NPASS Natural Product

Natural Product: NPC122491

Natural Product ID:	NPC122491
Common Name:	(-)-Tylopilusin A
IUPAC Name:	methyl (1S,5S)-1,3-dihydroxy-2,5-bis(4-hydroxyphenyl)-5-methoxy-4-oxocyclopent-2-ene-1-carboxylate
Synonyms:	(-)-Tylopilusin A
Molecular Formula:	C20H18O8
Standard InCHIKey:	ZGRDFECVAARAPE-WOJBJXKFSA-N
Standard InCHI:	InChI=1S/C20H18O8/c1-27-18(25)19(26)15(11-3-7-13(21)8-4-11)16(23)17(24)20(19,28-2)12-5-9-14(22)10-6-12/h3-10,21-23,26H,1-2H3/t19-,20-/m1/s1
Canonical SMILES:	COC(=O)[C@]1(O)C(=C(C(=O)[C@]1(OC)c1ccc(cc1)O)O)c1ccc(cc1)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
NPO32559	tylopilus eximius	Species	Boletaceae	Eukaryota	fruiting bodies			PMID[23215444]

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
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	IZ	=	9	mm	25136911

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 NPC122491 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	225
0.1-0.2	996
0.2-0.3	1935
0.3-0.4	4136
0.4-0.5	7726
0.5-0.6	4819
0.6-0.7	6784
0.7-0.8	4214
0.8-0.85	49
0.85-0.9	2
0.9-0.95	0
0.95-1	3

Similarity Score	Similarity Level	Natural Product ID
1.0	High Similarity	NPC32
0.9706	High Similarity	NPC256162
0.9706	High Similarity	NPC59775
0.8662	High Similarity	NPC255428
0.8571	High Similarity	NPC108553
0.8456	Intermediate Similarity	NPC229264
0.8411	Intermediate Similarity	NPC32197
0.8408	Intermediate Similarity	NPC164937
0.8356	Intermediate Similarity	NPC156709
0.8356	Intermediate Similarity	NPC179505
0.8261	Intermediate Similarity	NPC14141
0.8255	Intermediate Similarity	NPC474692
0.8219	Intermediate Similarity	NPC279676
0.8219	Intermediate Similarity	NPC67349
0.8212	Intermediate Similarity	NPC221383
0.8212	Intermediate Similarity	NPC299090
0.8212	Intermediate Similarity	NPC143892
0.8212	Intermediate Similarity	NPC283081
0.8194	Intermediate Similarity	NPC477299
0.8169	Intermediate Similarity	NPC214246
0.8158	Intermediate Similarity	NPC471076
0.8158	Intermediate Similarity	NPC192568
0.8146	Intermediate Similarity	NPC205389
0.8133	Intermediate Similarity	NPC304956
0.8099	Intermediate Similarity	NPC217431
0.8089	Intermediate Similarity	NPC123208
0.8082	Intermediate Similarity	NPC182217
0.8082	Intermediate Similarity	NPC233350
0.8082	Intermediate Similarity	NPC70680
0.8079	Intermediate Similarity	NPC53884
0.8079	Intermediate Similarity	NPC258671
0.8065	Intermediate Similarity	NPC246566
0.8065	Intermediate Similarity	NPC95498
0.8054	Intermediate Similarity	NPC136649
0.8052	Intermediate Similarity	NPC240592
0.8052	Intermediate Similarity	NPC117346
0.805	Intermediate Similarity	NPC208676
0.805	Intermediate Similarity	NPC130489
0.8041	Intermediate Similarity	NPC24295
0.8041	Intermediate Similarity	NPC283560
0.8039	Intermediate Similarity	NPC232583
0.8039	Intermediate Similarity	NPC25484
0.8038	Intermediate Similarity	NPC329997
0.8014	Intermediate Similarity	NPC68517
0.8014	Intermediate Similarity	NPC106406
0.8013	Intermediate Similarity	NPC183824
0.8012	Intermediate Similarity	NPC161151
0.8	Intermediate Similarity	NPC477098
0.8	Intermediate Similarity	NPC289021
0.8	Intermediate Similarity	NPC45307
0.8	Intermediate Similarity	NPC158546
0.8	Intermediate Similarity	NPC327204
0.8	Intermediate Similarity	NPC323379
0.8	Intermediate Similarity	NPC477100
0.7987	Intermediate Similarity	NPC475413
0.7987	Intermediate Similarity	NPC161955
0.7987	Intermediate Similarity	NPC474303
0.7987	Intermediate Similarity	NPC473497
0.7987	Intermediate Similarity	NPC242355
0.7975	Intermediate Similarity	NPC475378
0.7974	Intermediate Similarity	NPC322660
0.795	Intermediate Similarity	NPC322982
0.7949	Intermediate Similarity	NPC478235
0.7947	Intermediate Similarity	NPC285550
0.7945	Intermediate Similarity	NPC477280
0.7945	Intermediate Similarity	NPC202743
0.7945	Intermediate Similarity	NPC215484
0.7945	Intermediate Similarity	NPC477281
0.7945	Intermediate Similarity	NPC168799
0.7945	Intermediate Similarity	NPC155209
0.7945	Intermediate Similarity	NPC19719
0.7935	Intermediate Similarity	NPC280753
0.7935	Intermediate Similarity	NPC44378
0.7911	Intermediate Similarity	NPC317585
0.7898	Intermediate Similarity	NPC229354
0.7881	Intermediate Similarity	NPC82467
0.7881	Intermediate Similarity	NPC31751
0.7881	Intermediate Similarity	NPC253722
0.7881	Intermediate Similarity	NPC253481
0.7877	Intermediate Similarity	NPC173034
0.7877	Intermediate Similarity	NPC61
0.7877	Intermediate Similarity	NPC18074
0.7877	Intermediate Similarity	NPC5419
0.7877	Intermediate Similarity	NPC25581
0.7875	Intermediate Similarity	NPC329743
0.7871	Intermediate Similarity	NPC96599
0.7871	Intermediate Similarity	NPC94781
0.7871	Intermediate Similarity	NPC478234
0.7871	Intermediate Similarity	NPC478236
0.7867	Intermediate Similarity	NPC476819
0.7867	Intermediate Similarity	NPC303683
0.7867	Intermediate Similarity	NPC476820
0.7867	Intermediate Similarity	NPC205751
0.7867	Intermediate Similarity	NPC474875
0.7867	Intermediate Similarity	NPC26241
0.7867	Intermediate Similarity	NPC295492
0.7867	Intermediate Similarity	NPC274891
0.7852	Intermediate Similarity	NPC308976
0.7852	Intermediate Similarity	NPC170718
0.7843	Intermediate Similarity	NPC170668
0.7843	Intermediate Similarity	NPC210330
0.7834	Intermediate Similarity	NPC471229
0.7829	Intermediate Similarity	NPC220664
0.7829	Intermediate Similarity	NPC192831
0.7829	Intermediate Similarity	NPC258469
0.7829	Intermediate Similarity	NPC43158
0.7829	Intermediate Similarity	NPC277315
0.7829	Intermediate Similarity	NPC37331
0.7829	Intermediate Similarity	NPC186296
0.7829	Intermediate Similarity	NPC303090
0.7829	Intermediate Similarity	NPC472016
0.7829	Intermediate Similarity	NPC319628
0.7829	Intermediate Similarity	NPC284948
0.7826	Intermediate Similarity	NPC310399
0.7826	Intermediate Similarity	NPC73422
0.7821	Intermediate Similarity	NPC120171
0.7821	Intermediate Similarity	NPC277032
0.7821	Intermediate Similarity	NPC35097
0.7815	Intermediate Similarity	NPC7518
0.7815	Intermediate Similarity	NPC469911
0.7815	Intermediate Similarity	NPC154262
0.7815	Intermediate Similarity	NPC137501
0.7815	Intermediate Similarity	NPC477279
0.7815	Intermediate Similarity	NPC159387
0.7812	Intermediate Similarity	NPC40920
0.7812	Intermediate Similarity	NPC223335
0.7812	Intermediate Similarity	NPC473395
0.7812	Intermediate Similarity	NPC476340
0.7808	Intermediate Similarity	NPC198388
0.7806	Intermediate Similarity	NPC477099
0.7806	Intermediate Similarity	NPC189631
0.7806	Intermediate Similarity	NPC477097
0.7806	Intermediate Similarity	NPC477101
0.7806	Intermediate Similarity	NPC1580
0.78	Intermediate Similarity	NPC142703
0.78	Intermediate Similarity	NPC37250
0.78	Intermediate Similarity	NPC278068
0.78	Intermediate Similarity	NPC152942
0.78	Intermediate Similarity	NPC302857
0.78	Intermediate Similarity	NPC219428
0.78	Intermediate Similarity	NPC475660
0.7799	Intermediate Similarity	NPC471456
0.7794	Intermediate Similarity	NPC221870
0.7792	Intermediate Similarity	NPC473147
0.7792	Intermediate Similarity	NPC474268
0.7792	Intermediate Similarity	NPC119773
0.7792	Intermediate Similarity	NPC475539
0.7792	Intermediate Similarity	NPC143246
0.7791	Intermediate Similarity	NPC223006
0.7791	Intermediate Similarity	NPC173729
0.7791	Intermediate Similarity	NPC134047
0.7791	Intermediate Similarity	NPC272750
0.7785	Intermediate Similarity	NPC210597
0.7785	Intermediate Similarity	NPC86772
0.7785	Intermediate Similarity	NPC475549
0.7778	Intermediate Similarity	NPC470130
0.7778	Intermediate Similarity	NPC296659
0.7778	Intermediate Similarity	NPC90336
0.7778	Intermediate Similarity	NPC202391
0.7771	Intermediate Similarity	NPC178048
0.7771	Intermediate Similarity	NPC56204
0.7771	Intermediate Similarity	NPC474620
0.7771	Intermediate Similarity	NPC267117
0.7764	Intermediate Similarity	NPC469654
0.7764	Intermediate Similarity	NPC209473
0.7763	Intermediate Similarity	NPC35702
0.7763	Intermediate Similarity	NPC206095
0.7763	Intermediate Similarity	NPC471027
0.7763	Intermediate Similarity	NPC477277
0.7763	Intermediate Similarity	NPC13818
0.7763	Intermediate Similarity	NPC297517
0.7763	Intermediate Similarity	NPC477335
0.7763	Intermediate Similarity	NPC477278
0.7763	Intermediate Similarity	NPC224389
0.7748	Intermediate Similarity	NPC288452
0.7748	Intermediate Similarity	NPC289690
0.7748	Intermediate Similarity	NPC191280
0.7744	Intermediate Similarity	NPC88243
0.774	Intermediate Similarity	NPC217052
0.774	Intermediate Similarity	NPC237506
0.774	Intermediate Similarity	NPC329344
0.774	Intermediate Similarity	NPC32626
0.7736	Intermediate Similarity	NPC137301
0.7736	Intermediate Similarity	NPC209760
0.7736	Intermediate Similarity	NPC100134
0.7736	Intermediate Similarity	NPC478231
0.7733	Intermediate Similarity	NPC325805
0.7733	Intermediate Similarity	NPC473301
0.7733	Intermediate Similarity	NPC272523
0.773	Intermediate Similarity	NPC144557
0.7727	Intermediate Similarity	NPC477095
0.7727	Intermediate Similarity	NPC475528
0.7727	Intermediate Similarity	NPC223185
0.7722	Intermediate Similarity	NPC205918
0.7722	Intermediate Similarity	NPC265862
0.7722	Intermediate Similarity	NPC295650
0.7722	Intermediate Similarity	NPC92747
0.7722	Intermediate Similarity	NPC194705
0.7716	Intermediate Similarity	NPC44507
0.7712	Intermediate Similarity	NPC478250

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC122491 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	251
0.1-0.2	776
0.2-0.3	1422
0.3-0.4	2537
0.4-0.5	2256
0.5-0.6	1324
0.6-0.7	508
0.7-0.8	87
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
0.7829	Intermediate Similarity	NPD6190	Approved
0.774	Intermediate Similarity	NPD3764	Approved
0.7702	Intermediate Similarity	NPD7075	Discontinued
0.7613	Intermediate Similarity	NPD6799	Approved
0.7547	Intermediate Similarity	NPD6599	Discontinued
0.7532	Intermediate Similarity	NPD4628	Phase 3
0.7516	Intermediate Similarity	NPD7096	Clinical (unspecified phase)
0.75	Intermediate Similarity	NPD8055	Clinical (unspecified phase)
0.7469	Intermediate Similarity	NPD3817	Phase 2
0.7467	Intermediate Similarity	NPD6355	Discontinued
0.7453	Intermediate Similarity	NPD6801	Discontinued
0.7452	Intermediate Similarity	NPD4378	Clinical (unspecified phase)
0.7423	Intermediate Similarity	NPD3882	Suspended
0.741	Intermediate Similarity	NPD6232	Discontinued
0.7386	Intermediate Similarity	NPD2935	Discontinued
0.7381	Intermediate Similarity	NPD7473	Discontinued
0.7368	Intermediate Similarity	NPD7685	Pre-registration
0.7333	Intermediate Similarity	NPD6233	Phase 2
0.7329	Intermediate Similarity	NPD4380	Phase 2
0.7324	Intermediate Similarity	NPD9545	Approved
0.7286	Intermediate Similarity	NPD690	Clinical (unspecified phase)
0.7285	Intermediate Similarity	NPD7966	Clinical (unspecified phase)
0.7285	Intermediate Similarity	NPD1240	Approved
0.7278	Intermediate Similarity	NPD6143	Clinical (unspecified phase)
0.7267	Intermediate Similarity	NPD6798	Discontinued
0.7256	Intermediate Similarity	NPD5402	Approved
0.725	Intermediate Similarity	NPD5403	Approved
0.7237	Intermediate Similarity	NPD230	Phase 1
0.723	Intermediate Similarity	NPD5647	Approved
0.7208	Intermediate Similarity	NPD1510	Phase 2
0.7208	Intermediate Similarity	NPD2799	Discontinued
0.72	Intermediate Similarity	NPD7095	Approved
0.7195	Intermediate Similarity	NPD2801	Approved
0.7193	Intermediate Similarity	NPD7804	Clinical (unspecified phase)
0.7191	Intermediate Similarity	NPD7879	Clinical (unspecified phase)
0.719	Intermediate Similarity	NPD1607	Approved
0.7169	Intermediate Similarity	NPD4381	Clinical (unspecified phase)
0.716	Intermediate Similarity	NPD3226	Approved
0.7159	Intermediate Similarity	NPD8434	Phase 2
0.7152	Intermediate Similarity	NPD2354	Approved
0.7134	Intermediate Similarity	NPD1934	Approved
0.7134	Intermediate Similarity	NPD7421	Clinical (unspecified phase)
0.7126	Intermediate Similarity	NPD4338	Clinical (unspecified phase)
0.7125	Intermediate Similarity	NPD5401	Approved
0.7118	Intermediate Similarity	NPD6166	Phase 2
0.7118	Intermediate Similarity	NPD6167	Clinical (unspecified phase)
0.7118	Intermediate Similarity	NPD6168	Clinical (unspecified phase)
0.7115	Intermediate Similarity	NPD2344	Approved
0.7108	Intermediate Similarity	NPD4868	Clinical (unspecified phase)
0.7105	Intermediate Similarity	NPD4062	Phase 3
0.7097	Intermediate Similarity	NPD7033	Discontinued
0.7095	Intermediate Similarity	NPD1876	Approved
0.7091	Intermediate Similarity	NPD7819	Suspended
0.7091	Intermediate Similarity	NPD2393	Clinical (unspecified phase)
0.7089	Intermediate Similarity	NPD3750	Approved
0.7089	Intermediate Similarity	NPD1878	Clinical (unspecified phase)
0.7081	Intermediate Similarity	NPD1512	Approved
0.7075	Intermediate Similarity	NPD1608	Approved
0.7073	Intermediate Similarity	NPD7411	Suspended
0.707	Intermediate Similarity	NPD970	Clinical (unspecified phase)
0.7066	Intermediate Similarity	NPD3749	Approved
0.7063	Intermediate Similarity	NPD9493	Approved
0.7062	Intermediate Similarity	NPD8150	Discontinued
0.7059	Intermediate Similarity	NPD4060	Phase 1
0.7059	Intermediate Similarity	NPD943	Approved
0.7059	Intermediate Similarity	NPD7184	Clinical (unspecified phase)
0.7039	Intermediate Similarity	NPD3268	Approved
0.7039	Intermediate Similarity	NPD6859	Clinical (unspecified phase)
0.7037	Intermediate Similarity	NPD6980	Clinical (unspecified phase)
0.7035	Intermediate Similarity	NPD3818	Discontinued
0.7019	Intermediate Similarity	NPD2532	Approved
0.7019	Intermediate Similarity	NPD7410	Clinical (unspecified phase)
0.7019	Intermediate Similarity	NPD2534	Approved
0.7019	Intermediate Similarity	NPD2533	Approved
0.7011	Intermediate Similarity	NPD6797	Phase 2
0.7006	Intermediate Similarity	NPD7266	Discontinued
0.7006	Intermediate Similarity	NPD6006	Clinical (unspecified phase)
0.7006	Intermediate Similarity	NPD1552	Clinical (unspecified phase)
0.7006	Intermediate Similarity	NPD5762	Approved
0.7006	Intermediate Similarity	NPD1550	Clinical (unspecified phase)
0.7006	Intermediate Similarity	NPD5763	Approved
0.7006	Intermediate Similarity	NPD6003	Clinical (unspecified phase)
0.7006	Intermediate Similarity	NPD6005	Phase 3
0.7006	Intermediate Similarity	NPD6002	Phase 3
0.7006	Intermediate Similarity	NPD6004	Phase 3
0.7	Intermediate Similarity	NPD7236	Approved
0.7	Intermediate Similarity	NPD6007	Clinical (unspecified phase)
0.6971	Remote Similarity	NPD7251	Discontinued
0.6968	Remote Similarity	NPD6653	Approved
0.6962	Remote Similarity	NPD5958	Discontinued
0.6962	Remote Similarity	NPD4534	Discontinued
0.6962	Remote Similarity	NPD1549	Phase 2
0.6957	Remote Similarity	NPD1511	Approved
0.6946	Remote Similarity	NPD8443	Clinical (unspecified phase)
0.6937	Remote Similarity	NPD3887	Approved
0.6937	Remote Similarity	NPD2309	Approved
0.6936	Remote Similarity	NPD7799	Discontinued
0.6936	Remote Similarity	NPD3751	Discontinued
0.6933	Remote Similarity	NPD2797	Approved
0.6933	Remote Similarity	NPD1164	Approved
0.6933	Remote Similarity	NPD1470	Approved
0.6932	Remote Similarity	NPD7808	Phase 3
0.6928	Remote Similarity	NPD2313	Discontinued
0.6928	Remote Similarity	NPD37	Approved
0.6923	Remote Similarity	NPD6234	Discontinued
0.6919	Remote Similarity	NPD7852	Clinical (unspecified phase)
0.6914	Remote Similarity	NPD7993	Clinical (unspecified phase)
0.6913	Remote Similarity	NPD4379	Clinical (unspecified phase)
0.6905	Remote Similarity	NPD7768	Phase 2
0.6903	Remote Similarity	NPD4340	Discontinued
0.6899	Remote Similarity	NPD2355	Clinical (unspecified phase)
0.6899	Remote Similarity	NPD2353	Approved
0.689	Remote Similarity	NPD7239	Suspended
0.6887	Remote Similarity	NPD2798	Approved
0.6886	Remote Similarity	NPD7972	Discontinued
0.6883	Remote Similarity	NPD6663	Approved
0.6879	Remote Similarity	NPD1509	Clinical (unspecified phase)
0.6879	Remote Similarity	NPD651	Clinical (unspecified phase)
0.6875	Remote Similarity	NPD8166	Discontinued
0.6875	Remote Similarity	NPD4198	Discontinued
0.6875	Remote Similarity	NPD6559	Discontinued
0.6871	Remote Similarity	NPD5049	Phase 3
0.6871	Remote Similarity	NPD17	Approved
0.6867	Remote Similarity	NPD1283	Approved
0.686	Remote Similarity	NPD3926	Phase 2
0.6857	Remote Similarity	NPD7074	Phase 3
0.6848	Remote Similarity	NPD7458	Discontinued
0.6846	Remote Similarity	NPD3972	Approved
0.6846	Remote Similarity	NPD1481	Phase 2
0.6842	Remote Similarity	NPD5736	Approved
0.6842	Remote Similarity	NPD7199	Phase 2
0.6835	Remote Similarity	NPD5405	Approved
0.6835	Remote Similarity	NPD5404	Approved
0.6835	Remote Similarity	NPD2796	Approved
0.6835	Remote Similarity	NPD5406	Approved
0.6835	Remote Similarity	NPD5408	Approved
0.6835	Remote Similarity	NPD1551	Phase 2
0.6824	Remote Similarity	NPD3847	Discontinued
0.6821	Remote Similarity	NPD1203	Approved
0.6818	Remote Similarity	NPD5953	Discontinued
0.6813	Remote Similarity	NPD2800	Approved
0.6809	Remote Similarity	NPD2067	Discontinued
0.6809	Remote Similarity	NPD7435	Discontinued
0.6807	Remote Similarity	NPD7028	Phase 2
0.6805	Remote Similarity	NPD4967	Phase 2
0.6805	Remote Similarity	NPD4966	Approved
0.6805	Remote Similarity	NPD4965	Approved
0.6802	Remote Similarity	NPD3787	Discontinued
0.68	Remote Similarity	NPD7054	Approved
0.6797	Remote Similarity	NPD6832	Phase 2
0.6796	Remote Similarity	NPD8397	Clinical (unspecified phase)
0.6792	Remote Similarity	NPD2343	Clinical (unspecified phase)
0.6792	Remote Similarity	NPD2346	Discontinued
0.6786	Remote Similarity	NPD8455	Phase 2
0.6786	Remote Similarity	NPD1465	Phase 2
0.6786	Remote Similarity	NPD9265	Clinical (unspecified phase)
0.6779	Remote Similarity	NPD1535	Discovery
0.6779	Remote Similarity	NPD1201	Approved
0.6772	Remote Similarity	NPD8320	Phase 1
0.6772	Remote Similarity	NPD8319	Approved
0.6772	Remote Similarity	NPD3748	Approved
0.677	Remote Similarity	NPD3400	Discontinued
0.6768	Remote Similarity	NPD6273	Approved
0.6761	Remote Similarity	NPD7472	Approved
0.6757	Remote Similarity	NPD3019	Approved
0.6757	Remote Similarity	NPD2932	Approved
0.6753	Remote Similarity	NPD3027	Phase 3
0.675	Remote Similarity	NPD2424	Discontinued
0.6748	Remote Similarity	NPD7390	Discontinued
0.6739	Remote Similarity	NPD6535	Approved
0.6739	Remote Similarity	NPD6534	Approved
0.6733	Remote Similarity	NPD9269	Phase 2
0.673	Remote Similarity	NPD2438	Suspended
0.6727	Remote Similarity	NPD920	Approved
0.6725	Remote Similarity	NPD919	Approved
0.6711	Remote Similarity	NPD3266	Approved
0.6711	Remote Similarity	NPD3267	Approved
0.6711	Remote Similarity	NPD3094	Phase 2
0.6709	Remote Similarity	NPD7097	Phase 1
0.6707	Remote Similarity	NPD7004	Clinical (unspecified phase)
0.6707	Remote Similarity	NPD7422	Clinical (unspecified phase)
0.6704	Remote Similarity	NPD8313	Approved
0.6704	Remote Similarity	NPD8312	Approved
0.669	Remote Similarity	NPD2629	Approved
0.6688	Remote Similarity	NPD447	Suspended
0.6687	Remote Similarity	NPD1471	Phase 3
0.6687	Remote Similarity	NPD3300	Phase 2
0.6686	Remote Similarity	NPD5760	Phase 2
0.6686	Remote Similarity	NPD5761	Phase 2
0.6686	Remote Similarity	NPD5494	Approved
0.6685	Remote Similarity	NPD6764	Approved
0.6685	Remote Similarity	NPD6765	Approved
0.6667	Remote Similarity	NPD6085	Phase 2
0.6667	Remote Similarity	NPD7003	Approved
0.6667	Remote Similarity	NPD5740	Clinical (unspecified phase)
0.6667	Remote Similarity	NPD6398	Clinical (unspecified phase)
0.6667	Remote Similarity	NPD1281	Approved
0.6667	Remote Similarity	NPD4308	Phase 3
0.6649	Remote Similarity	NPD6782	Approved
0.6649	Remote Similarity	NPD6777	Approved

Structure

NPC122491 OpenBabel07101719242D 28 30 0 0 1 0 0 0 0 0999 V2000 0.2521 3.3237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8381 -1.4516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9539 2.5840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9391 1.2279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6762 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8381 1.4516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7368 3.1528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7220 1.7967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5143 0.4839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6762 1.9355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0550 1.6215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8381 0.4839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6209 2.7592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5143 1.4516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4892 0.4839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4892 -0.4839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5688 -0.7829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7700 1.7295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5688 0.7829 0.0000 C 0 0 1 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 5.4038 3.3280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3524 1.9355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2721 -1.0527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2698 -1.7033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6904 2.0286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1503 1.4305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0509 2.3771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8381 -0.4839 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 27 1 0 0 0 0 2 28 1 0 0 0 0 3 7 1 0 0 0 0 3 11 2 0 0 0 0 4 8 2 0 0 0 0 4 11 1 0 0 0 0 5 9 1 0 0 0 0 5 12 2 0 0 0 0 6 10 2 0 0 0 0 6 12 1 0 0 0 0 7 13 2 0 0 0 0 8 13 1 0 0 0 0 9 14 2 0 0 0 0 10 14 1 0 0 0 0 11 15 1 0 0 0 0 12 20 1 0 0 0 0 13 21 1 0 0 0 0 14 22 1 0 0 0 0 15 16 2 0 0 0 0 15 19 1 0 0 0 0 16 17 1 0 0 0 0 16 23 1 0 0 0 0 17 20 1 0 0 0 0 17 24 2 0 0 0 0 18 19 1 0 0 0 0 18 25 2 0 0 0 0 18 27 1 0 0 0 0 19 20 1 6 0 0 0 19 26 1 0 0 0 0 20 28 1 1 0 0 0 M END $$$$

External Identifiers

PubChem CID	71459811
ChEMBL	CHEMBL2208231
ZINC

Physicochemical Properties

Molecular Weight:	386.10
ALogP:	-2.546
MLogP:	2.78
XLogP:	1.132
# Rotatable Bonds:	11
Polar Surface Area:	133.52
# H-Bond Aceptor:	6
# H-Bond Donor:	4
# Rings:	3
# Heavy Atoms:	28

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