	Remote Similarity	NPD3748	Approved
0.6933	Remote Similarity	NPD3019	Approved
0.6933	Remote Similarity	NPD7003	Approved
0.6933	Remote Similarity	NPD2932	Approved
0.6928	Remote Similarity	NPD6273	Approved
0.6927	Remote Similarity	NPD6765	Approved
0.6927	Remote Similarity	NPD6764	Approved
0.6923	Remote Similarity	NPD74	Approved
0.6923	Remote Similarity	NPD9266	Approved
0.6923	Remote Similarity	NPD5952	Clinical (unspecified phase)
0.6914	Remote Similarity	NPD3926	Phase 2
0.6909	Remote Similarity	NPD6143	Clinical (unspecified phase)
0.6908	Remote Similarity	NPD9269	Phase 2
0.6906	Remote Similarity	NPD8407	Phase 2
0.6897	Remote Similarity	NPD1247	Approved
0.6893	Remote Similarity	NPD7177	Discontinued
0.689	Remote Similarity	NPD3887	Approved
0.689	Remote Similarity	NPD2309	Approved
0.6886	Remote Similarity	NPD920	Approved
0.6883	Remote Similarity	NPD1203	Approved
0.6872	Remote Similarity	NPD7783	Phase 2
0.6872	Remote Similarity	NPD7782	Clinical (unspecified phase)
0.6871	Remote Similarity	NPD2800	Approved
0.6871	Remote Similarity	NPD2629	Approved
0.6867	Remote Similarity	NPD4196	Clinical (unspecified phase)
0.6867	Remote Similarity	NPD9268	Approved

Structure

CID120171 OpenBabel06191715472D 25 28 0 0 1 0 0 0 0 0999 V2000 -2.5981 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5981 2.5000 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 -1.7321 2.0000 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 2.5981 0.5000 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 -1.7321 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5981 -0.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8660 -0.5000 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 1.0000 0.0000 C 0 0 2 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 0.8660 0.5000 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 0.0000 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 -0.8660 0.5000 0.0000 C 0 0 2 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 -4.3301 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1962 -1.0000 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 0.0000 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5981 0.5000 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 2 1 0 0 0 0 2 4 1 0 0 0 0 3 5 2 0 0 0 0 3 6 1 0 0 0 0 4 12 1 0 0 0 0 5 10 1 0 0 0 0 6 11 2 0 0 0 0 7 13 1 0 0 0 0 8 9 1 0 0 0 0 8 17 1 0 0 0 0 9 7 1 1 0 0 0 9 24 1 0 0 0 0 10 14 2 0 0 0 0 10 15 1 0 0 0 0 11 14 1 0 0 0 0 11 19 1 0 0 0 0 12 18 1 6 0 0 0 12 24 1 0 0 0 0 13 20 2 0 0 0 0 13 21 1 0 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 15 22 2 0 0 0 0 16 23 2 0 0 0 0 17 18 1 6 0 0 0 17 25 1 0 0 0 0 18 16 1 6 0 0 0 18 25 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	9974886
ChEMBL	CHEMBL2409149
ZINC

Physicochemical Properties

Molecular Weight:	346.11
ALogP:	-2.4408
MLogP:	2.67
XLogP:	0.073
# Rotatable Bonds:	7
Polar Surface Area:	113.43
# H-Bond Aceptor:	6
# H-Bond Donor:	2
# Rings:	4
# Heavy Atoms:	25

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