NPASS Natural Product

Natural Product: NPC241636

Natural Product ID:	NPC241636
Common Name:	Epolone A
IUPAC Name:
Synonyms:
Molecular Formula:	C32H40O6
Standard InCHIKey:	ZQYXYYCCRVOYQU-VRILQHAJSA-N
Standard InCHI:	InChI=1S/C32H40O6/c1-18-10-22(33)15-27-23(18)12-20-14-29(36)32(6)21(17-30(3,4)8-7-9-31(20,5)37-27)13-24-19(2)11-25(34)26(35)16-28(24)38-32/h7-8,10-11,15-16,20-21,29,33,36H,9,12-14,17H2,1-6H3,(H,34,35)/b8-7+/t20-,21+,29+,31-,32-/m1/s1
Canonical SMILES:	Oc1cc(C)c2c(c1)O[C@]1([C@H](C2)C[C@H](O)[C@]2(C)Oc3cc(O)c(=O)cc(c3C[C@H]2CC(/C=C/C1)(C)C)C)C
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
NPO32537	unidentified ascomycete	Species	NA	NA				PMID[18095654]
NPO33026	os-f69284	NA	NA	NA				PMID[9644066]

Biological Activity

Activity Type	# Activity
Others	4

Activity Type	# Activity
Others	4

Target ID	Target Type	Target Name	Activity Type	Activity Relation	Value	Unit	Reference
NPT2	Others	Unspecified	Activity	=	45	mU/ml	23398362
NPT2	Others	Unspecified	Activity	=	1	nM	23398362
NPT2	Others	Unspecified	Ratio	=	26		23398362
NPT2	Others	Unspecified	IC90	>	40000	nM	23544451

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 NPC241636 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	281
0.1-0.2	1032
0.2-0.3	2188
0.3-0.4	4752
0.4-0.5	7741
0.5-0.6	3437
0.6-0.7	4512
0.7-0.8	6586
0.8-0.85	359
0.85-0.9	1
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Natural Product ID
0.8503	High Similarity	NPC131198
0.8477	Intermediate Similarity	NPC469701
0.8456	Intermediate Similarity	NPC195357
0.8456	Intermediate Similarity	NPC152771
0.8456	Intermediate Similarity	NPC287286
0.8446	Intermediate Similarity	NPC279573
0.8435	Intermediate Similarity	NPC472800
0.8435	Intermediate Similarity	NPC87043
0.8435	Intermediate Similarity	NPC476420
0.8431	Intermediate Similarity	NPC473876
0.8421	Intermediate Similarity	NPC471608
0.8411	Intermediate Similarity	NPC471824
0.8389	Intermediate Similarity	NPC312881
0.8389	Intermediate Similarity	NPC144284
0.8387	Intermediate Similarity	NPC302915
0.8378	Intermediate Similarity	NPC281014
0.8378	Intermediate Similarity	NPC153818
0.8378	Intermediate Similarity	NPC232246
0.8378	Intermediate Similarity	NPC225106
0.8378	Intermediate Similarity	NPC294456
0.8378	Intermediate Similarity	NPC212124
0.8378	Intermediate Similarity	NPC184861
0.8355	Intermediate Similarity	NPC476843
0.8355	Intermediate Similarity	NPC476841
0.8333	Intermediate Similarity	NPC138149
0.8333	Intermediate Similarity	NPC157783
0.8323	Intermediate Similarity	NPC158784
0.8322	Intermediate Similarity	NPC151946
0.8322	Intermediate Similarity	NPC211110
0.8311	Intermediate Similarity	NPC38099
0.8311	Intermediate Similarity	NPC78746
0.8311	Intermediate Similarity	NPC188380
0.8311	Intermediate Similarity	NPC234952
0.8311	Intermediate Similarity	NPC26954
0.8311	Intermediate Similarity	NPC224543
0.8289	Intermediate Similarity	NPC473845
0.8278	Intermediate Similarity	NPC20631
0.8278	Intermediate Similarity	NPC93640
0.8269	Intermediate Similarity	NPC2745
0.8264	Intermediate Similarity	NPC87224
0.8264	Intermediate Similarity	NPC222572
0.8255	Intermediate Similarity	NPC155963
0.8247	Intermediate Similarity	NPC476347
0.8243	Intermediate Similarity	NPC61946
0.8243	Intermediate Similarity	NPC164787
0.8243	Intermediate Similarity	NPC151224
0.8243	Intermediate Similarity	NPC472525
0.8235	Intermediate Similarity	NPC472457
0.8235	Intermediate Similarity	NPC90645
0.8231	Intermediate Similarity	NPC92805
0.8228	Intermediate Similarity	NPC60084
0.8228	Intermediate Similarity	NPC473736
0.8219	Intermediate Similarity	NPC162801
0.8219	Intermediate Similarity	NPC103799
0.8219	Intermediate Similarity	NPC272650
0.8219	Intermediate Similarity	NPC267336
0.8219	Intermediate Similarity	NPC29734
0.8217	Intermediate Similarity	NPC325860
0.8212	Intermediate Similarity	NPC471389
0.8212	Intermediate Similarity	NPC35216
0.8212	Intermediate Similarity	NPC83375
0.8212	Intermediate Similarity	NPC224876
0.821	Intermediate Similarity	NPC472964
0.8207	Intermediate Similarity	NPC472797
0.8205	Intermediate Similarity	NPC195561
0.82	Intermediate Similarity	NPC471388
0.82	Intermediate Similarity	NPC475836
0.82	Intermediate Similarity	NPC32630
0.8199	Intermediate Similarity	NPC470183
0.8194	Intermediate Similarity	NPC187398
0.8194	Intermediate Similarity	NPC476348
0.8194	Intermediate Similarity	NPC212142
0.8194	Intermediate Similarity	NPC473408
0.8188	Intermediate Similarity	NPC302701
0.8188	Intermediate Similarity	NPC162659
0.8188	Intermediate Similarity	NPC262585
0.8188	Intermediate Similarity	NPC474639
0.8188	Intermediate Similarity	NPC230734
0.8188	Intermediate Similarity	NPC306441
0.8188	Intermediate Similarity	NPC269091
0.8188	Intermediate Similarity	NPC270456
0.8188	Intermediate Similarity	NPC248727
0.8188	Intermediate Similarity	NPC18189
0.8188	Intermediate Similarity	NPC126101
0.8188	Intermediate Similarity	NPC16435
0.8188	Intermediate Similarity	NPC20829
0.8188	Intermediate Similarity	NPC265433
0.8188	Intermediate Similarity	NPC327735
0.8188	Intermediate Similarity	NPC227503
0.8182	Intermediate Similarity	NPC212697
0.8182	Intermediate Similarity	NPC233980
0.8176	Intermediate Similarity	NPC326600
0.8176	Intermediate Similarity	NPC213173
0.8176	Intermediate Similarity	NPC62366
0.8176	Intermediate Similarity	NPC50896
0.8176	Intermediate Similarity	NPC124085
0.8176	Intermediate Similarity	NPC224475
0.8176	Intermediate Similarity	NPC267242
0.8176	Intermediate Similarity	NPC117048
0.8176	Intermediate Similarity	NPC473107
0.8176	Intermediate Similarity	NPC180716
0.8176	Intermediate Similarity	NPC204353
0.817	Intermediate Similarity	NPC471763
0.817	Intermediate Similarity	NPC473108
0.817	Intermediate Similarity	NPC50250
0.8165	Intermediate Similarity	NPC470769
0.8165	Intermediate Similarity	NPC149735
0.8165	Intermediate Similarity	NPC475141
0.816	Intermediate Similarity	NPC469395
0.816	Intermediate Similarity	NPC474240
0.8158	Intermediate Similarity	NPC193722
0.8158	Intermediate Similarity	NPC476840
0.8158	Intermediate Similarity	NPC475891
0.8158	Intermediate Similarity	NPC476842
0.8158	Intermediate Similarity	NPC278469
0.8158	Intermediate Similarity	NPC2613
0.8158	Intermediate Similarity	NPC204347
0.8158	Intermediate Similarity	NPC59841
0.8153	Intermediate Similarity	NPC477379
0.8151	Intermediate Similarity	NPC113098
0.8146	Intermediate Similarity	NPC198038
0.8146	Intermediate Similarity	NPC234568
0.8146	Intermediate Similarity	NPC184797
0.8146	Intermediate Similarity	NPC309124
0.8138	Intermediate Similarity	NPC148366
0.8138	Intermediate Similarity	NPC211179
0.8138	Intermediate Similarity	NPC311293
0.8138	Intermediate Similarity	NPC38604
0.8133	Intermediate Similarity	NPC474687
0.8133	Intermediate Similarity	NPC313717
0.8133	Intermediate Similarity	NPC315306
0.8133	Intermediate Similarity	NPC306365
0.8129	Intermediate Similarity	NPC474397
0.8129	Intermediate Similarity	NPC178129
0.8129	Intermediate Similarity	NPC30720
0.8125	Intermediate Similarity	NPC10754
0.8125	Intermediate Similarity	NPC20530
0.8125	Intermediate Similarity	NPC50315
0.8125	Intermediate Similarity	NPC230479
0.8125	Intermediate Similarity	NPC283049
0.8125	Intermediate Similarity	NPC215917
0.8125	Intermediate Similarity	NPC26879
0.8121	Intermediate Similarity	NPC472424
0.8121	Intermediate Similarity	NPC281241
0.8121	Intermediate Similarity	NPC260898
0.8121	Intermediate Similarity	NPC112246
0.8121	Intermediate Similarity	NPC47398
0.8121	Intermediate Similarity	NPC471625
0.8121	Intermediate Similarity	NPC234333
0.8121	Intermediate Similarity	NPC474206
0.8121	Intermediate Similarity	NPC86892
0.8121	Intermediate Similarity	NPC470356
0.8121	Intermediate Similarity	NPC94750
0.8121	Intermediate Similarity	NPC112939
0.8121	Intermediate Similarity	NPC121812
0.8121	Intermediate Similarity	NPC471909
0.8121	Intermediate Similarity	NPC327382
0.8117	Intermediate Similarity	NPC85624
0.8117	Intermediate Similarity	NPC86069
0.8113	Intermediate Similarity	NPC293286
0.811	Intermediate Similarity	NPC475888
0.8108	Intermediate Similarity	NPC318400
0.8108	Intermediate Similarity	NPC31849
0.8108	Intermediate Similarity	NPC471910
0.8108	Intermediate Similarity	NPC207002
0.8108	Intermediate Similarity	NPC469449
0.8108	Intermediate Similarity	NPC85435
0.8108	Intermediate Similarity	NPC11060
0.8108	Intermediate Similarity	NPC133956
0.8108	Intermediate Similarity	NPC296624
0.8108	Intermediate Similarity	NPC263064
0.8108	Intermediate Similarity	NPC469610
0.8108	Intermediate Similarity	NPC167111
0.8105	Intermediate Similarity	NPC474104
0.8101	Intermediate Similarity	NPC471229
0.8101	Intermediate Similarity	NPC160196
0.8099	Intermediate Similarity	NPC74137
0.8098	Intermediate Similarity	NPC211107
0.8095	Intermediate Similarity	NPC164804
0.8095	Intermediate Similarity	NPC469907
0.8095	Intermediate Similarity	NPC211413
0.8095	Intermediate Similarity	NPC293203
0.8095	Intermediate Similarity	NPC118683
0.8095	Intermediate Similarity	NPC68205
0.8095	Intermediate Similarity	NPC244888
0.8092	Intermediate Similarity	NPC265075
0.8092	Intermediate Similarity	NPC300611
0.8092	Intermediate Similarity	NPC178054
0.8089	Intermediate Similarity	NPC120426
0.8089	Intermediate Similarity	NPC205727
0.8089	Intermediate Similarity	NPC294522
0.8089	Intermediate Similarity	NPC470916
0.8089	Intermediate Similarity	NPC21184
0.8089	Intermediate Similarity	NPC477381
0.8086	Intermediate Similarity	NPC472902
0.8082	Intermediate Similarity	NPC93962
0.8082	Intermediate Similarity	NPC472796
0.8082	Intermediate Similarity	NPC472795
0.8079	Intermediate Similarity	NPC70682
0.8079	Intermediate Similarity	NPC236306

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC241636 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	284
0.1-0.2	814
0.2-0.3	1649
0.3-0.4	2611
0.4-0.5	2004
0.5-0.6	1036
0.6-0.7	625
0.7-0.8	135
0.8-0.85	3
0.85-0.9	0
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.8151	Intermediate Similarity	NPD6410	Clinical (unspecified phase)
0.8041	Intermediate Similarity	NPD1613	Approved
0.8041	Intermediate Similarity	NPD1612	Clinical (unspecified phase)
0.7922	Intermediate Similarity	NPD6398	Clinical (unspecified phase)
0.7895	Intermediate Similarity	NPD6100	Approved
0.7895	Intermediate Similarity	NPD6099	Approved
0.7891	Intermediate Similarity	NPD4908	Phase 1
0.7867	Intermediate Similarity	NPD5123	Clinical (unspecified phase)
0.7867	Intermediate Similarity	NPD5124	Phase 1
0.78	Intermediate Similarity	NPD4060	Phase 1
0.7799	Intermediate Similarity	NPD1653	Approved
0.7793	Intermediate Similarity	NPD4749	Approved
0.7785	Intermediate Similarity	NPD4907	Clinical (unspecified phase)
0.7778	Intermediate Similarity	NPD1610	Phase 2
0.777	Intermediate Similarity	NPD1529	Clinical (unspecified phase)
0.7744	Intermediate Similarity	NPD7075	Discontinued
0.7742	Intermediate Similarity	NPD1652	Phase 2
0.7718	Intermediate Similarity	NPD4625	Phase 3
0.7718	Intermediate Similarity	NPD3027	Phase 3
0.7716	Intermediate Similarity	NPD1934	Approved
0.7703	Intermediate Similarity	NPD1530	Clinical (unspecified phase)
0.7702	Intermediate Similarity	NPD4380	Phase 2
0.7679	Intermediate Similarity	NPD6167	Clinical (unspecified phase)
0.7679	Intermediate Similarity	NPD6166	Phase 2
0.7679	Intermediate Similarity	NPD6168	Clinical (unspecified phase)
0.7669	Intermediate Similarity	NPD7096	Clinical (unspecified phase)
0.7669	Intermediate Similarity	NPD7819	Suspended
0.7669	Intermediate Similarity	NPD2393	Clinical (unspecified phase)
0.7661	Intermediate Similarity	NPD7993	Clinical (unspecified phase)
0.7647	Intermediate Similarity	NPD7804	Clinical (unspecified phase)
0.7636	Intermediate Similarity	NPD4381	Clinical (unspecified phase)
0.7635	Intermediate Similarity	NPD6917	Clinical (unspecified phase)
0.7619	Intermediate Similarity	NPD8651	Approved
0.7613	Intermediate Similarity	NPD5762	Approved
0.7613	Intermediate Similarity	NPD5763	Approved
0.761	Intermediate Similarity	NPD4378	Clinical (unspecified phase)
0.7584	Intermediate Similarity	NPD2861	Phase 2
0.758	Intermediate Similarity	NPD3750	Approved
0.7572	Intermediate Similarity	NPD7808	Phase 3
0.7534	Intermediate Similarity	NPD422	Phase 1
0.7516	Intermediate Similarity	NPD5698	Clinical (unspecified phase)
0.7515	Intermediate Similarity	NPD8443	Clinical (unspecified phase)
0.7515	Intermediate Similarity	NPD5402	Approved
0.7514	Intermediate Similarity	NPD7251	Discontinued
0.75	Intermediate Similarity	NPD1548	Phase 1
0.75	Intermediate Similarity	NPD6801	Discontinued
0.7485	Intermediate Similarity	NPD6599	Discontinued
0.7485	Intermediate Similarity	NPD3751	Discontinued
0.7483	Intermediate Similarity	NPD7095	Approved
0.747	Intermediate Similarity	NPD4868	Clinical (unspecified phase)
0.747	Intermediate Similarity	NPD3882	Suspended
0.7457	Intermediate Similarity	NPD6797	Phase 2
0.7455	Intermediate Similarity	NPD2801	Approved
0.7453	Intermediate Similarity	NPD1512	Approved
0.7452	Intermediate Similarity	NPD1549	Phase 2
0.7452	Intermediate Similarity	NPD2424	Discontinued
0.7443	Intermediate Similarity	NPD8055	Clinical (unspecified phase)
0.7442	Intermediate Similarity	NPD5844	Phase 1
0.7442	Intermediate Similarity	NPD7054	Approved
0.7413	Intermediate Similarity	NPD7157	Approved
0.741	Intermediate Similarity	NPD3817	Phase 2
0.7407	Intermediate Similarity	NPD5403	Approved
0.7403	Intermediate Similarity	NPD5735	Approved
0.7399	Intermediate Similarity	NPD7472	Approved
0.7399	Intermediate Similarity	NPD7074	Phase 3
0.7389	Intermediate Similarity	NPD1552	Clinical (unspecified phase)
0.7389	Intermediate Similarity	NPD1550	Clinical (unspecified phase)
0.7384	Intermediate Similarity	NPD3818	Discontinued
0.7358	Intermediate Similarity	NPD4628	Phase 3
0.7353	Intermediate Similarity	NPD3787	Discontinued
0.7342	Intermediate Similarity	NPD970	Clinical (unspecified phase)
0.7329	Intermediate Similarity	NPD1511	Approved
0.7329	Intermediate Similarity	NPD6799	Approved
0.7325	Intermediate Similarity	NPD2796	Approved
0.7314	Intermediate Similarity	NPD6559	Discontinued
0.7297	Intermediate Similarity	NPD1091	Approved
0.7296	Intermediate Similarity	NPD6674	Discontinued
0.7294	Intermediate Similarity	NPD6959	Discontinued
0.7292	Intermediate Similarity	NPD6671	Approved
0.729	Intermediate Similarity	NPD6355	Discontinued
0.7284	Intermediate Similarity	NPD5401	Approved
0.7273	Intermediate Similarity	NPD4338	Clinical (unspecified phase)
0.7267	Intermediate Similarity	NPD6696	Suspended
0.7263	Intermediate Similarity	NPD6841	Approved
0.7263	Intermediate Similarity	NPD6842	Approved
0.7263	Intermediate Similarity	NPD6843	Phase 3
0.7261	Intermediate Similarity	NPD3748	Approved
0.7261	Intermediate Similarity	NPD1510	Phase 2
0.725	Intermediate Similarity	NPD7982	Clinical (unspecified phase)
0.7239	Intermediate Similarity	NPD7314	Clinical (unspecified phase)
0.7238	Intermediate Similarity	NPD7879	Clinical (unspecified phase)
0.7235	Intermediate Similarity	NPD5494	Approved
0.723	Intermediate Similarity	NPD3496	Discontinued
0.7229	Intermediate Similarity	NPD5089	Approved
0.7229	Intermediate Similarity	NPD5090	Approved
0.7226	Intermediate Similarity	NPD4140	Approved
0.7209	Intermediate Similarity	NPD7184	Clinical (unspecified phase)
0.7208	Intermediate Similarity	NPD6859	Clinical (unspecified phase)
0.7207	Intermediate Similarity	NPD8434	Phase 2
0.7203	Intermediate Similarity	NPD7843	Approved
0.7193	Intermediate Similarity	NPD8127	Discontinued
0.7193	Intermediate Similarity	NPD7199	Phase 2
0.7186	Intermediate Similarity	NPD37	Approved
0.7184	Intermediate Similarity	NPD7228	Approved
0.7178	Intermediate Similarity	NPD7410	Clinical (unspecified phase)
0.7178	Intermediate Similarity	NPD7004	Clinical (unspecified phase)
0.7176	Intermediate Similarity	NPD6234	Discontinued
0.7175	Intermediate Similarity	NPD7549	Discontinued
0.717	Intermediate Similarity	NPD7266	Discontinued
0.716	Intermediate Similarity	NPD7768	Phase 2
0.716	Intermediate Similarity	NPD4966	Approved
0.716	Intermediate Similarity	NPD4965	Approved
0.716	Intermediate Similarity	NPD4967	Phase 2
0.7143	Intermediate Similarity	NPD1465	Phase 2
0.7135	Intermediate Similarity	NPD8312	Approved
0.7135	Intermediate Similarity	NPD8313	Approved
0.7126	Intermediate Similarity	NPD7473	Discontinued
0.7115	Intermediate Similarity	NPD3620	Phase 2
0.7115	Intermediate Similarity	NPD3619	Clinical (unspecified phase)
0.7097	Intermediate Similarity	NPD6798	Discontinued
0.7086	Intermediate Similarity	NPD5327	Phase 3
0.7073	Intermediate Similarity	NPD7447	Phase 1
0.707	Intermediate Similarity	NPD4340	Discontinued
0.7047	Intermediate Similarity	NPD4626	Approved
0.7042	Intermediate Similarity	NPD2684	Approved
0.7037	Intermediate Similarity	NPD1878	Clinical (unspecified phase)
0.7037	Intermediate Similarity	NPD3892	Phase 2
0.7025	Intermediate Similarity	NPD6353	Approved
0.7025	Intermediate Similarity	NPD6653	Approved
0.7024	Intermediate Similarity	NPD7615	Clinical (unspecified phase)
0.7024	Intermediate Similarity	NPD7411	Suspended
0.7018	Intermediate Similarity	NPD3749	Approved
0.7012	Intermediate Similarity	NPD7213	Phase 3
0.7012	Intermediate Similarity	NPD7212	Phase 2
0.7006	Intermediate Similarity	NPD5808	Clinical (unspecified phase)
0.7006	Intermediate Similarity	NPD1240	Approved
0.7006	Intermediate Similarity	NPD2238	Phase 2
0.7	Intermediate Similarity	NPD2415	Discontinued
0.6994	Remote Similarity	NPD6190	Approved
0.6994	Remote Similarity	NPD2677	Approved
0.6993	Remote Similarity	NPD3094	Phase 2
0.6993	Remote Similarity	NPD2797	Approved
0.6987	Remote Similarity	NPD7985	Registered
0.6987	Remote Similarity	NPD3268	Approved
0.6981	Remote Similarity	NPD4538	Approved
0.6981	Remote Similarity	NPD7097	Phase 1
0.6981	Remote Similarity	NPD4537	Clinical (unspecified phase)
0.6981	Remote Similarity	NPD4536	Approved
0.698	Remote Similarity	NPD5691	Approved
0.6975	Remote Similarity	NPD2800	Approved
0.6974	Remote Similarity	NPD3600	Clinical (unspecified phase)
0.6974	Remote Similarity	NPD4379	Clinical (unspecified phase)
0.6972	Remote Similarity	NPD290	Approved
0.6971	Remote Similarity	NPD7852	Clinical (unspecified phase)
0.697	Remote Similarity	NPD2533	Approved
0.697	Remote Similarity	NPD2532	Approved
0.697	Remote Similarity	NPD7446	Clinical (unspecified phase)
0.697	Remote Similarity	NPD2534	Approved
0.6954	Remote Similarity	NPD7229	Phase 3
0.6954	Remote Similarity	NPD6232	Discontinued
0.6954	Remote Similarity	NPD6071	Discontinued
0.6943	Remote Similarity	NPD6233	Phase 2
0.6941	Remote Similarity	NPD4585	Approved
0.6941	Remote Similarity	NPD8455	Phase 2
0.6937	Remote Similarity	NPD651	Clinical (unspecified phase)
0.6937	Remote Similarity	NPD7033	Discontinued
0.6936	Remote Similarity	NPD4666	Phase 3
0.6933	Remote Similarity	NPD8166	Discontinued
0.6928	Remote Similarity	NPD6273	Approved
0.6923	Remote Similarity	NPD8150	Discontinued
0.6918	Remote Similarity	NPD1607	Approved
0.6901	Remote Similarity	NPD2560	Approved
0.6901	Remote Similarity	NPD2563	Approved
0.6892	Remote Similarity	NPD7340	Approved
0.6885	Remote Similarity	NPD7906	Approved
0.6879	Remote Similarity	NPD5709	Phase 3
0.6879	Remote Similarity	NPD1296	Phase 2
0.6871	Remote Similarity	NPD7421	Clinical (unspecified phase)
0.6851	Remote Similarity	NPD7310	Approved
0.6851	Remote Similarity	NPD7313	Approved
0.6851	Remote Similarity	NPD7311	Approved
0.6851	Remote Similarity	NPD7312	Approved
0.6848	Remote Similarity	NPD5058	Phase 3
0.6842	Remote Similarity	NPD3092	Approved
0.6835	Remote Similarity	NPD8032	Phase 2
0.6833	Remote Similarity	NPD7685	Pre-registration
0.6833	Remote Similarity	NPD7240	Approved
0.6832	Remote Similarity	NPD5588	Approved
0.6832	Remote Similarity	NPD5960	Phase 3
0.6831	Remote Similarity	NPD4663	Approved
0.6829	Remote Similarity	NPD7466	Approved
0.6824	Remote Similarity	NPD6072	Discontinued
0.6821	Remote Similarity	NPD7975	Clinical (unspecified phase)
0.6821	Remote Similarity	NPD1778	Approved
0.6818	Remote Similarity	NPD2970	Approved
0.6818	Remote Similarity	NPD2969	Approved
0.6813	Remote Similarity	NPD7309	Approved
0.6813	Remote Similarity	NPD4097	Suspended
0.6813	Remote Similarity	NPD6651	Approved
0.6809	Remote Similarity	NPD8090	Clinical (unspecified phase)

Structure

NPC241636 OpenBabel07101718192D 38 42 0 0 1 0 0 0 0 0999 V2000 5.2274 -0.5963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2750 -0.9518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0247 -4.4446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5654 -3.6034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9393 -2.3725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0942 -1.9774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1791 -4.3530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1893 -4.2106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0887 -3.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0934 -2.0963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1542 0.7373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4954 -1.5963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5115 -1.3097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0887 -1.2550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2274 -3.5963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9858 1.3262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8482 -2.5963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2274 -1.5963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6839 -0.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6293 -2.0963 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.5665 -1.6368 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0934 -3.0963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3614 -2.0963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7008 -0.3278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7574 1.6552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7924 1.9173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3614 -3.0963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9450 0.3271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1791 -0.8396 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5665 -3.5558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6293 -3.0963 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1893 -0.9819 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9595 -3.5963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4123 2.4110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6098 2.9005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3214 0.1502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4954 -3.5963 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 18 1 0 0 0 0 2 19 1 0 0 0 0 3 30 1 0 0 0 0 4 30 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 8 30 1 0 0 0 0 9 31 1 0 0 0 0 10 18 2 0 0 0 0 10 22 1 0 0 0 0 11 19 2 0 0 0 0 11 25 1 0 0 0 0 12 20 1 0 0 0 0 12 23 1 0 0 0 0 13 21 1 0 0 0 0 13 24 1 0 0 0 0 14 20 1 0 0 0 0 14 29 1 0 0 0 0 15 22 2 0 0 0 0 15 27 1 0 0 0 0 16 26 2 0 0 0 0 16 28 1 0 0 0 0 17 21 1 0 0 0 0 17 30 1 0 0 0 0 18 23 1 0 0 0 0 19 24 1 0 0 0 0 20 31 1 1 0 0 0 21 32 1 6 0 0 0 22 33 1 0 0 0 0 23 27 2 0 0 0 0 24 28 2 0 0 0 0 25 26 1 0 0 0 0 25 34 2 0 0 0 0 26 35 1 0 0 0 0 27 37 1 0 0 0 0 28 38 1 0 0 0 0 29 32 1 1 0 0 0 29 36 1 0 0 0 0 31 5 1 1 0 0 0 31 37 1 0 0 0 0 32 6 1 6 0 0 0 32 38 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	21635760
ChEMBL	CHEMBL403073
ZINC

Physicochemical Properties

Molecular Weight:	520.28
ALogP:	1.9972
MLogP:	4.32
XLogP:	6.01
# Rotatable Bonds:	9
Polar Surface Area:	96.22
# H-Bond Aceptor:	4
# H-Bond Donor:	3
# Rings:	5
# Heavy Atoms:	38

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