NPASS Natural Product

Natural Product: NPC47386

Natural Product ID:	NPC47386
Common Name:	Phelligridin H
IUPAC Name:	3-[2-(3,4-dihydroxyphenyl)-6-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-4-oxofuro[3,2-c]pyran-3-yl]-8,9-dihydroxypyrano[4,3-c]isochromene-1,6-dione
Synonyms:	Phelligridin H
Molecular Formula:	C33H18O13
Standard InCHIKey:	PGRXQKVGAJTEBU-DAFODLJHSA-N
Standard InCHI:	InChI=1S/C33H18O13/c34-18-5-2-13(7-20(18)36)1-4-15-9-24-29(33(42)43-15)28(30(44-24)14-3-6-19(35)21(37)8-14)26-12-25-27(32(41)46-26)16-10-22(38)23(39)11-17(16)31(40)45-25/h1-12,34-39H/b4-1+
Canonical SMILES:	Oc1ccc(cc1O)c1oc2c(c1c1oc(=O)c3c(c1)oc(=O)c1c3cc(O)c(c1)O)c(=O)oc(c2)/C=C/c1ccc(c(c1)O)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
NPO24588	Phellinus igniarius	Species	Hymenochaetaceae	Eukaryota				PMID[17279797]
NPO32484	phellinus baumii	Species	Hymenochaetaceae	Eukaryota				PMID[21531558]

Biological Activity

Activity Type	# Activity
IC50	5

Activity Type	# Activity
Cell Line	2
Individual Protein	1
Others	1
Subcellular	1

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT2	Others	Unspecified		IC50	=	84900	nM	18809328
NPT178	Individual Protein	Protein-tyrosine phosphatase 1B	Homo sapiens	IC50	=	3.1	ug/ml	25847765
NPT1084	Subcellular	Liver microsomes	Rattus norvegicus	IC50	=	4800	nM	25847765
NPT180	Cell Line	HCT-8	Homo sapiens	IC50	>	10	ug/ml	23791078
NPT81	Cell Line	A549	Homo sapiens	IC50	>	10	ug/ml	24047259

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 NPC47386 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	349
0.1-0.2	1413
0.2-0.3	2685
0.3-0.4	6527
0.4-0.5	6543
0.5-0.6	2994
0.6-0.7	4839
0.7-0.8	5109
0.8-0.85	411
0.85-0.9	17
0.9-0.95	2
0.95-1	0

Similarity Score	Similarity Level	Natural Product ID
0.9317	High Similarity	NPC300680
0.9146	High Similarity	NPC89131
0.8862	High Similarity	NPC29411
0.875	High Similarity	NPC17042
0.875	High Similarity	NPC155910
0.8636	High Similarity	NPC154527
0.8629	High Similarity	NPC47883
0.8588	High Similarity	NPC226725
0.8563	High Similarity	NPC164384
0.8555	High Similarity	NPC261471
0.8555	High Similarity	NPC473834
0.8547	High Similarity	NPC295436
0.8547	High Similarity	NPC218533
0.8547	High Similarity	NPC78830
0.8538	High Similarity	NPC86477
0.8538	High Similarity	NPC50394
0.8529	High Similarity	NPC259757
0.8514	High Similarity	NPC475783
0.8514	High Similarity	NPC297807
0.8497	Intermediate Similarity	NPC174700
0.8497	Intermediate Similarity	NPC247964
0.8494	Intermediate Similarity	NPC80489
0.8448	Intermediate Similarity	NPC37606
0.8436	Intermediate Similarity	NPC73929
0.8436	Intermediate Similarity	NPC248315
0.8436	Intermediate Similarity	NPC139683
0.8436	Intermediate Similarity	NPC47905
0.8427	Intermediate Similarity	NPC231254
0.8424	Intermediate Similarity	NPC270268
0.8418	Intermediate Similarity	NPC97523
0.8418	Intermediate Similarity	NPC475996
0.8412	Intermediate Similarity	NPC477239
0.8412	Intermediate Similarity	NPC3448
0.8412	Intermediate Similarity	NPC322982
0.8409	Intermediate Similarity	NPC207467
0.8409	Intermediate Similarity	NPC98546
0.8393	Intermediate Similarity	NPC112954
0.8391	Intermediate Similarity	NPC28589
0.8391	Intermediate Similarity	NPC248593
0.8383	Intermediate Similarity	NPC99199
0.8382	Intermediate Similarity	NPC216403
0.8382	Intermediate Similarity	NPC41494
0.8382	Intermediate Similarity	NPC202470
0.8382	Intermediate Similarity	NPC186100
0.838	Intermediate Similarity	NPC304322
0.8375	Intermediate Similarity	NPC91546
0.8363	Intermediate Similarity	NPC133065
0.8353	Intermediate Similarity	NPC34089
0.8353	Intermediate Similarity	NPC196179
0.8352	Intermediate Similarity	NPC156955
0.8343	Intermediate Similarity	NPC149846
0.8343	Intermediate Similarity	NPC117450
0.8333	Intermediate Similarity	NPC476365
0.8333	Intermediate Similarity	NPC137100
0.8333	Intermediate Similarity	NPC65489
0.8324	Intermediate Similarity	NPC470704
0.8315	Intermediate Similarity	NPC265795
0.8314	Intermediate Similarity	NPC38914
0.8314	Intermediate Similarity	NPC169471
0.8314	Intermediate Similarity	NPC291110
0.8314	Intermediate Similarity	NPC39306
0.8313	Intermediate Similarity	NPC290664
0.8313	Intermediate Similarity	NPC193976
0.8313	Intermediate Similarity	NPC23668
0.8304	Intermediate Similarity	NPC84515
0.8304	Intermediate Similarity	NPC144557
0.8304	Intermediate Similarity	NPC312056
0.8295	Intermediate Similarity	NPC227906
0.8284	Intermediate Similarity	NPC268360
0.8276	Intermediate Similarity	NPC53252
0.8274	Intermediate Similarity	NPC254351
0.8266	Intermediate Similarity	NPC171985
0.8266	Intermediate Similarity	NPC277480
0.8266	Intermediate Similarity	NPC320741
0.8263	Intermediate Similarity	NPC207624
0.8263	Intermediate Similarity	NPC142308
0.8263	Intermediate Similarity	NPC125300
0.8263	Intermediate Similarity	NPC41326
0.8258	Intermediate Similarity	NPC473785
0.8256	Intermediate Similarity	NPC38591
0.8256	Intermediate Similarity	NPC134047
0.8256	Intermediate Similarity	NPC45943
0.8256	Intermediate Similarity	NPC272750
0.8256	Intermediate Similarity	NPC67959
0.8256	Intermediate Similarity	NPC272064
0.8256	Intermediate Similarity	NPC173729
0.8256	Intermediate Similarity	NPC223006
0.8249	Intermediate Similarity	NPC24258
0.8249	Intermediate Similarity	NPC471841
0.8249	Intermediate Similarity	NPC216307
0.8246	Intermediate Similarity	NPC188486
0.8246	Intermediate Similarity	NPC231758
0.8239	Intermediate Similarity	NPC82217
0.8239	Intermediate Similarity	NPC216842
0.8239	Intermediate Similarity	NPC476640
0.8239	Intermediate Similarity	NPC310794
0.8235	Intermediate Similarity	NPC55443
0.8235	Intermediate Similarity	NPC244750
0.8235	Intermediate Similarity	NPC18699
0.8225	Intermediate Similarity	NPC472461
0.8222	Intermediate Similarity	NPC71260
0.8218	Intermediate Similarity	NPC286230
0.8218	Intermediate Similarity	NPC253730
0.8218	Intermediate Similarity	NPC241820
0.8214	Intermediate Similarity	NPC235333
0.8214	Intermediate Similarity	NPC469888
0.8208	Intermediate Similarity	NPC474591
0.8208	Intermediate Similarity	NPC37183
0.8204	Intermediate Similarity	NPC115324
0.8204	Intermediate Similarity	NPC58668
0.8204	Intermediate Similarity	NPC267091
0.8204	Intermediate Similarity	NPC106372
0.8198	Intermediate Similarity	NPC272722
0.8198	Intermediate Similarity	NPC219927
0.8198	Intermediate Similarity	NPC144843
0.8198	Intermediate Similarity	NPC329760
0.8197	Intermediate Similarity	NPC264302
0.8192	Intermediate Similarity	NPC287243
0.8187	Intermediate Similarity	NPC312993
0.8187	Intermediate Similarity	NPC115432
0.8187	Intermediate Similarity	NPC260296
0.8182	Intermediate Similarity	NPC158226
0.8182	Intermediate Similarity	NPC54098
0.8182	Intermediate Similarity	NPC271848
0.8182	Intermediate Similarity	NPC81332
0.8182	Intermediate Similarity	NPC262580
0.8182	Intermediate Similarity	NPC212038
0.8182	Intermediate Similarity	NPC476370
0.8182	Intermediate Similarity	NPC230619
0.8182	Intermediate Similarity	NPC289396
0.8177	Intermediate Similarity	NPC261623
0.8177	Intermediate Similarity	NPC111490
0.8177	Intermediate Similarity	NPC112380
0.8177	Intermediate Similarity	NPC469650
0.8176	Intermediate Similarity	NPC68324
0.8176	Intermediate Similarity	NPC114179
0.8176	Intermediate Similarity	NPC183
0.8176	Intermediate Similarity	NPC38779
0.8176	Intermediate Similarity	NPC156818
0.8176	Intermediate Similarity	NPC185526
0.8176	Intermediate Similarity	NPC289322
0.8176	Intermediate Similarity	NPC160512
0.8171	Intermediate Similarity	NPC280493
0.8171	Intermediate Similarity	NPC107627
0.8171	Intermediate Similarity	NPC188079
0.8167	Intermediate Similarity	NPC471842
0.8166	Intermediate Similarity	NPC213936
0.8166	Intermediate Similarity	NPC297531
0.8166	Intermediate Similarity	NPC148938
0.8161	Intermediate Similarity	NPC224851
0.8161	Intermediate Similarity	NPC272560
0.816	Intermediate Similarity	NPC470130
0.815	Intermediate Similarity	NPC159508
0.815	Intermediate Similarity	NPC477689
0.815	Intermediate Similarity	NPC155640
0.8146	Intermediate Similarity	NPC296018
0.8146	Intermediate Similarity	NPC154741
0.8146	Intermediate Similarity	NPC49667
0.8146	Intermediate Similarity	NPC8127
0.8144	Intermediate Similarity	NPC295036
0.8144	Intermediate Similarity	NPC243891
0.814	Intermediate Similarity	NPC273467
0.814	Intermediate Similarity	NPC216916
0.814	Intermediate Similarity	NPC189552
0.8137	Intermediate Similarity	NPC191280
0.8136	Intermediate Similarity	NPC59491
0.8136	Intermediate Similarity	NPC476374
0.8136	Intermediate Similarity	NPC24748
0.8136	Intermediate Similarity	NPC277510
0.8132	Intermediate Similarity	NPC105591
0.8132	Intermediate Similarity	NPC469649
0.8132	Intermediate Similarity	NPC260521
0.8132	Intermediate Similarity	NPC269625
0.8129	Intermediate Similarity	NPC177650
0.8129	Intermediate Similarity	NPC315157
0.8129	Intermediate Similarity	NPC472877
0.8129	Intermediate Similarity	NPC16935
0.8129	Intermediate Similarity	NPC228501
0.8129	Intermediate Similarity	NPC196879
0.8129	Intermediate Similarity	NPC46736
0.8129	Intermediate Similarity	NPC280680
0.8125	Intermediate Similarity	NPC109827
0.8125	Intermediate Similarity	NPC131866
0.8125	Intermediate Similarity	NPC180768
0.8125	Intermediate Similarity	NPC101107
0.8125	Intermediate Similarity	NPC476641
0.8125	Intermediate Similarity	NPC124470
0.8122	Intermediate Similarity	NPC476170
0.8118	Intermediate Similarity	NPC318432
0.8118	Intermediate Similarity	NPC104983
0.8118	Intermediate Similarity	NPC153512
0.8118	Intermediate Similarity	NPC300845
0.8118	Intermediate Similarity	NPC291948
0.8118	Intermediate Similarity	NPC250436
0.8118	Intermediate Similarity	NPC88803
0.8118	Intermediate Similarity	NPC13879
0.8118	Intermediate Similarity	NPC54928
0.8114	Intermediate Similarity	NPC186392
0.8114	Intermediate Similarity	NPC247973
0.8114	Intermediate Similarity	NPC76647

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC47386 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	348
0.1-0.2	934
0.2-0.3	1608
0.3-0.4	2655
0.4-0.5	2069
0.5-0.6	1080
0.6-0.7	342
0.7-0.8	118
0.8-0.85	7
0.85-0.9	0
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.8393	Intermediate Similarity	NPD3749	Approved
0.8118	Intermediate Similarity	NPD4868	Clinical (unspecified phase)
0.8092	Intermediate Similarity	NPD6232	Discontinued
0.8057	Intermediate Similarity	NPD7473	Discontinued
0.8011	Intermediate Similarity	NPD3818	Discontinued
0.8	Intermediate Similarity	NPD1511	Approved
0.8	Intermediate Similarity	NPD1465	Phase 2
0.7978	Intermediate Similarity	NPD7993	Clinical (unspecified phase)
0.7923	Intermediate Similarity	NPD8397	Clinical (unspecified phase)
0.7904	Intermediate Similarity	NPD1512	Approved
0.7898	Intermediate Similarity	NPD6167	Clinical (unspecified phase)
0.7898	Intermediate Similarity	NPD6168	Clinical (unspecified phase)
0.7898	Intermediate Similarity	NPD7852	Clinical (unspecified phase)
0.7898	Intermediate Similarity	NPD6166	Phase 2
0.7895	Intermediate Similarity	NPD2801	Approved
0.787	Intermediate Similarity	NPD3226	Approved
0.7853	Intermediate Similarity	NPD2344	Approved
0.7803	Intermediate Similarity	NPD3882	Suspended
0.7791	Intermediate Similarity	NPD7819	Suspended
0.7791	Intermediate Similarity	NPD2393	Clinical (unspecified phase)
0.7746	Intermediate Similarity	NPD3817	Phase 2
0.774	Intermediate Similarity	NPD3926	Phase 2
0.7733	Intermediate Similarity	NPD1934	Approved
0.7727	Intermediate Similarity	NPD6959	Discontinued
0.7711	Intermediate Similarity	NPD3750	Approved
0.7692	Intermediate Similarity	NPD4338	Clinical (unspecified phase)
0.7674	Intermediate Similarity	NPD7411	Suspended
0.7667	Intermediate Similarity	NPD7054	Approved
0.7667	Intermediate Similarity	NPD5844	Phase 1
0.7665	Intermediate Similarity	NPD2309	Approved
0.765	Intermediate Similarity	NPD8313	Approved
0.765	Intermediate Similarity	NPD8312	Approved
0.7633	Intermediate Similarity	NPD7410	Clinical (unspecified phase)
0.7624	Intermediate Similarity	NPD7074	Phase 3
0.7624	Intermediate Similarity	NPD7472	Approved
0.76	Intermediate Similarity	NPD7768	Phase 2
0.7582	Intermediate Similarity	NPD6797	Phase 2
0.7578	Intermediate Similarity	NPD3764	Approved
0.7557	Intermediate Similarity	NPD4381	Clinical (unspecified phase)
0.7544	Intermediate Similarity	NPD6980	Clinical (unspecified phase)
0.7543	Intermediate Similarity	NPD8443	Clinical (unspecified phase)
0.7543	Intermediate Similarity	NPD5402	Approved
0.7541	Intermediate Similarity	NPD7251	Discontinued
0.7541	Intermediate Similarity	NPD6559	Discontinued
0.7527	Intermediate Similarity	NPD8434	Phase 2
0.7514	Intermediate Similarity	NPD4380	Phase 2
0.75	Intermediate Similarity	NPD7808	Phase 3
0.7473	Intermediate Similarity	NPD8055	Clinical (unspecified phase)
0.7472	Intermediate Similarity	NPD5494	Approved
0.7471	Intermediate Similarity	NPD6143	Clinical (unspecified phase)
0.746	Intermediate Similarity	NPD7879	Clinical (unspecified phase)
0.7458	Intermediate Similarity	NPD7075	Discontinued
0.7447	Intermediate Similarity	NPD4287	Approved
0.744	Intermediate Similarity	NPD7421	Clinical (unspecified phase)
0.7427	Intermediate Similarity	NPD4378	Clinical (unspecified phase)
0.7416	Intermediate Similarity	NPD919	Approved
0.741	Intermediate Similarity	NPD3748	Approved
0.7381	Intermediate Similarity	NPD970	Clinical (unspecified phase)
0.7365	Intermediate Similarity	NPD5405	Approved
0.7365	Intermediate Similarity	NPD5408	Approved
0.7365	Intermediate Similarity	NPD5404	Approved
0.7365	Intermediate Similarity	NPD5406	Approved
0.7351	Intermediate Similarity	NPD7685	Pre-registration
0.7341	Intermediate Similarity	NPD5403	Approved
0.7341	Intermediate Similarity	NPD920	Approved
0.7337	Intermediate Similarity	NPD1243	Approved
0.7333	Intermediate Similarity	NPD7199	Phase 2
0.7333	Intermediate Similarity	NPD1247	Approved
0.733	Intermediate Similarity	NPD6801	Discontinued
0.7326	Intermediate Similarity	NPD642	Clinical (unspecified phase)
0.7326	Intermediate Similarity	NPD2533	Approved
0.7326	Intermediate Similarity	NPD2532	Approved
0.7326	Intermediate Similarity	NPD2534	Approved
0.7322	Intermediate Similarity	NPD3751	Discontinued
0.7321	Intermediate Similarity	NPD1471	Phase 3
0.7321	Intermediate Similarity	NPD2346	Discontinued
0.7318	Intermediate Similarity	NPD6234	Discontinued
0.7305	Intermediate Similarity	NPD1510	Phase 2
0.7294	Intermediate Similarity	NPD4628	Phase 3
0.7288	Intermediate Similarity	NPD7096	Clinical (unspecified phase)
0.7283	Intermediate Similarity	NPD7804	Clinical (unspecified phase)
0.7278	Intermediate Similarity	NPD1549	Phase 2
0.7273	Intermediate Similarity	NPD943	Approved
0.7267	Intermediate Similarity	NPD7390	Discontinued
0.7267	Intermediate Similarity	NPD6799	Approved
0.7262	Intermediate Similarity	NPD2935	Discontinued
0.7256	Intermediate Similarity	NPD2313	Discontinued
0.7253	Intermediate Similarity	NPD7184	Clinical (unspecified phase)
0.7251	Intermediate Similarity	NPD6190	Approved
0.7229	Intermediate Similarity	NPD230	Phase 1
0.7229	Intermediate Similarity	NPD447	Suspended
0.7228	Intermediate Similarity	NPD7893	Clinical (unspecified phase)
0.7228	Intermediate Similarity	NPD7228	Approved
0.7225	Intermediate Similarity	NPD5401	Approved
0.7225	Intermediate Similarity	NPD7004	Clinical (unspecified phase)
0.7225	Intermediate Similarity	NPD7422	Clinical (unspecified phase)
0.7219	Intermediate Similarity	NPD1552	Clinical (unspecified phase)
0.7219	Intermediate Similarity	NPD1550	Clinical (unspecified phase)
0.7216	Intermediate Similarity	NPD6599	Discontinued
0.7209	Intermediate Similarity	NPD643	Clinical (unspecified phase)
0.7202	Intermediate Similarity	NPD2799	Discontinued
0.7164	Intermediate Similarity	NPD8151	Discontinued
0.716	Intermediate Similarity	NPD2796	Approved
0.7159	Intermediate Similarity	NPD5808	Clinical (unspecified phase)
0.7158	Intermediate Similarity	NPD8150	Discontinued
0.7151	Intermediate Similarity	NPD2296	Approved
0.7135	Intermediate Similarity	NPD2800	Approved
0.7135	Intermediate Similarity	NPD37	Approved
0.7118	Intermediate Similarity	NPD2343	Clinical (unspecified phase)
0.7111	Intermediate Similarity	NPD4965	Approved
0.7111	Intermediate Similarity	NPD4967	Phase 2
0.7111	Intermediate Similarity	NPD4966	Approved
0.7104	Intermediate Similarity	NPD6808	Phase 2
0.7104	Intermediate Similarity	NPD3787	Discontinued
0.7101	Intermediate Similarity	NPD651	Clinical (unspecified phase)
0.7095	Intermediate Similarity	NPD8455	Phase 2
0.7093	Intermediate Similarity	NPD8166	Discontinued
0.7066	Intermediate Similarity	NPD1240	Approved
0.7055	Intermediate Similarity	NPD1203	Approved
0.7048	Intermediate Similarity	NPD3268	Approved
0.7011	Intermediate Similarity	NPD7229	Phase 3
0.701	Intermediate Similarity	NPD7783	Phase 2
0.701	Intermediate Similarity	NPD7782	Clinical (unspecified phase)
0.7	Intermediate Similarity	NPD7435	Discontinued
0.7	Intermediate Similarity	NPD1509	Clinical (unspecified phase)
0.6994	Remote Similarity	NPD3225	Approved
0.6994	Remote Similarity	NPD7003	Approved
0.6989	Remote Similarity	NPD6273	Approved
0.6982	Remote Similarity	NPD1607	Approved
0.6975	Remote Similarity	NPD1608	Approved
0.6959	Remote Similarity	NPD1551	Phase 2
0.6957	Remote Similarity	NPD8127	Discontinued
0.6952	Remote Similarity	NPD7177	Discontinued
0.6951	Remote Similarity	NPD1470	Approved
0.694	Remote Similarity	NPD5537	Clinical (unspecified phase)
0.6935	Remote Similarity	NPD6776	Approved
0.6935	Remote Similarity	NPD6782	Approved
0.6935	Remote Similarity	NPD6780	Approved
0.6935	Remote Similarity	NPD6781	Approved
0.6935	Remote Similarity	NPD6777	Approved
0.6935	Remote Similarity	NPD6779	Approved
0.6935	Remote Similarity	NPD6778	Approved
0.6931	Remote Similarity	NPD5953	Discontinued
0.6897	Remote Similarity	NPD1878	Clinical (unspecified phase)
0.6884	Remote Similarity	NPD8285	Discontinued
0.6881	Remote Similarity	NPD7871	Phase 2
0.6881	Remote Similarity	NPD7870	Phase 2
0.6878	Remote Similarity	NPD7875	Clinical (unspecified phase)
0.6878	Remote Similarity	NPD7874	Approved
0.6871	Remote Similarity	NPD9269	Phase 2
0.6869	Remote Similarity	NPD8090	Clinical (unspecified phase)
0.6868	Remote Similarity	NPD4288	Approved
0.6851	Remote Similarity	NPD6279	Approved
0.6851	Remote Similarity	NPD6280	Approved
0.685	Remote Similarity	NPD7501	Clinical (unspecified phase)
0.6848	Remote Similarity	NPD2797	Approved
0.6832	Remote Similarity	NPD7696	Phase 3
0.6832	Remote Similarity	NPD7698	Approved
0.6832	Remote Similarity	NPD7697	Approved
0.6829	Remote Similarity	NPD4379	Clinical (unspecified phase)
0.6828	Remote Similarity	NPD5711	Approved
0.6828	Remote Similarity	NPD5710	Approved
0.6826	Remote Similarity	NPD1529	Clinical (unspecified phase)
0.6826	Remote Similarity	NPD6832	Phase 2
0.6824	Remote Similarity	NPD1933	Approved
0.6813	Remote Similarity	NPD5760	Phase 2
0.6813	Remote Similarity	NPD5761	Phase 2
0.6807	Remote Similarity	NPD2798	Approved
0.6806	Remote Similarity	NPD7240	Approved
0.6802	Remote Similarity	NPD7033	Discontinued
0.6802	Remote Similarity	NPD4308	Phase 3
0.679	Remote Similarity	NPD17	Approved
0.678	Remote Similarity	NPD7701	Phase 2
0.6778	Remote Similarity	NPD7458	Discontinued
0.6768	Remote Similarity	NPD9717	Approved
0.6766	Remote Similarity	NPD9494	Approved
0.6766	Remote Similarity	NPD1530	Clinical (unspecified phase)
0.6749	Remote Similarity	NPD7680	Approved
0.6747	Remote Similarity	NPD3266	Approved
0.6747	Remote Similarity	NPD3267	Approved
0.6746	Remote Similarity	NPD6859	Clinical (unspecified phase)
0.6737	Remote Similarity	NPD7286	Phase 2
0.6725	Remote Similarity	NPD1899	Clinical (unspecified phase)
0.6724	Remote Similarity	NPD7266	Discontinued
0.6722	Remote Similarity	NPD1653	Approved
0.6716	Remote Similarity	NPD8320	Phase 1
0.6716	Remote Similarity	NPD8319	Approved
0.6707	Remote Similarity	NPD1201	Approved
0.6706	Remote Similarity	NPD8032	Phase 2
0.6706	Remote Similarity	NPD6233	Phase 2
0.6705	Remote Similarity	NPD6398	Clinical (unspecified phase)
0.6703	Remote Similarity	NPD6385	Approved
0.6703	Remote Similarity	NPD6386	Approved
0.6702	Remote Similarity	NPD5242	Approved
0.6687	Remote Similarity	NPD1876	Approved
0.6686	Remote Similarity	NPD7095	Approved
0.6684	Remote Similarity	NPD4419	Clinical (unspecified phase)
0.6683	Remote Similarity	NPD7801	Approved
0.6683	Remote Similarity	NPD6535	Approved
0.6683	Remote Similarity	NPD6534	Approved

Structure

NPC47386 OpenBabel07101718202D 46 52 0 0 0 0 0 0 0 0999 V2000 -1.9563 -0.4158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2435 -1.5748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7904 2.9203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6473 0.5352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2216 -1.7827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5335 3.5895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6036 0.1194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6314 4.2075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3601 1.6942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5308 0.0657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5308 -1.9343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0667 0.0657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9344 -0.6237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8393 3.2294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6691 0.7431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6648 -0.4343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6648 -1.4343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8907 -1.0396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3256 4.5676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5817 -0.0885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3746 4.8766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3969 -0.4343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3969 -1.4343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6180 1.9021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9328 -0.4343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0667 1.0657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7988 0.0657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2007 1.5657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2872 1.1590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0962 2.5602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7988 -1.9343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7988 1.0657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9781 0.2079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8689 -1.2475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0688 5.2367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2509 0.6546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1666 5.8548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2629 0.0657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2629 -1.9343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7988 -2.9343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6648 1.5657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6473 -0.5352 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 1.1180 2.7681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9328 -1.4343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9328 1.5657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 1 13 1 0 0 0 0 2 5 2 0 0 0 0 2 13 1 0 0 0 0 3 6 2 0 0 0 0 3 14 1 0 0 0 0 4 15 1 0 0 0 0 5 18 1 0 0 0 0 6 19 1 0 0 0 0 7 13 2 0 0 0 0 7 20 1 0 0 0 0 8 14 2 0 0 0 0 8 21 1 0 0 0 0 9 15 2 0 0 0 0 9 24 1 0 0 0 0 10 16 2 0 0 0 0 10 22 1 0 0 0 0 11 17 2 0 0 0 0 11 23 1 0 0 0 0 12 25 1 0 0 0 0 12 26 2 0 0 0 0 14 30 1 0 0 0 0 15 43 1 0 0 0 0 16 17 1 0 0 0 0 16 27 1 0 0 0 0 17 31 1 0 0 0 0 18 20 2 0 0 0 0 18 34 1 0 0 0 0 19 21 2 0 0 0 0 19 35 1 0 0 0 0 20 36 1 0 0 0 0 21 37 1 0 0 0 0 22 23 2 0 0 0 0 22 38 1 0 0 0 0 23 39 1 0 0 0 0 24 29 2 0 0 0 0 24 44 1 0 0 0 0 25 27 2 0 0 0 0 25 45 1 0 0 0 0 26 28 1 0 0 0 0 26 46 1 0 0 0 0 27 32 1 0 0 0 0 28 29 1 0 0 0 0 28 30 2 0 0 0 0 29 33 1 0 0 0 0 30 44 1 0 0 0 0 31 40 2 0 0 0 0 31 45 1 0 0 0 0 32 41 2 0 0 0 0 32 46 1 0 0 0 0 33 42 2 0 0 0 0 33 43 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	16109844
ChEMBL	CHEMBL376755
ZINC

Physicochemical Properties

Molecular Weight:	622.07
ALogP:	-2.854
MLogP:	3.66
XLogP:	3.551
# Rotatable Bonds:	10
Polar Surface Area:	213.42
# H-Bond Aceptor:	6
# H-Bond Donor:	6
# Rings:	7
# Heavy Atoms:	46

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