NPASS Natural Product

Natural Product: NPC475424

Natural Product ID:	NPC475424
Common Name:	Nodulisporic Acid D2 Methyl Ester
IUPAC Name:
Synonyms:	Nodulisporic Acid D2 Methyl Ester
Molecular Formula:	C39H53NO6
Standard InCHIKey:	LGRXZPOYTCHPCH-DSOITLKOSA-N
Standard InCHI:	InChI=1S/C39H53NO6/c1-20(33(42)44-9)31(41)29-19-37(7)30-11-10-22-16-25-24-17-23-21(14-27-26(23)18-34(2,3)46-35(27,4)5)15-28(24)40-32(25)38(22,8)36(30,6)12-13-39(37,43)45-29/h15,17-18,20,22,27,29-31,40-41,43H,10-14,16,19H2,1-9H3/t20-,22-,27-,29-,30+,31+,36-,37-,38+,39-/m0/s1
Canonical SMILES:	COC(=O)[C@H]([C@H]([C@@H]1C[C@@]2([C@](O1)(O)CC[C@]1([C@H]2CC[C@@H]2[C@]1(C)c1[nH]c3c(c1C2)cc1c(c3)C[C@H]2C1=CC(OC2(C)C)(C)C)C)C)O)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
NPO32628	nodulisporium	Genus	Xylariaceae	Eukaryota				PMID[15387649]

Biological Activity

Activity Type	# Activity
IC50	1

Activity Type	# Activity
Others	1

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT2	Others	Unspecified		IC50	>	10000	nM	18494522

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 NPC475424 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	263
0.1-0.2	1182
0.2-0.3	2646
0.3-0.4	9111
0.4-0.5	14165
0.5-0.6	2567
0.6-0.7	850
0.7-0.8	73
0.8-0.85	13
0.85-0.9	14
0.9-0.95	4
0.95-1	1

Similarity Score	Similarity Level	Natural Product ID
1.0	High Similarity	NPC79107
0.9469	High Similarity	NPC471634
0.9469	High Similarity	NPC473806
0.9163	High Similarity	NPC473547
0.9118	High Similarity	NPC97388
0.8967	High Similarity	NPC282033
0.8922	High Similarity	NPC475165
0.8878	High Similarity	NPC250129
0.881	High Similarity	NPC61813
0.8762	High Similarity	NPC242446
0.8762	High Similarity	NPC475476
0.8689	High Similarity	NPC284102
0.8688	High Similarity	NPC470843
0.8688	High Similarity	NPC94541
0.8636	High Similarity	NPC473565
0.8634	High Similarity	NPC187456
0.8634	High Similarity	NPC18661
0.8578	High Similarity	NPC96131
0.8571	High Similarity	NPC475151
0.8483	Intermediate Similarity	NPC471284
0.8483	Intermediate Similarity	NPC473650
0.8483	Intermediate Similarity	NPC160527
0.8389	Intermediate Similarity	NPC235900
0.8382	Intermediate Similarity	NPC473747
0.8325	Intermediate Similarity	NPC181502
0.8325	Intermediate Similarity	NPC85066
0.8309	Intermediate Similarity	NPC123019
0.8259	Intermediate Similarity	NPC34271
0.819	Intermediate Similarity	NPC473441
0.819	Intermediate Similarity	NPC131273
0.8119	Intermediate Similarity	NPC119700
0.8107	Intermediate Similarity	NPC231342
0.7982	Intermediate Similarity	NPC183426
0.7973	Intermediate Similarity	NPC245756
0.797	Intermediate Similarity	NPC165201
0.7951	Intermediate Similarity	NPC206967
0.7888	Intermediate Similarity	NPC311451
0.7883	Intermediate Similarity	NPC469312
0.7883	Intermediate Similarity	NPC41318
0.7861	Intermediate Similarity	NPC6093
0.7826	Intermediate Similarity	NPC278540
0.7822	Intermediate Similarity	NPC198339
0.7805	Intermediate Similarity	NPC99428
0.7792	Intermediate Similarity	NPC471583
0.7792	Intermediate Similarity	NPC471782
0.7783	Intermediate Similarity	NPC302191
0.7752	Intermediate Similarity	NPC204303
0.7713	Intermediate Similarity	NPC470874
0.7662	Intermediate Similarity	NPC97525
0.765	Intermediate Similarity	NPC474905
0.7588	Intermediate Similarity	NPC470873
0.757	Intermediate Similarity	NPC32200
0.7545	Intermediate Similarity	NPC234999
0.7511	Intermediate Similarity	NPC249342
0.75	Intermediate Similarity	NPC235885
0.7477	Intermediate Similarity	NPC475778
0.7476	Intermediate Similarity	NPC46413
0.7467	Intermediate Similarity	NPC472762
0.7431	Intermediate Similarity	NPC476115
0.743	Intermediate Similarity	NPC205403
0.7378	Intermediate Similarity	NPC204491
0.7348	Intermediate Similarity	NPC141428
0.7313	Intermediate Similarity	NPC82070
0.7297	Intermediate Similarity	NPC470280
0.7294	Intermediate Similarity	NPC49196
0.7294	Intermediate Similarity	NPC79129
0.7294	Intermediate Similarity	NPC313985
0.7294	Intermediate Similarity	NPC195461
0.7294	Intermediate Similarity	NPC81654
0.7294	Intermediate Similarity	NPC249150
0.7293	Intermediate Similarity	NPC2395
0.7284	Intermediate Similarity	NPC57690
0.7273	Intermediate Similarity	NPC477135
0.7268	Intermediate Similarity	NPC126492
0.7255	Intermediate Similarity	NPC154293
0.7229	Intermediate Similarity	NPC475271
0.7225	Intermediate Similarity	NPC203614
0.7215	Intermediate Similarity	NPC214428
0.7205	Intermediate Similarity	NPC52254
0.7202	Intermediate Similarity	NPC50503
0.7191	Intermediate Similarity	NPC290529
0.7177	Intermediate Similarity	NPC270009
0.7168	Intermediate Similarity	NPC151976
0.7167	Intermediate Similarity	NPC267926
0.7155	Intermediate Similarity	NPC147446
0.7155	Intermediate Similarity	NPC188239
0.7155	Intermediate Similarity	NPC266192
0.7149	Intermediate Similarity	NPC476114
0.7143	Intermediate Similarity	NPC127677
0.713	Intermediate Similarity	NPC277350
0.7118	Intermediate Similarity	NPC249428
0.7111	Intermediate Similarity	NPC469743
0.7111	Intermediate Similarity	NPC477548
0.7098	Intermediate Similarity	NPC46225
0.7095	Intermediate Similarity	NPC475844
0.709	Intermediate Similarity	NPC107836
0.7054	Intermediate Similarity	NPC237901
0.7054	Intermediate Similarity	NPC195788
0.7051	Intermediate Similarity	NPC55493
0.7028	Intermediate Similarity	NPC472589
0.7018	Intermediate Similarity	NPC87856
0.7016	Intermediate Similarity	NPC472588
0.7014	Intermediate Similarity	NPC241024
0.7009	Intermediate Similarity	NPC476319
0.7	Intermediate Similarity	NPC132211
0.6996	Remote Similarity	NPC137589
0.6996	Remote Similarity	NPC474116
0.6996	Remote Similarity	NPC162730
0.6995	Remote Similarity	NPC472444
0.6991	Remote Similarity	NPC258062
0.6991	Remote Similarity	NPC61637
0.6988	Remote Similarity	NPC478080
0.6987	Remote Similarity	NPC267965
0.6987	Remote Similarity	NPC229348
0.6986	Remote Similarity	NPC34508
0.6981	Remote Similarity	NPC300688
0.698	Remote Similarity	NPC199259
0.697	Remote Similarity	NPC162812
0.6964	Remote Similarity	NPC98715
0.6957	Remote Similarity	NPC313640
0.6955	Remote Similarity	NPC37473
0.6951	Remote Similarity	NPC473389
0.6949	Remote Similarity	NPC112547
0.6947	Remote Similarity	NPC225821
0.6947	Remote Similarity	NPC260909
0.6934	Remote Similarity	NPC213468
0.6929	Remote Similarity	NPC57453
0.692	Remote Similarity	NPC475223
0.6916	Remote Similarity	NPC19679
0.6914	Remote Similarity	NPC472207
0.6904	Remote Similarity	NPC474701
0.6895	Remote Similarity	NPC476516
0.6892	Remote Similarity	NPC52557
0.6891	Remote Similarity	NPC471977
0.6891	Remote Similarity	NPC471190
0.6891	Remote Similarity	NPC475644
0.6891	Remote Similarity	NPC470486
0.6889	Remote Similarity	NPC246983
0.6889	Remote Similarity	NPC475448
0.6888	Remote Similarity	NPC263937
0.6888	Remote Similarity	NPC94428
0.6864	Remote Similarity	NPC51388
0.6857	Remote Similarity	NPC6982
0.6854	Remote Similarity	NPC472443
0.6853	Remote Similarity	NPC30570
0.6851	Remote Similarity	NPC280799
0.6849	Remote Similarity	NPC228377
0.6849	Remote Similarity	NPC87152
0.6849	Remote Similarity	NPC328186
0.6849	Remote Similarity	NPC475600
0.6849	Remote Similarity	NPC475631
0.6849	Remote Similarity	NPC211920
0.6849	Remote Similarity	NPC476110
0.6849	Remote Similarity	NPC477787
0.6849	Remote Similarity	NPC122968
0.6846	Remote Similarity	NPC70155
0.6845	Remote Similarity	NPC473320
0.6844	Remote Similarity	NPC476874
0.6835	Remote Similarity	NPC477902
0.6835	Remote Similarity	NPC175474
0.682	Remote Similarity	NPC274640
0.682	Remote Similarity	NPC160381
0.6816	Remote Similarity	NPC477044
0.6816	Remote Similarity	NPC102008
0.6816	Remote Similarity	NPC477041
0.6812	Remote Similarity	NPC271862
0.6811	Remote Similarity	NPC89549
0.6811	Remote Similarity	NPC472846
0.681	Remote Similarity	NPC280548
0.6808	Remote Similarity	NPC151939
0.6807	Remote Similarity	NPC473506
0.6805	Remote Similarity	NPC30456
0.68	Remote Similarity	NPC300183
0.6798	Remote Similarity	NPC477065
0.6797	Remote Similarity	NPC292517
0.6795	Remote Similarity	NPC174788
0.6792	Remote Similarity	NPC472586
0.6791	Remote Similarity	NPC192270
0.6786	Remote Similarity	NPC477045
0.6784	Remote Similarity	NPC477043
0.6783	Remote Similarity	NPC475422
0.678	Remote Similarity	NPC184476
0.6779	Remote Similarity	NPC472587
0.6778	Remote Similarity	NPC124029
0.6777	Remote Similarity	NPC237702
0.6776	Remote Similarity	NPC253482
0.6774	Remote Similarity	NPC473189
0.677	Remote Similarity	NPC193761
0.6766	Remote Similarity	NPC301368
0.6766	Remote Similarity	NPC84815
0.6765	Remote Similarity	NPC475498
0.6765	Remote Similarity	NPC473850
0.6765	Remote Similarity	NPC475137
0.6763	Remote Similarity	NPC292416
0.6763	Remote Similarity	NPC475596
0.6763	Remote Similarity	NPC474688
0.6763	Remote Similarity	NPC473689
0.6763	Remote Similarity	NPC477531
0.6763	Remote Similarity	NPC96801
0.6763	Remote Similarity	NPC316841

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC475424 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	209
0.1-0.2	558
0.2-0.3	788
0.3-0.4	2028
0.4-0.5	3715
0.5-0.6	1519
0.6-0.7	323
0.7-0.8	21
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
0.7315	Intermediate Similarity	NPD5003	Discontinued
0.7294	Intermediate Similarity	NPD4600	Approved
0.7294	Intermediate Similarity	NPD4601	Approved
0.7243	Intermediate Similarity	NPD6630	Clinical (unspecified phase)
0.7195	Intermediate Similarity	NPD2920	Discontinued
0.7116	Intermediate Similarity	NPD2565	Phase 2
0.7116	Intermediate Similarity	NPD2564	Approved
0.7112	Intermediate Similarity	NPD6995	Phase 1
0.7067	Intermediate Similarity	NPD8423	Phase 2
0.7067	Intermediate Similarity	NPD8399	Phase 1
0.7054	Intermediate Similarity	NPD8428	Approved
0.7054	Intermediate Similarity	NPD8465	Approved
0.7054	Intermediate Similarity	NPD8466	Approved
0.7054	Intermediate Similarity	NPD8429	Approved
0.7054	Intermediate Similarity	NPD8427	Approved
0.7054	Intermediate Similarity	NPD8467	Approved
0.7054	Intermediate Similarity	NPD7958	Clinical (unspecified phase)
0.7054	Intermediate Similarity	NPD7957	Phase 1
0.7046	Intermediate Similarity	NPD7688	Phase 1
0.702	Intermediate Similarity	NPD8364	Approved
0.702	Intermediate Similarity	NPD8363	Approved
0.6965	Remote Similarity	NPD8365	Clinical (unspecified phase)
0.6957	Remote Similarity	NPD7707	Approved
0.6947	Remote Similarity	NPD8460	Approved
0.6947	Remote Similarity	NPD8426	Approved
0.6947	Remote Similarity	NPD8459	Approved
0.6947	Remote Similarity	NPD8425	Approved
0.692	Remote Similarity	NPD5721	Clinical (unspecified phase)
0.6886	Remote Similarity	NPD5834	Phase 3
0.6886	Remote Similarity	NPD5835	Phase 3
0.6883	Remote Similarity	NPD8112	Clinical (unspecified phase)
0.6857	Remote Similarity	NPD6739	Clinical (unspecified phase)
0.6842	Remote Similarity	NPD7947	Clinical (unspecified phase)
0.6835	Remote Similarity	NPD7233	Approved
0.6835	Remote Similarity	NPD7234	Approved
0.6824	Remote Similarity	NPD8327	Clinical (unspecified phase)
0.6824	Remote Similarity	NPD8325	Phase 3
0.6824	Remote Similarity	NPD8326	Phase 3
0.6816	Remote Similarity	NPD7777	Approved
0.6816	Remote Similarity	NPD53	Approved
0.6816	Remote Similarity	NPD7778	Approved
0.6784	Remote Similarity	NPD56	Approved
0.6784	Remote Similarity	NPD8282	Approved
0.6784	Remote Similarity	NPD8283	Approved
0.6745	Remote Similarity	NPD43	Approved
0.6745	Remote Similarity	NPD6183	Clinical (unspecified phase)
0.6745	Remote Similarity	NPD6182	Approved
0.6744	Remote Similarity	NPD5899	Approved
0.6744	Remote Similarity	NPD5897	Approved
0.6744	Remote Similarity	NPD5898	Approved
0.6741	Remote Similarity	NPD7946	Pre-registration
0.6725	Remote Similarity	NPD5429	Discontinued
0.6711	Remote Similarity	NPD6661	Clinical (unspecified phase)
0.6711	Remote Similarity	NPD6249	Phase 2
0.6711	Remote Similarity	NPD6248	Phase 2
0.6706	Remote Similarity	NPD7956	Approved
0.6706	Remote Similarity	NPD7955	Approved
0.6693	Remote Similarity	NPD7769	Phase 3
0.6681	Remote Similarity	NPD4501	Approved
0.6681	Remote Similarity	NPD4500	Approved
0.6681	Remote Similarity	NPD7470	Discontinued
0.6681	Remote Similarity	NPD5164	Discontinued
0.668	Remote Similarity	NPD7708	Approved
0.6667	Remote Similarity	NPD8489	Phase 1
0.6653	Remote Similarity	NPD7878	Phase 2
0.6653	Remote Similarity	NPD7770	Phase 3
0.6653	Remote Similarity	NPD7824	Approved
0.6652	Remote Similarity	NPD4499	Approved
0.6639	Remote Similarity	NPD7789	Approved
0.6639	Remote Similarity	NPD7790	Approved
0.6639	Remote Similarity	NPD7953	Approved
0.6639	Remote Similarity	NPD7950	Approved
0.6639	Remote Similarity	NPD7951	Approved
0.6639	Remote Similarity	NPD7952	Approved
0.6639	Remote Similarity	NPD7791	Approved
0.6638	Remote Similarity	NPD8160	Phase 2
0.6626	Remote Similarity	NPD8372	Clinical (unspecified phase)
0.6624	Remote Similarity	NPD7571	Clinical (unspecified phase)
0.6624	Remote Similarity	NPD6455	Phase 3
0.6612	Remote Similarity	NPD7780	Approved
0.6612	Remote Similarity	NPD7781	Approved
0.6609	Remote Similarity	NPD4862	Clinical (unspecified phase)
0.6608	Remote Similarity	NPD6479	Discontinued
0.6604	Remote Similarity	NPD2844	Phase 3
0.6601	Remote Similarity	NPD6503	Clinical (unspecified phase)
0.6597	Remote Similarity	NPD6717	Clinical (unspecified phase)
0.6595	Remote Similarity	NPD7941	Phase 3
0.6594	Remote Similarity	NPD6176	Phase 1
0.6588	Remote Similarity	NPD5744	Clinical (unspecified phase)
0.6577	Remote Similarity	NPD7803	Approved
0.6574	Remote Similarity	NPD8468	Phase 2
0.657	Remote Similarity	NPD6978	Phase 2
0.657	Remote Similarity	NPD6977	Clinical (unspecified phase)
0.657	Remote Similarity	NPD7731	Approved
0.657	Remote Similarity	NPD7730	Approved
0.6569	Remote Similarity	NPD5506	Approved
0.6569	Remote Similarity	NPD5507	Approved
0.6564	Remote Similarity	NPD3800	Clinical (unspecified phase)
0.6548	Remote Similarity	NPD8358	Approved
0.6547	Remote Similarity	NPD3785	Clinical (unspecified phase)
0.6542	Remote Similarity	NPD6160	Clinical (unspecified phase)
0.6538	Remote Similarity	NPD6456	Discontinued
0.6532	Remote Similarity	NPD1534	Approved
0.6532	Remote Similarity	NPD4334	Discontinued
0.653	Remote Similarity	NPD5728	Clinical (unspecified phase)
0.6522	Remote Similarity	NPD5487	Phase 1
0.6522	Remote Similarity	NPD8072	Approved
0.6515	Remote Similarity	NPD7717	Approved
0.6515	Remote Similarity	NPD7716	Approved
0.6502	Remote Similarity	NPD6281	Approved
0.6498	Remote Similarity	NPD6641	Approved
0.6498	Remote Similarity	NPD6642	Approved
0.6498	Remote Similarity	NPD7496	Phase 2
0.6496	Remote Similarity	NPD7998	Clinical (unspecified phase)
0.6494	Remote Similarity	NPD5901	Discontinued
0.6488	Remote Similarity	NPD6976	Clinical (unspecified phase)
0.6488	Remote Similarity	NPD7271	Approved
0.6486	Remote Similarity	NPD8431	Approved
0.6483	Remote Similarity	NPD3795	Approved
0.6483	Remote Similarity	NPD3794	Approved
0.6483	Remote Similarity	NPD8094	Discontinued
0.6478	Remote Similarity	NPD8073	Approved
0.6476	Remote Similarity	NPD6206	Phase 1
0.6473	Remote Similarity	NPD5913	Phase 3
0.6473	Remote Similarity	NPD5912	Clinical (unspecified phase)
0.6468	Remote Similarity	NPD4076	Approved
0.6468	Remote Similarity	NPD4079	Approved
0.6466	Remote Similarity	NPD7010	Phase 3
0.6466	Remote Similarity	NPD4901	Clinical (unspecified phase)
0.6454	Remote Similarity	NPD6517	Phase 3
0.6453	Remote Similarity	NPD4506	Discontinued
0.6449	Remote Similarity	NPD5021	Discontinued
0.6447	Remote Similarity	NPD6261	Phase 3
0.6444	Remote Similarity	NPD4315	Phase 2
0.6441	Remote Similarity	NPD7454	Approved
0.6441	Remote Similarity	NPD7455	Approved
0.6441	Remote Similarity	NPD8093	Discontinued
0.6441	Remote Similarity	NPD7069	Discontinued
0.6432	Remote Similarity	NPD5512	Phase 3
0.6431	Remote Similarity	NPD7181	Phase 3
0.6429	Remote Similarity	NPD7218	Clinical (unspecified phase)
0.6422	Remote Similarity	NPD3506	Approved
0.6422	Remote Similarity	NPD6138	Clinical (unspecified phase)
0.6422	Remote Similarity	NPD3505	Approved
0.6419	Remote Similarity	NPD1325	Approved
0.6419	Remote Similarity	NPD1326	Approved
0.641	Remote Similarity	NPD2509	Approved
0.641	Remote Similarity	NPD2510	Approved
0.6409	Remote Similarity	NPD7772	Phase 3
0.6403	Remote Similarity	NPD7921	Approved
0.6398	Remote Similarity	NPD5936	Approved
0.6398	Remote Similarity	NPD5939	Approved
0.6387	Remote Similarity	NPD4897	Phase 2
0.638	Remote Similarity	NPD2092	Phase 2
0.638	Remote Similarity	NPD2095	Phase 2
0.638	Remote Similarity	NPD2094	Phase 2
0.6375	Remote Similarity	NPD7395	Discontinued
0.6368	Remote Similarity	NPD5444	Phase 1
0.6364	Remote Similarity	NPD6773	Clinical (unspecified phase)
0.6364	Remote Similarity	NPD4511	Phase 1
0.6364	Remote Similarity	NPD8464	Clinical (unspecified phase)
0.6352	Remote Similarity	NPD3925	Approved
0.6351	Remote Similarity	NPD2096	Phase 2
0.6351	Remote Similarity	NPD2091	Phase 2
0.6347	Remote Similarity	NPD7865	Approved
0.6347	Remote Similarity	NPD2144	Approved
0.6335	Remote Similarity	NPD3038	Discontinued
0.6329	Remote Similarity	NPD7927	Clinical (unspecified phase)
0.6329	Remote Similarity	NPD7070	Clinical (unspecified phase)
0.632	Remote Similarity	NPD8248	Clinical (unspecified phase)
0.6318	Remote Similarity	NPD5398	Clinical (unspecified phase)
0.6316	Remote Similarity	NPD8374	Phase 3
0.6314	Remote Similarity	NPD2125	Clinical (unspecified phase)
0.631	Remote Similarity	NPD8016	Phase 3
0.631	Remote Similarity	NPD8017	Clinical (unspecified phase)
0.6306	Remote Similarity	NPD8658	Clinical (unspecified phase)
0.6301	Remote Similarity	NPD749	Clinical (unspecified phase)
0.6301	Remote Similarity	NPD5501	Discontinued
0.6298	Remote Similarity	NPD6838	Clinical (unspecified phase)
0.6298	Remote Similarity	NPD8322	Phase 2
0.6292	Remote Similarity	NPD3394	Approved
0.6292	Remote Similarity	NPD3393	Approved
0.6292	Remote Similarity	NPD3389	Approved
0.6287	Remote Similarity	NPD7825	Clinical (unspecified phase)
0.6287	Remote Similarity	NPD4900	Clinical (unspecified phase)
0.6282	Remote Similarity	NPD5426	Phase 3
0.6282	Remote Similarity	NPD8098	Approved
0.6281	Remote Similarity	NPD6770	Approved
0.628	Remote Similarity	NPD8329	Phase 3
0.6276	Remote Similarity	NPD7277	Approved
0.6276	Remote Similarity	NPD7276	Approved
0.6267	Remote Similarity	NPD7474	Suspended
0.6265	Remote Similarity	NPD4885	Approved
0.6261	Remote Similarity	NPD8013	Clinical (unspecified phase)
0.6256	Remote Similarity	NPD482	Approved
0.6255	Remote Similarity	NPD6732	Clinical (unspecified phase)
0.625	Remote Similarity	NPD7589	Clinical (unspecified phase)
0.625	Remote Similarity	NPD4554	Clinical (unspecified phase)
0.625	Remote Similarity	NPD7073	Clinical (unspecified phase)
0.6245	Remote Similarity	NPD7548	Discontinued

Structure

NPC475424 OpenBabel07101719512D 46 53 0 0 1 0 0 0 0 0999 V2000 -1.5584 2.4940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7300 3.8424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8333 4.2416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2162 0.5987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0103 1.1756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3334 0.3033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3326 2.1814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0842 0.8789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5028 0.7940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6334 3.2477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7834 2.7570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6334 0.3033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7834 -0.1874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5606 0.6782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7772 0.4907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4169 3.0603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7772 2.4537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9598 3.1629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.5881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0491 1.6440 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6272 0.9815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4834 2.7570 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6272 1.9630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9272 1.9630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9938 2.2663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5606 2.2663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1375 1.4722 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9272 0.9815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5769 0.7940 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7834 1.7755 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.5584 0.7940 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4169 1.4722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0306 1.6440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9359 3.2655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1136 1.5748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6334 1.2848 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.9334 1.2848 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4834 1.7755 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.9334 0.3033 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9938 0.6782 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0491 -0.0560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5213 2.4940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3326 -0.5933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5213 0.7940 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 10.5128 2.4714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 34 1 0 0 0 0 3 34 1 0 0 0 0 4 35 1 0 0 0 0 5 35 1 0 0 0 0 6 36 1 0 0 0 0 7 37 1 0 0 0 0 9 44 1 0 0 0 0 10 11 1 0 0 0 0 10 22 1 0 0 0 0 11 30 1 0 0 0 0 12 13 1 0 0 0 0 12 36 1 0 0 0 0 13 39 1 0 0 0 0 14 21 1 0 0 0 0 15 21 2 0 0 0 0 15 28 1 0 0 0 0 16 22 1 0 0 0 0 16 25 1 0 0 0 0 17 23 2 0 0 0 0 17 24 1 0 0 0 0 18 26 2 0 0 0 0 18 34 1 0 0 0 0 19 29 1 0 0 0 0 19 37 1 0 0 0 0 20 1 1 1 0 0 0 20 31 1 0 0 0 0 20 33 1 0 0 0 0 21 23 1 0 0 0 0 22 38 1 1 0 0 0 23 26 1 0 0 0 0 24 25 1 0 0 0 0 24 28 2 0 0 0 0 25 32 2 0 0 0 0 26 27 1 0 0 0 0 27 14 1 1 0 0 0 27 35 1 0 0 0 0 28 40 1 0 0 0 0 29 31 1 6 0 0 0 29 45 1 0 0 0 0 30 36 1 6 0 0 0 30 37 1 0 0 0 0 31 41 1 6 0 0 0 32 38 1 0 0 0 0 32 40 1 0 0 0 0 33 42 2 0 0 0 0 33 44 1 0 0 0 0 34 46 1 0 0 0 0 35 46 1 0 0 0 0 36 38 1 1 0 0 0 37 39 1 6 0 0 0 38 8 1 1 0 0 0 39 43 1 1 0 0 0 39 45 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	11319629
ChEMBL	CHEMBL505385
ZINC

Physicochemical Properties

Molecular Weight:	631.39
ALogP:	1.3721
MLogP:	4.98
XLogP:	6.243
# Rotatable Bonds:	15
Polar Surface Area:	101.01
# H-Bond Aceptor:	7
# H-Bond Donor:	3
# Rings:	8
# Heavy Atoms:	46

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