NPASS Natural Product

Natural Product: NPC85316

Natural Product ID:	NPC85316
Common Name:	Landomycin T
IUPAC Name:	1-hydroxy-8-[(2S,4R,5S,6R)-4-hydroxy-5-[(2S,4R,5R,6R)-5-hydroxy-4-[(2S,5S,6S)-5-[(2S,4R,5S,6R)-4-hydroxy-5-[(2S,4R,5R,6R)-5-hydroxy-4-[(2S,5S,6S)-5-hydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-3-methylbenzo[a]anthracene-7,12-dione
Synonyms:	Landomycin T
Molecular Formula:	C55H72O20
Standard InCHIKey:	JRNYSTBRLOBYJT-BAFVABHDSA-N
Standard InCHI:	InChI=1S/C55H72O20/c1-23-17-30-11-12-32-49(47(30)34(57)18-23)53(63)31-9-8-10-38(48(31)52(32)62)71-44-20-36(59)55(29(7)69-44)75-46-22-40(51(61)27(5)67-46)73-42-16-14-37(25(3)65-42)70-43-19-35(58)54(28(6)68-43)74-45-21-39(50(60)26(4)66-45)72-41-15-13-33(56)24(2)64-41/h8-12,17-18,24-29,33,35-37,39-46,50-51,54-61H,13-16,19-22H2,1-7H3/t24-,25-,26+,27+,28+,29+,33-,35+,36+,37-,39+,40+,41-,42-,43-,44-,45-,46-,50+,51+,54+,55+/m0/s1
Canonical SMILES:	Cc1cc(O)c2c(c1)ccc1c2C(=O)c2c(C1=O)c(ccc2)O[C@H]1C[C@@H](O)[C@@H]([C@H](O1)C)O[C@H]1C[C@@H](O[C@H]2CC[C@@H]([C@@H](O2)C)O[C@H]2C[C@@H](O)[C@@H]([C@H](O2)C)O[C@@H]2O[C@H](C)[C@H]([C@@H](C2)O[C@H]2CC[C@@H]([C@@H](O2)C)O)O)[C@@H]([C@H](O1)C)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
NPO19685	Streptomyces cyanogenus	Species	Streptomycetaceae	Bacteria				PMID[21188999]
NPO19685.1	Streptomyces cyanogenus k62	Subspecies	Streptomycetaceae	Bacteria				StreptomeDB*

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	=	1850	nM	21188999

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 NPC85316 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	350
0.1-0.2	1246
0.2-0.3	2372
0.3-0.4	5296
0.4-0.5	6864
0.5-0.6	4372
0.6-0.7	4792
0.7-0.8	4640
0.8-0.85	804
0.85-0.9	112
0.9-0.95	32
0.95-1	9

Similarity Score	Similarity Level	Natural Product ID
1.0	High Similarity	NPC197357
0.9881	High Similarity	NPC292706
0.9881	High Similarity	NPC224557
0.9819	High Similarity	NPC289876
0.9702	High Similarity	NPC58538
0.9699	High Similarity	NPC203751
0.9583	High Similarity	NPC102053
0.9524	High Similarity	NPC223735
0.9524	High Similarity	NPC307754
0.9477	High Similarity	NPC87583
0.9464	High Similarity	NPC85368
0.9353	High Similarity	NPC314489
0.9353	High Similarity	NPC198893
0.9353	High Similarity	NPC232818
0.9244	High Similarity	NPC299149
0.9244	High Similarity	NPC114257
0.9244	High Similarity	NPC277710
0.9244	High Similarity	NPC153578
0.924	High Similarity	NPC76112
0.924	High Similarity	NPC92403
0.924	High Similarity	NPC170018
0.924	High Similarity	NPC66820
0.9226	High Similarity	NPC63470
0.9217	High Similarity	NPC278329
0.9217	High Similarity	NPC146837
0.9217	High Similarity	NPC101116
0.9217	High Similarity	NPC212099
0.9181	High Similarity	NPC470667
0.9181	High Similarity	NPC186800
0.9176	High Similarity	NPC315619
0.9143	High Similarity	NPC241847
0.9128	High Similarity	NPC46958
0.9128	High Similarity	NPC475246
0.9107	High Similarity	NPC178281
0.908	High Similarity	NPC475161
0.908	High Similarity	NPC477860
0.907	High Similarity	NPC3718
0.9059	High Similarity	NPC246274
0.9023	High Similarity	NPC72783
0.9017	High Similarity	NPC176246
0.9012	High Similarity	NPC199357
0.8994	High Similarity	NPC314459
0.8994	High Similarity	NPC470199
0.8988	High Similarity	NPC216752
0.8953	High Similarity	NPC5029
0.8953	High Similarity	NPC111536
0.8953	High Similarity	NPC271385
0.8953	High Similarity	NPC76128
0.8953	High Similarity	NPC30432
0.8939	High Similarity	NPC264302
0.8933	High Similarity	NPC205721
0.8927	High Similarity	NPC473686
0.8927	High Similarity	NPC475352
0.8927	High Similarity	NPC221140
0.8927	High Similarity	NPC229817
0.8927	High Similarity	NPC475220
0.8922	High Similarity	NPC53139
0.892	High Similarity	NPC476203
0.8902	High Similarity	NPC213052
0.8902	High Similarity	NPC65118
0.8895	High Similarity	NPC470196
0.8895	High Similarity	NPC470193
0.8895	High Similarity	NPC470195
0.8895	High Similarity	NPC470194
0.8895	High Similarity	NPC282474
0.8895	High Similarity	NPC470200
0.8895	High Similarity	NPC470197
0.8895	High Similarity	NPC316274
0.8895	High Similarity	NPC470198
0.8882	High Similarity	NPC478020
0.8882	High Similarity	NPC478022
0.8876	High Similarity	NPC97637
0.8876	High Similarity	NPC105591
0.8876	High Similarity	NPC187934
0.8852	High Similarity	NPC131405
0.8851	High Similarity	NPC68381
0.8844	High Similarity	NPC183441
0.8837	High Similarity	NPC222455
0.8814	High Similarity	NPC475662
0.8814	High Similarity	NPC473717
0.8814	High Similarity	NPC473631
0.8814	High Similarity	NPC293227
0.88	High Similarity	NPC475233
0.8793	High Similarity	NPC168789
0.8778	High Similarity	NPC314672
0.8772	High Similarity	NPC99216
0.8764	High Similarity	NPC318119
0.8757	High Similarity	NPC470448
0.8757	High Similarity	NPC470452
0.8757	High Similarity	NPC470453
0.8757	High Similarity	NPC164047
0.8743	High Similarity	NPC70862
0.8743	High Similarity	NPC63105
0.8728	High Similarity	NPC259905
0.8722	High Similarity	NPC473618
0.8721	High Similarity	NPC178851
0.8713	High Similarity	NPC17432
0.8708	High Similarity	NPC313452
0.8708	High Similarity	NPC478001
0.8708	High Similarity	NPC321916
0.8701	High Similarity	NPC187441
0.8701	High Similarity	NPC245059
0.8701	High Similarity	NPC84494
0.8701	High Similarity	NPC283980
0.8701	High Similarity	NPC212290
0.8689	High Similarity	NPC314687
0.8686	High Similarity	NPC98776
0.8678	High Similarity	NPC298778
0.8678	High Similarity	NPC52598
0.8678	High Similarity	NPC478021
0.8667	High Similarity	NPC65489
0.8667	High Similarity	NPC179947
0.8659	High Similarity	NPC231254
0.8652	High Similarity	NPC315221
0.8644	High Similarity	NPC47191
0.8639	High Similarity	NPC208651
0.8639	High Similarity	NPC206641
0.8636	High Similarity	NPC146803
0.8629	High Similarity	NPC478002
0.8629	High Similarity	NPC294501
0.8626	High Similarity	NPC48474
0.8621	High Similarity	NPC175477
0.8603	High Similarity	NPC132111
0.858	High Similarity	NPC283480
0.858	High Similarity	NPC148323
0.858	High Similarity	NPC472054
0.8571	High Similarity	NPC76047
0.8563	High Similarity	NPC103633
0.8556	High Similarity	NPC75574
0.8555	High Similarity	NPC478026
0.8547	High Similarity	NPC190450
0.8539	High Similarity	NPC478000
0.8539	High Similarity	NPC470581
0.8539	High Similarity	NPC83331
0.8539	High Similarity	NPC470582
0.8539	High Similarity	NPC115447
0.8538	High Similarity	NPC328093
0.8531	High Similarity	NPC199533
0.8531	High Similarity	NPC474345
0.8531	High Similarity	NPC470454
0.8529	High Similarity	NPC177742
0.8523	High Similarity	NPC257011
0.8523	High Similarity	NPC137871
0.8523	High Similarity	NPC288152
0.8523	High Similarity	NPC9002
0.8521	High Similarity	NPC192219
0.8521	High Similarity	NPC3449
0.8521	High Similarity	NPC82190
0.8521	High Similarity	NPC174599
0.8514	High Similarity	NPC473202
0.8514	High Similarity	NPC470207
0.8514	High Similarity	NPC470206
0.8506	High Similarity	NPC70441
0.8497	Intermediate Similarity	NPC124155
0.8497	Intermediate Similarity	NPC257566
0.8497	Intermediate Similarity	NPC311850
0.8492	Intermediate Similarity	NPC161609
0.8492	Intermediate Similarity	NPC275690
0.8492	Intermediate Similarity	NPC473895
0.8488	Intermediate Similarity	NPC132737
0.8488	Intermediate Similarity	NPC73148
0.8488	Intermediate Similarity	NPC472261
0.8483	Intermediate Similarity	NPC255799
0.8475	Intermediate Similarity	NPC25724
0.8475	Intermediate Similarity	NPC470438
0.847	Intermediate Similarity	NPC160543
0.847	Intermediate Similarity	NPC31208
0.847	Intermediate Similarity	NPC187632
0.847	Intermediate Similarity	NPC93065
0.847	Intermediate Similarity	NPC472720
0.847	Intermediate Similarity	NPC472721
0.847	Intermediate Similarity	NPC472724
0.847	Intermediate Similarity	NPC469652
0.8466	Intermediate Similarity	NPC313304
0.8466	Intermediate Similarity	NPC43434
0.8466	Intermediate Similarity	NPC472129
0.8466	Intermediate Similarity	NPC199079
0.8466	Intermediate Similarity	NPC210808
0.8462	Intermediate Similarity	NPC64755
0.8462	Intermediate Similarity	NPC474622
0.8462	Intermediate Similarity	NPC205172
0.8462	Intermediate Similarity	NPC209393
0.8462	Intermediate Similarity	NPC474621
0.8457	Intermediate Similarity	NPC234497
0.8457	Intermediate Similarity	NPC472058
0.8457	Intermediate Similarity	NPC470341
0.8457	Intermediate Similarity	NPC324522
0.8457	Intermediate Similarity	NPC105414
0.8457	Intermediate Similarity	NPC249977
0.8453	Intermediate Similarity	NPC49690
0.8449	Intermediate Similarity	NPC174140
0.8448	Intermediate Similarity	NPC297404
0.8448	Intermediate Similarity	NPC11608
0.8439	Intermediate Similarity	NPC475382
0.8439	Intermediate Similarity	NPC44947
0.8436	Intermediate Similarity	NPC266513
0.8436	Intermediate Similarity	NPC475261
0.8436	Intermediate Similarity	NPC471789
0.8436	Intermediate Similarity	NPC267549
0.8432	Intermediate Similarity	NPC477082

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC85316 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	357
0.1-0.2	907
0.2-0.3	1629
0.3-0.4	2676
0.4-0.5	2053
0.5-0.6	1035
0.6-0.7	357
0.7-0.8	107
0.8-0.85	37
0.85-0.9	1
0.9-0.95	2
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.924	High Similarity	NPD8312	Approved
0.924	High Similarity	NPD8313	Approved
0.8771	High Similarity	NPD7879	Clinical (unspecified phase)
0.8409	Intermediate Similarity	NPD7804	Clinical (unspecified phase)
0.8382	Intermediate Similarity	NPD6959	Discontinued
0.8377	Intermediate Similarity	NPD8151	Discontinued
0.8362	Intermediate Similarity	NPD7074	Phase 3
0.8352	Intermediate Similarity	NPD8397	Clinical (unspecified phase)
0.8307	Intermediate Similarity	NPD7696	Phase 3
0.8307	Intermediate Similarity	NPD7698	Approved
0.8307	Intermediate Similarity	NPD7697	Approved
0.829	Intermediate Similarity	NPD7782	Clinical (unspecified phase)
0.829	Intermediate Similarity	NPD7783	Phase 2
0.8268	Intermediate Similarity	NPD6559	Discontinued
0.8263	Intermediate Similarity	NPD7870	Phase 2
0.8263	Intermediate Similarity	NPD7871	Phase 2
0.8258	Intermediate Similarity	NPD7472	Approved
0.8246	Intermediate Similarity	NPD8455	Phase 2
0.8245	Intermediate Similarity	NPD6782	Approved
0.8245	Intermediate Similarity	NPD6781	Approved
0.8245	Intermediate Similarity	NPD6780	Approved
0.8245	Intermediate Similarity	NPD6776	Approved
0.8245	Intermediate Similarity	NPD6778	Approved
0.8245	Intermediate Similarity	NPD6777	Approved
0.8245	Intermediate Similarity	NPD6779	Approved
0.8229	Intermediate Similarity	NPD7701	Phase 2
0.8222	Intermediate Similarity	NPD7808	Phase 3
0.8211	Intermediate Similarity	NPD7435	Discontinued
0.8208	Intermediate Similarity	NPD4381	Clinical (unspecified phase)
0.8202	Intermediate Similarity	NPD7054	Approved
0.8167	Intermediate Similarity	NPD7251	Discontinued
0.8138	Intermediate Similarity	NPD7699	Phase 2
0.8138	Intermediate Similarity	NPD7700	Phase 2
0.8111	Intermediate Similarity	NPD6797	Phase 2
0.8073	Intermediate Similarity	NPD8319	Approved
0.8073	Intermediate Similarity	NPD8320	Phase 1
0.8051	Intermediate Similarity	NPD7874	Approved
0.8051	Intermediate Similarity	NPD7875	Clinical (unspecified phase)
0.8012	Intermediate Similarity	NPD3226	Approved
0.801	Intermediate Similarity	NPD7801	Approved
0.7989	Intermediate Similarity	NPD7473	Discontinued
0.7979	Intermediate Similarity	NPD6534	Approved
0.7979	Intermediate Similarity	NPD6535	Approved
0.7969	Intermediate Similarity	NPD6823	Phase 2
0.7944	Intermediate Similarity	NPD3818	Discontinued
0.7933	Intermediate Similarity	NPD6167	Clinical (unspecified phase)
0.7933	Intermediate Similarity	NPD6168	Clinical (unspecified phase)
0.7933	Intermediate Similarity	NPD6166	Phase 2
0.7931	Intermediate Similarity	NPD7819	Suspended
0.7926	Intermediate Similarity	NPD6212	Phase 3
0.7926	Intermediate Similarity	NPD6214	Clinical (unspecified phase)
0.7926	Intermediate Similarity	NPD6213	Phase 3
0.7921	Intermediate Similarity	NPD6232	Discontinued
0.7901	Intermediate Similarity	NPD5844	Phase 1
0.7886	Intermediate Similarity	NPD8443	Clinical (unspecified phase)
0.7861	Intermediate Similarity	NPD4380	Phase 2
0.7849	Intermediate Similarity	NPD8150	Discontinued
0.7845	Intermediate Similarity	NPD3751	Discontinued
0.7833	Intermediate Similarity	NPD7852	Clinical (unspecified phase)
0.7814	Intermediate Similarity	NPD7993	Clinical (unspecified phase)
0.7797	Intermediate Similarity	NPD7075	Discontinued
0.7745	Intermediate Similarity	NPD8155	Clinical (unspecified phase)
0.773	Intermediate Similarity	NPD4338	Clinical (unspecified phase)
0.7727	Intermediate Similarity	NPD2393	Clinical (unspecified phase)
0.7722	Intermediate Similarity	NPD3787	Discontinued
0.7701	Intermediate Similarity	NPD5808	Clinical (unspecified phase)
0.7701	Intermediate Similarity	NPD7458	Discontinued
0.7679	Intermediate Similarity	NPD2346	Discontinued
0.764	Intermediate Similarity	NPD7768	Phase 2
0.764	Intermediate Similarity	NPD4868	Clinical (unspecified phase)
0.7627	Intermediate Similarity	NPD7096	Clinical (unspecified phase)
0.7614	Intermediate Similarity	NPD7411	Suspended
0.7571	Intermediate Similarity	NPD1934	Approved
0.7554	Intermediate Similarity	NPD7228	Approved
0.7514	Intermediate Similarity	NPD5494	Approved
0.7513	Intermediate Similarity	NPD8055	Clinical (unspecified phase)
0.7486	Intermediate Similarity	NPD5402	Approved
0.7476	Intermediate Similarity	NPD8058	Clinical (unspecified phase)
0.7476	Intermediate Similarity	NPD8059	Phase 3
0.7474	Intermediate Similarity	NPD8434	Phase 2
0.7472	Intermediate Similarity	NPD6801	Discontinued
0.7471	Intermediate Similarity	NPD7410	Clinical (unspecified phase)
0.7471	Intermediate Similarity	NPD7004	Clinical (unspecified phase)
0.7442	Intermediate Similarity	NPD4628	Phase 3
0.7414	Intermediate Similarity	NPD7390	Discontinued
0.7403	Intermediate Similarity	NPD3749	Approved
0.74	Intermediate Similarity	NPD7211	Clinical (unspecified phase)
0.7394	Intermediate Similarity	NPD7685	Pre-registration
0.7384	Intermediate Similarity	NPD7421	Clinical (unspecified phase)
0.7371	Intermediate Similarity	NPD4378	Clinical (unspecified phase)
0.7366	Intermediate Similarity	NPD7177	Discontinued
0.736	Intermediate Similarity	NPD8285	Discontinued
0.7333	Intermediate Similarity	NPD1465	Phase 2
0.7333	Intermediate Similarity	NPD2801	Approved
0.7326	Intermediate Similarity	NPD1549	Phase 2
0.7302	Intermediate Similarity	NPD7240	Approved
0.7288	Intermediate Similarity	NPD5403	Approved
0.7283	Intermediate Similarity	NPD6674	Discontinued
0.7273	Intermediate Similarity	NPD2534	Approved
0.7273	Intermediate Similarity	NPD2533	Approved
0.7273	Intermediate Similarity	NPD7422	Clinical (unspecified phase)
0.7273	Intermediate Similarity	NPD2532	Approved
0.7267	Intermediate Similarity	NPD1550	Clinical (unspecified phase)
0.7267	Intermediate Similarity	NPD1552	Clinical (unspecified phase)
0.7263	Intermediate Similarity	NPD6599	Discontinued
0.7253	Intermediate Similarity	NPD3882	Suspended
0.7241	Intermediate Similarity	NPD7003	Approved
0.7209	Intermediate Similarity	NPD5406	Approved
0.7209	Intermediate Similarity	NPD5408	Approved
0.7209	Intermediate Similarity	NPD5405	Approved
0.7209	Intermediate Similarity	NPD5404	Approved
0.7198	Intermediate Similarity	NPD3817	Phase 2
0.7192	Intermediate Similarity	NPD7584	Approved
0.7189	Intermediate Similarity	NPD7199	Phase 2
0.7182	Intermediate Similarity	NPD37	Approved
0.7175	Intermediate Similarity	NPD5401	Approved
0.7174	Intermediate Similarity	NPD6234	Discontinued
0.7168	Intermediate Similarity	NPD2344	Approved
0.7158	Intermediate Similarity	NPD4965	Approved
0.7158	Intermediate Similarity	NPD4967	Phase 2
0.7158	Intermediate Similarity	NPD4966	Approved
0.7151	Intermediate Similarity	NPD1509	Clinical (unspecified phase)
0.7143	Intermediate Similarity	NPD1878	Clinical (unspecified phase)
0.7119	Intermediate Similarity	NPD6799	Approved
0.7119	Intermediate Similarity	NPD1511	Approved
0.7115	Intermediate Similarity	NPD7930	Approved
0.711	Intermediate Similarity	NPD2796	Approved
0.711	Intermediate Similarity	NPD2935	Discontinued
0.7108	Intermediate Similarity	NPD1470	Approved
0.7101	Intermediate Similarity	NPD2313	Discontinued
0.709	Intermediate Similarity	NPD7893	Clinical (unspecified phase)
0.7085	Intermediate Similarity	NPD8090	Clinical (unspecified phase)
0.7069	Intermediate Similarity	NPD7266	Discontinued
0.7052	Intermediate Similarity	NPD2799	Discontinued
0.7052	Intermediate Similarity	NPD1510	Phase 2
0.7045	Intermediate Similarity	NPD3750	Approved
0.7039	Intermediate Similarity	NPD1512	Approved
0.7039	Intermediate Similarity	NPD6273	Approved
0.7035	Intermediate Similarity	NPD1607	Approved
0.7022	Intermediate Similarity	NPD6143	Clinical (unspecified phase)
0.7021	Intermediate Similarity	NPD7184	Clinical (unspecified phase)
0.7011	Intermediate Similarity	NPD6100	Approved
0.7011	Intermediate Similarity	NPD1551	Phase 2
0.7011	Intermediate Similarity	NPD6099	Approved
0.7006	Intermediate Similarity	NPD2309	Approved
0.7005	Intermediate Similarity	NPD8127	Discontinued
0.7	Intermediate Similarity	NPD6980	Clinical (unspecified phase)
0.6995	Remote Similarity	NPD6844	Discontinued
0.6994	Remote Similarity	NPD7097	Phase 1
0.6976	Remote Similarity	NPD7999	Approved
0.6971	Remote Similarity	NPD2343	Clinical (unspecified phase)
0.6964	Remote Similarity	NPD2798	Approved
0.6961	Remote Similarity	NPD7680	Approved
0.6949	Remote Similarity	NPD6398	Clinical (unspecified phase)
0.6932	Remote Similarity	NPD970	Clinical (unspecified phase)
0.6931	Remote Similarity	NPD3926	Phase 2
0.693	Remote Similarity	NPD5619	Clinical (unspecified phase)
0.6919	Remote Similarity	NPD1240	Approved
0.6911	Remote Similarity	NPD7799	Discontinued
0.6897	Remote Similarity	NPD7501	Clinical (unspecified phase)
0.6893	Remote Similarity	NPD5698	Clinical (unspecified phase)
0.6891	Remote Similarity	NPD5953	Discontinued
0.6882	Remote Similarity	NPD6832	Phase 2
0.6879	Remote Similarity	NPD1933	Approved
0.6878	Remote Similarity	NPD7229	Phase 3
0.6878	Remote Similarity	NPD5710	Approved
0.6878	Remote Similarity	NPD5711	Approved
0.6867	Remote Similarity	NPD1547	Clinical (unspecified phase)
0.6867	Remote Similarity	NPD1201	Approved
0.6865	Remote Similarity	NPD5760	Phase 2
0.6865	Remote Similarity	NPD5761	Phase 2
0.6857	Remote Similarity	NPD7033	Discontinued
0.6847	Remote Similarity	NPD7237	Clinical (unspecified phase)
0.6842	Remote Similarity	NPD4625	Phase 3
0.6827	Remote Similarity	NPD7585	Approved
0.6813	Remote Similarity	NPD920	Approved
0.6798	Remote Similarity	NPD2800	Approved
0.6788	Remote Similarity	NPD7286	Phase 2
0.6782	Remote Similarity	NPD447	Suspended
0.678	Remote Similarity	NPD1471	Phase 3
0.6779	Remote Similarity	NPD7583	Approved
0.6776	Remote Similarity	NPD1653	Approved
0.6766	Remote Similarity	NPD1091	Approved
0.6761	Remote Similarity	NPD3748	Approved
0.676	Remote Similarity	NPD8166	Discontinued
0.6744	Remote Similarity	NPD5952	Clinical (unspecified phase)
0.6737	Remote Similarity	NPD1247	Approved
0.6729	Remote Similarity	NPD8404	Phase 2
0.6724	Remote Similarity	NPD4060	Phase 1
0.6723	Remote Similarity	NPD2438	Suspended
0.6722	Remote Similarity	NPD6190	Approved
0.672	Remote Similarity	NPD919	Approved
0.6706	Remote Similarity	NPD1203	Approved
0.6705	Remote Similarity	NPD4907	Clinical (unspecified phase)
0.6705	Remote Similarity	NPD1699	Clinical (unspecified phase)
0.6705	Remote Similarity	NPD7985	Registered
0.6705	Remote Similarity	NPD6798	Discontinued
0.6705	Remote Similarity	NPD3764	Approved
0.6703	Remote Similarity	NPD642	Clinical (unspecified phase)
0.6686	Remote Similarity	NPD1899	Clinical (unspecified phase)

Structure

CID85316 OpenBabel06191715422D 75 84 0 0 1 0 0 0 0 0999 V2000 -0.8660 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5885 -7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1962 -7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3923 -10.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -10.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6603 -9.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4641 -6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5981 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5981 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8564 -9.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 -9.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9904 -8.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 -8.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0622 -7.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3923 -7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7224 -7.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3301 -7.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3923 -9.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0000 -9.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7942 -8.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.5981 -5.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.7321 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7224 -8.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0000 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9282 -7.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8660 -5.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3301 -8.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8660 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2583 -7.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8660 -7.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.9904 -7.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5981 -7.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0622 -8.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7321 -4.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5263 -7.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8660 -7.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8660 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2583 -8.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8660 -8.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.7321 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7942 -7.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.7321 -6.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.5885 -9.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9282 -6.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -6.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1244 -9.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 -9.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5981 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8564 -7.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 -7.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5263 -8.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 -8.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9282 -9.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5981 -4.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1962 -9.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1244 -7.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 -7.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6603 -7.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 -7.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 9 31 1 0 0 0 0 10 38 2 0 0 0 0 11 12 2 0 0 0 0 11 30 1 0 0 0 0 12 32 1 0 0 0 0 13 15 1 0 0 0 0 13 33 1 0 0 0 0 14 16 1 0 0 0 0 14 37 1 0 0 0 0 15 41 1 0 0 0 0 16 42 1 0 0 0 0 17 23 2 0 0 0 0 17 30 1 0 0 0 0 18 23 1 0 0 0 0 18 34 2 0 0 0 0 19 35 1 0 0 0 0 19 43 1 0 0 0 0 20 36 1 0 0 0 0 20 44 1 0 0 0 0 21 39 1 0 0 0 0 21 45 1 0 0 0 0 22 40 1 0 0 0 0 22 46 1 0 0 0 0 24 2 1 1 0 0 0 24 33 1 0 0 0 0 24 64 1 0 0 0 0 25 3 1 1 0 0 0 25 37 1 0 0 0 0 25 65 1 0 0 0 0 26 4 1 1 0 0 0 26 50 1 0 0 0 0 26 66 1 0 0 0 0 27 5 1 1 0 0 0 27 51 1 0 0 0 0 27 67 1 0 0 0 0 28 6 1 1 0 0 0 28 54 1 0 0 0 0 28 68 1 0 0 0 0 29 7 1 1 0 0 0 29 55 1 0 0 0 0 29 69 1 0 0 0 0 30 47 2 0 0 0 0 31 48 2 0 0 0 0 31 53 1 0 0 0 0 32 49 2 0 0 0 0 32 52 1 0 0 0 0 33 56 1 1 0 0 0 34 47 1 0 0 0 0 34 57 1 0 0 0 0 35 54 1 0 0 0 0 35 58 1 1 0 0 0 36 55 1 0 0 0 0 36 59 1 1 0 0 0 37 70 1 1 0 0 0 38 48 1 0 0 0 0 38 71 1 0 0 0 0 39 50 1 0 0 0 0 39 72 1 1 0 0 0 40 51 1 0 0 0 0 40 73 1 1 0 0 0 41 64 1 0 0 0 0 41 72 1 6 0 0 0 42 65 1 0 0 0 0 42 73 1 6 0 0 0 43 68 1 0 0 0 0 43 70 1 1 0 0 0 44 69 1 0 0 0 0 44 71 1 1 0 0 0 45 66 1 0 0 0 0 45 74 1 1 0 0 0 46 67 1 0 0 0 0 46 75 1 1 0 0 0 47 49 1 0 0 0 0 48 52 1 0 0 0 0 49 53 1 0 0 0 0 50 60 1 6 0 0 0 51 61 1 6 0 0 0 52 62 2 0 0 0 0 53 63 2 0 0 0 0 54 74 1 6 0 0 0 55 75 1 6 0 0 0 M END $$$$

External Identifiers

PubChem CID	50993664
ChEMBL	CHEMBL1668763
ZINC

Physicochemical Properties

Molecular Weight:	1052.46
ALogP:	-6.506
MLogP:	5.31
XLogP:	3.743
# Rotatable Bonds:	25
Polar Surface Area:	266.28
# H-Bond Aceptor:	18
# H-Bond Donor:	6
# Rings:	10
# Heavy Atoms:	75

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