NPASS Natural Product

Natural Product: NPC191606

Natural Product ID:	NPC191606
Common Name:	Neobulgarone G
IUPAC Name:	(10S)-4-chloro-10-[(9S)-1-chloro-2,4-dihydroxy-7-(hydroxymethyl)-5-methoxy-10-oxo-9H-anthracen-9-yl]-1,3-dihydroxy-8-methoxy-6-methyl-10H-anthracen-9-one
Synonyms:	Neobulgarone G
Molecular Formula:	C32H24Cl2O9
Standard InCHIKey:	MQMWBFUKNWTRJV-DNQXCXABSA-N
Standard InCHI:	InChI=1S/C32H24Cl2O9/c1-11-4-13-21(19(5-11)42-2)31(40)25-15(36)8-17(38)29(33)27(25)23(13)24-14-6-12(10-35)7-20(43-3)22(14)32(41)26-16(37)9-18(39)30(34)28(24)26/h4-9,23-24,35-39H,10H2,1-3H3/t23-,24-/m1/s1
Canonical SMILES:	OCc1cc(OC)c2c(c1)[C@@H](c1c(C2=O)c(O)cc(c1Cl)O)[C@H]1c2cc(C)cc(c2C(=O)c2c1c(Cl)c(O)cc2O)OC
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
NPO30770	Penicillium sp.	Species	Aspergillaceae	Eukaryota	Limonium tubiflorum			PMID[21146414]

Biological Activity

Activity Type	# Activity
IC50	3
MIC	1

Activity Type	# Activity
Cell Line	2
Organism	1
Others	1

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT15	Cell Line	Jurkat	Homo sapiens	IC50	>	100000	nM	19053514
NPT2	Others	Unspecified		IC50	>	100000	nM	20034708
NPT471	Organism	Trypanosoma brucei brucei	Trypanosoma brucei brucei	MIC	>	100000	nM	19761234
NPT466	Cell Line	U-937	Homo sapiens	IC50	>	100000	nM	20687534

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 NPC191606 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	399
0.1-0.2	1570
0.2-0.3	3025
0.3-0.4	7680
0.4-0.5	5901
0.5-0.6	3960
0.6-0.7	5138
0.7-0.8	3103
0.8-0.85	102
0.85-0.9	8
0.9-0.95	2
0.95-1	1

Similarity Score	Similarity Level	Natural Product ID
0.9822	High Similarity	NPC151292
0.924	High Similarity	NPC474857
0.9133	High Similarity	NPC264922
0.896	High Similarity	NPC277865
0.8693	High Similarity	NPC470560
0.8652	High Similarity	NPC45072
0.8644	High Similarity	NPC470422
0.8636	High Similarity	NPC470565
0.8636	High Similarity	NPC470562
0.8579	High Similarity	NPC316091
0.8525	High Similarity	NPC474499
0.8497	Intermediate Similarity	NPC470342
0.8497	Intermediate Similarity	NPC472052
0.8497	Intermediate Similarity	NPC472060
0.8453	Intermediate Similarity	NPC306240
0.8409	Intermediate Similarity	NPC469664
0.8404	Intermediate Similarity	NPC313541
0.84	Intermediate Similarity	NPC470561
0.8378	Intermediate Similarity	NPC313386
0.8352	Intermediate Similarity	NPC470563
0.8343	Intermediate Similarity	NPC273467
0.8343	Intermediate Similarity	NPC189552
0.8333	Intermediate Similarity	NPC324736
0.8305	Intermediate Similarity	NPC68850
0.8295	Intermediate Similarity	NPC15374
0.8294	Intermediate Similarity	NPC477221
0.8286	Intermediate Similarity	NPC312993
0.8286	Intermediate Similarity	NPC186325
0.8239	Intermediate Similarity	NPC18380
0.8229	Intermediate Similarity	NPC177650
0.8229	Intermediate Similarity	NPC470559
0.8218	Intermediate Similarity	NPC280497
0.8212	Intermediate Similarity	NPC472032
0.8212	Intermediate Similarity	NPC105414
0.8212	Intermediate Similarity	NPC234497
0.8212	Intermediate Similarity	NPC470341
0.8212	Intermediate Similarity	NPC324522
0.8212	Intermediate Similarity	NPC472058
0.8201	Intermediate Similarity	NPC214901
0.8187	Intermediate Similarity	NPC477992
0.8187	Intermediate Similarity	NPC477568
0.8187	Intermediate Similarity	NPC477991
0.8182	Intermediate Similarity	NPC292863
0.8182	Intermediate Similarity	NPC184326
0.8177	Intermediate Similarity	NPC477836
0.8176	Intermediate Similarity	NPC290194
0.8171	Intermediate Similarity	NPC208258
0.8161	Intermediate Similarity	NPC226656
0.8161	Intermediate Similarity	NPC66508
0.8156	Intermediate Similarity	NPC477835
0.815	Intermediate Similarity	NPC43345
0.8148	Intermediate Similarity	NPC220369
0.8146	Intermediate Similarity	NPC290160
0.8146	Intermediate Similarity	NPC470081
0.814	Intermediate Similarity	NPC147735
0.8138	Intermediate Similarity	NPC470099
0.8138	Intermediate Similarity	NPC470100
0.8136	Intermediate Similarity	NPC312273
0.8136	Intermediate Similarity	NPC137232
0.8136	Intermediate Similarity	NPC301256
0.8125	Intermediate Similarity	NPC18699
0.8125	Intermediate Similarity	NPC55443
0.8125	Intermediate Similarity	NPC195167
0.8125	Intermediate Similarity	NPC154720
0.8118	Intermediate Similarity	NPC99937
0.8114	Intermediate Similarity	NPC470564
0.8103	Intermediate Similarity	NPC324447
0.8092	Intermediate Similarity	NPC476552
0.8092	Intermediate Similarity	NPC476553
0.8092	Intermediate Similarity	NPC476551
0.8092	Intermediate Similarity	NPC470569
0.809	Intermediate Similarity	NPC473012
0.809	Intermediate Similarity	NPC473696
0.809	Intermediate Similarity	NPC474096
0.8081	Intermediate Similarity	NPC329933
0.8079	Intermediate Similarity	NPC476506
0.807	Intermediate Similarity	NPC475348
0.807	Intermediate Similarity	NPC34802
0.807	Intermediate Similarity	NPC261271
0.8068	Intermediate Similarity	NPC475184
0.8068	Intermediate Similarity	NPC257166
0.8065	Intermediate Similarity	NPC473631
0.8065	Intermediate Similarity	NPC475662
0.8065	Intermediate Similarity	NPC473717
0.8065	Intermediate Similarity	NPC293227
0.8063	Intermediate Similarity	NPC48822
0.8057	Intermediate Similarity	NPC79375
0.8057	Intermediate Similarity	NPC37253
0.8056	Intermediate Similarity	NPC28669
0.8056	Intermediate Similarity	NPC251336
0.8056	Intermediate Similarity	NPC474061
0.8047	Intermediate Similarity	NPC174905
0.8047	Intermediate Similarity	NPC293545
0.8045	Intermediate Similarity	NPC473009
0.8035	Intermediate Similarity	NPC255641
0.8035	Intermediate Similarity	NPC290954
0.8035	Intermediate Similarity	NPC470568
0.8034	Intermediate Similarity	NPC298401
0.8034	Intermediate Similarity	NPC219686
0.8034	Intermediate Similarity	NPC472261
0.8023	Intermediate Similarity	NPC51760
0.8023	Intermediate Similarity	NPC105584
0.8023	Intermediate Similarity	NPC15815
0.8023	Intermediate Similarity	NPC51247
0.8023	Intermediate Similarity	NPC152233
0.8023	Intermediate Similarity	NPC228654
0.8023	Intermediate Similarity	NPC90497
0.8022	Intermediate Similarity	NPC474004
0.8021	Intermediate Similarity	NPC198163
0.8	Intermediate Similarity	NPC227841
0.8	Intermediate Similarity	NPC173352
0.8	Intermediate Similarity	NPC473010
0.8	Intermediate Similarity	NPC58653
0.7989	Intermediate Similarity	NPC149526
0.7989	Intermediate Similarity	NPC474417
0.7989	Intermediate Similarity	NPC245122
0.7989	Intermediate Similarity	NPC478148
0.7979	Intermediate Similarity	NPC473686
0.7979	Intermediate Similarity	NPC221140
0.7979	Intermediate Similarity	NPC229817
0.7979	Intermediate Similarity	NPC475352
0.7979	Intermediate Similarity	NPC475220
0.7978	Intermediate Similarity	NPC226462
0.7978	Intermediate Similarity	NPC42965
0.7978	Intermediate Similarity	NPC195136
0.7978	Intermediate Similarity	NPC98023
0.7967	Intermediate Similarity	NPC300307
0.7966	Intermediate Similarity	NPC472404
0.7966	Intermediate Similarity	NPC1796
0.7965	Intermediate Similarity	NPC190648
0.7965	Intermediate Similarity	NPC118027
0.7965	Intermediate Similarity	NPC126767
0.7965	Intermediate Similarity	NPC312929
0.7965	Intermediate Similarity	NPC289042
0.7965	Intermediate Similarity	NPC56433
0.7965	Intermediate Similarity	NPC245584
0.7965	Intermediate Similarity	NPC477569
0.7958	Intermediate Similarity	NPC221185
0.7957	Intermediate Similarity	NPC471801
0.7956	Intermediate Similarity	NPC30027
0.7955	Intermediate Similarity	NPC14606
0.7955	Intermediate Similarity	NPC186227
0.7955	Intermediate Similarity	NPC121649
0.7955	Intermediate Similarity	NPC100049
0.7955	Intermediate Similarity	NPC150908
0.7955	Intermediate Similarity	NPC159707
0.7955	Intermediate Similarity	NPC52611
0.7955	Intermediate Similarity	NPC265624
0.7955	Intermediate Similarity	NPC158027
0.7955	Intermediate Similarity	NPC248739
0.7955	Intermediate Similarity	NPC215203
0.7955	Intermediate Similarity	NPC254351
0.7955	Intermediate Similarity	NPC68727
0.7955	Intermediate Similarity	NPC205026
0.7953	Intermediate Similarity	NPC282957
0.7953	Intermediate Similarity	NPC194949
0.7944	Intermediate Similarity	NPC476505
0.7943	Intermediate Similarity	NPC154683
0.7943	Intermediate Similarity	NPC470338
0.7943	Intermediate Similarity	NPC87708
0.7943	Intermediate Similarity	NPC113608
0.7943	Intermediate Similarity	NPC51824
0.7943	Intermediate Similarity	NPC470337
0.7943	Intermediate Similarity	NPC268992
0.7943	Intermediate Similarity	NPC40356
0.7941	Intermediate Similarity	NPC84266
0.7941	Intermediate Similarity	NPC295712
0.7941	Intermediate Similarity	NPC451542
0.7941	Intermediate Similarity	NPC313047
0.7941	Intermediate Similarity	NPC474203
0.7935	Intermediate Similarity	NPC470333
0.7931	Intermediate Similarity	NPC202595
0.7931	Intermediate Similarity	NPC294646
0.7921	Intermediate Similarity	NPC472617
0.7917	Intermediate Similarity	NPC247104
0.7912	Intermediate Similarity	NPC286230
0.7912	Intermediate Similarity	NPC253730
0.791	Intermediate Similarity	NPC56049
0.791	Intermediate Similarity	NPC69531
0.791	Intermediate Similarity	NPC54830
0.791	Intermediate Similarity	NPC146211
0.791	Intermediate Similarity	NPC32867
0.7901	Intermediate Similarity	NPC169471
0.7901	Intermediate Similarity	NPC472051
0.7901	Intermediate Similarity	NPC472057
0.7898	Intermediate Similarity	NPC329844
0.7898	Intermediate Similarity	NPC290830
0.7898	Intermediate Similarity	NPC71061
0.7898	Intermediate Similarity	NPC121568
0.7898	Intermediate Similarity	NPC303485
0.7898	Intermediate Similarity	NPC72425
0.7898	Intermediate Similarity	NPC194593
0.7897	Intermediate Similarity	NPC108744
0.7892	Intermediate Similarity	NPC300657
0.7889	Intermediate Similarity	NPC472059
0.7889	Intermediate Similarity	NPC473011
0.7886	Intermediate Similarity	NPC72958
0.7886	Intermediate Similarity	NPC232645
0.7884	Intermediate Similarity	NPC470103
0.7882	Intermediate Similarity	NPC94076

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC191606 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	386
0.1-0.2	1084
0.2-0.3	1717
0.3-0.4	2849
0.4-0.5	1963
0.5-0.6	864
0.6-0.7	235
0.7-0.8	61
0.8-0.85	2
0.85-0.9	0
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.8239	Intermediate Similarity	NPD6959	Discontinued
0.8	Intermediate Similarity	NPD7390	Discontinued
0.776	Intermediate Similarity	NPD7473	Discontinued
0.7753	Intermediate Similarity	NPD8443	Clinical (unspecified phase)
0.7692	Intermediate Similarity	NPD6232	Discontinued
0.7609	Intermediate Similarity	NPD7852	Clinical (unspecified phase)
0.7598	Intermediate Similarity	NPD7819	Suspended
0.7528	Intermediate Similarity	NPD4380	Phase 2
0.7487	Intermediate Similarity	NPD4363	Phase 3
0.7487	Intermediate Similarity	NPD4360	Phase 2
0.7459	Intermediate Similarity	NPD8438	Clinical (unspecified phase)
0.7443	Intermediate Similarity	NPD4378	Clinical (unspecified phase)
0.7443	Intermediate Similarity	NPD2534	Approved
0.7443	Intermediate Similarity	NPD2533	Approved
0.7443	Intermediate Similarity	NPD2532	Approved
0.7443	Intermediate Similarity	NPD7410	Clinical (unspecified phase)
0.7419	Intermediate Similarity	NPD6167	Clinical (unspecified phase)
0.7419	Intermediate Similarity	NPD6166	Phase 2
0.7419	Intermediate Similarity	NPD6168	Clinical (unspecified phase)
0.7419	Intermediate Similarity	NPD2403	Approved
0.7418	Intermediate Similarity	NPD7768	Phase 2
0.7403	Intermediate Similarity	NPD2393	Clinical (unspecified phase)
0.7389	Intermediate Similarity	NPD7411	Suspended
0.7382	Intermediate Similarity	NPD8313	Approved
0.7382	Intermediate Similarity	NPD8312	Approved
0.7326	Intermediate Similarity	NPD1510	Phase 2
0.7326	Intermediate Similarity	NPD1509	Clinical (unspecified phase)
0.731	Intermediate Similarity	NPD1607	Approved
0.7302	Intermediate Similarity	NPD5844	Phase 1
0.7299	Intermediate Similarity	NPD970	Clinical (unspecified phase)
0.7296	Intermediate Similarity	NPD7879	Clinical (unspecified phase)
0.7282	Intermediate Similarity	NPD8397	Clinical (unspecified phase)
0.7273	Intermediate Similarity	NPD4361	Phase 2
0.7273	Intermediate Similarity	NPD4362	Clinical (unspecified phase)
0.7211	Intermediate Similarity	NPD7804	Clinical (unspecified phase)
0.7193	Intermediate Similarity	NPD1240	Approved
0.7184	Intermediate Similarity	NPD8151	Discontinued
0.7158	Intermediate Similarity	NPD1934	Approved
0.7151	Intermediate Similarity	NPD7422	Clinical (unspecified phase)
0.7143	Intermediate Similarity	NPD1552	Clinical (unspecified phase)
0.7143	Intermediate Similarity	NPD1550	Clinical (unspecified phase)
0.7135	Intermediate Similarity	NPD7993	Clinical (unspecified phase)
0.7119	Intermediate Similarity	NPD7003	Approved
0.7102	Intermediate Similarity	NPD1549	Phase 2
0.7098	Intermediate Similarity	NPD6559	Discontinued
0.7097	Intermediate Similarity	NPD4381	Clinical (unspecified phase)
0.7097	Intermediate Similarity	NPD3749	Approved
0.7097	Intermediate Similarity	NPD7075	Discontinued
0.7088	Intermediate Similarity	NPD3226	Approved
0.7086	Intermediate Similarity	NPD5405	Approved
0.7086	Intermediate Similarity	NPD5404	Approved
0.7086	Intermediate Similarity	NPD5408	Approved
0.7086	Intermediate Similarity	NPD5406	Approved
0.7083	Intermediate Similarity	NPD7074	Phase 3
0.7073	Intermediate Similarity	NPD7871	Phase 2
0.7073	Intermediate Similarity	NPD7870	Phase 2
0.7043	Intermediate Similarity	NPD4868	Clinical (unspecified phase)
0.7033	Intermediate Similarity	NPD2370	Clinical (unspecified phase)
0.7031	Intermediate Similarity	NPD7054	Approved
0.7027	Intermediate Similarity	NPD2801	Approved
0.7021	Intermediate Similarity	NPD5494	Approved
0.7011	Intermediate Similarity	NPD6651	Approved
0.7	Intermediate Similarity	NPD1511	Approved
0.6995	Remote Similarity	NPD7458	Discontinued
0.6995	Remote Similarity	NPD7472	Approved
0.6989	Remote Similarity	NPD2796	Approved
0.6989	Remote Similarity	NPD2935	Discontinued
0.6974	Remote Similarity	NPD7808	Phase 3
0.6973	Remote Similarity	NPD6801	Discontinued
0.6961	Remote Similarity	NPD6777	Approved
0.6961	Remote Similarity	NPD6776	Approved
0.6961	Remote Similarity	NPD6779	Approved
0.6961	Remote Similarity	NPD6781	Approved
0.6961	Remote Similarity	NPD6778	Approved
0.6961	Remote Similarity	NPD6782	Approved
0.6961	Remote Similarity	NPD6780	Approved
0.6959	Remote Similarity	NPD6797	Phase 2
0.6947	Remote Similarity	NPD5711	Approved
0.6947	Remote Similarity	NPD5710	Approved
0.6942	Remote Similarity	NPD7698	Approved
0.6942	Remote Similarity	NPD7697	Approved
0.6942	Remote Similarity	NPD7696	Phase 3
0.6935	Remote Similarity	NPD7096	Clinical (unspecified phase)
0.6927	Remote Similarity	NPD3750	Approved
0.6923	Remote Similarity	NPD1512	Approved
0.6923	Remote Similarity	NPD7251	Discontinued
0.6919	Remote Similarity	NPD8150	Discontinued
0.6906	Remote Similarity	NPD7040	Clinical (unspecified phase)
0.6906	Remote Similarity	NPD7041	Phase 2
0.6902	Remote Similarity	NPD5808	Clinical (unspecified phase)
0.6898	Remote Similarity	NPD3817	Phase 2
0.6893	Remote Similarity	NPD6099	Approved
0.6893	Remote Similarity	NPD6100	Approved
0.6891	Remote Similarity	NPD3818	Discontinued
0.6882	Remote Similarity	NPD37	Approved
0.6872	Remote Similarity	NPD2800	Approved
0.6872	Remote Similarity	NPD7421	Clinical (unspecified phase)
0.6865	Remote Similarity	NPD6599	Discontinued
0.6862	Remote Similarity	NPD3882	Suspended
0.686	Remote Similarity	NPD7435	Discontinued
0.681	Remote Similarity	NPD7701	Phase 2
0.6802	Remote Similarity	NPD4419	Clinical (unspecified phase)
0.6792	Remote Similarity	NPD7801	Approved
0.6782	Remote Similarity	NPD4907	Clinical (unspecified phase)
0.6776	Remote Similarity	NPD7004	Clinical (unspecified phase)
0.6772	Remote Similarity	NPD4966	Approved
0.6772	Remote Similarity	NPD4967	Phase 2
0.6772	Remote Similarity	NPD4965	Approved
0.676	Remote Similarity	NPD2346	Discontinued
0.6745	Remote Similarity	NPD7874	Approved
0.6745	Remote Similarity	NPD7875	Clinical (unspecified phase)
0.6731	Remote Similarity	NPD6823	Phase 2
0.6721	Remote Similarity	NPD6799	Approved
0.672	Remote Similarity	NPD5402	Approved
0.6718	Remote Similarity	NPD7177	Discontinued
0.6718	Remote Similarity	NPD7228	Approved
0.6717	Remote Similarity	NPD4338	Clinical (unspecified phase)
0.6716	Remote Similarity	NPD6534	Approved
0.6716	Remote Similarity	NPD6535	Approved
0.6714	Remote Similarity	NPD7782	Clinical (unspecified phase)
0.6714	Remote Similarity	NPD7783	Phase 2
0.6704	Remote Similarity	NPD1551	Phase 2
0.6702	Remote Similarity	NPD6234	Discontinued
0.6699	Remote Similarity	NPD7699	Phase 2
0.6699	Remote Similarity	NPD7700	Phase 2
0.6684	Remote Similarity	NPD7229	Phase 3
0.6667	Remote Similarity	NPD8319	Approved
0.6667	Remote Similarity	NPD4908	Phase 1
0.6667	Remote Similarity	NPD1465	Phase 2
0.6667	Remote Similarity	NPD8320	Phase 1
0.6648	Remote Similarity	NPD6398	Clinical (unspecified phase)
0.6648	Remote Similarity	NPD3748	Approved
0.6648	Remote Similarity	NPD1878	Clinical (unspecified phase)
0.6647	Remote Similarity	NPD1201	Approved
0.6632	Remote Similarity	NPD7199	Phase 2
0.6632	Remote Similarity	NPD2379	Clinical (unspecified phase)
0.6616	Remote Similarity	NPD5953	Discontinued
0.6615	Remote Similarity	NPD5822	Clinical (unspecified phase)
0.6613	Remote Similarity	NPD5403	Approved
0.6613	Remote Similarity	NPD6980	Clinical (unspecified phase)
0.6598	Remote Similarity	NPD3787	Discontinued
0.6595	Remote Similarity	NPD1578	Phase 2
0.6591	Remote Similarity	NPD8155	Clinical (unspecified phase)
0.659	Remote Similarity	NPD1470	Approved
0.6579	Remote Similarity	NPD8455	Phase 2
0.657	Remote Similarity	NPD8090	Clinical (unspecified phase)
0.6562	Remote Similarity	NPD7654	Discontinued
0.6559	Remote Similarity	NPD6273	Approved
0.6557	Remote Similarity	NPD4628	Phase 3
0.6556	Remote Similarity	NPD2799	Discontinued
0.6555	Remote Similarity	NPD4914	Approved
0.6548	Remote Similarity	NPD3751	Discontinued
0.6535	Remote Similarity	NPD8055	Clinical (unspecified phase)
0.6534	Remote Similarity	NPD4625	Phase 3
0.6524	Remote Similarity	NPD920	Approved
0.6517	Remote Similarity	NPD943	Approved
0.6515	Remote Similarity	NPD7286	Phase 2
0.6505	Remote Similarity	NPD5401	Approved
0.6505	Remote Similarity	NPD6214	Clinical (unspecified phase)
0.6505	Remote Similarity	NPD6213	Phase 3
0.6505	Remote Similarity	NPD6212	Phase 3
0.6503	Remote Similarity	NPD1243	Approved
0.6497	Remote Similarity	NPD6859	Clinical (unspecified phase)
0.6484	Remote Similarity	NPD2344	Approved
0.648	Remote Similarity	NPD7184	Clinical (unspecified phase)
0.648	Remote Similarity	NPD3926	Phase 2
0.6476	Remote Similarity	NPD7501	Clinical (unspecified phase)
0.6457	Remote Similarity	NPD6917	Clinical (unspecified phase)
0.6457	Remote Similarity	NPD2798	Approved
0.6437	Remote Similarity	NPD1283	Approved
0.6429	Remote Similarity	NPD5544	Approved
0.6422	Remote Similarity	NPD8434	Phase 2
0.6418	Remote Similarity	NPD7240	Approved
0.6417	Remote Similarity	NPD642	Clinical (unspecified phase)
0.6415	Remote Similarity	NPD4387	Approved
0.6415	Remote Similarity	NPD4386	Approved
0.6411	Remote Similarity	NPD4915	Approved
0.6409	Remote Similarity	NPD4536	Approved
0.6409	Remote Similarity	NPD4537	Clinical (unspecified phase)
0.6409	Remote Similarity	NPD4538	Approved
0.6404	Remote Similarity	NPD6410	Clinical (unspecified phase)
0.6398	Remote Similarity	NPD643	Clinical (unspecified phase)
0.6387	Remote Similarity	NPD958	Approved
0.6378	Remote Similarity	NPD1247	Approved
0.6378	Remote Similarity	NPD8166	Discontinued
0.6374	Remote Similarity	NPD1651	Approved
0.6374	Remote Similarity	NPD651	Clinical (unspecified phase)
0.6373	Remote Similarity	NPD6785	Approved
0.6373	Remote Similarity	NPD6784	Approved
0.6359	Remote Similarity	NPD4287	Approved
0.6359	Remote Similarity	NPD919	Approved
0.6344	Remote Similarity	NPD2309	Approved
0.6337	Remote Similarity	NPD3303	Discontinued
0.6333	Remote Similarity	NPD4388	Approved
0.6333	Remote Similarity	NPD2979	Phase 3
0.6326	Remote Similarity	NPD7211	Clinical (unspecified phase)
0.6324	Remote Similarity	NPD2654	Approved
0.6322	Remote Similarity	NPD3972	Approved
0.6321	Remote Similarity	NPD5760	Phase 2
0.6321	Remote Similarity	NPD5761	Phase 2

Structure

NPC191606 OpenBabel07101718232D 43 48 0 0 1 0 0 0 0 0999 V2000 -2.5451 -0.4898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0901 1.9592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0901 1.9592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6967 0.9796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3934 0.9796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6967 2.9388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3934 2.9388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8484 5.3878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8484 -1.4694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5451 4.4082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5451 0.4898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5451 3.4286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6967 1.9592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6967 1.9592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6967 4.8980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6967 -0.9796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.8980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -0.9796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3934 1.9592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3934 1.9592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5451 2.4490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5451 1.4694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8484 2.4490 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8484 1.4694 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.6967 3.9184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6967 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8484 3.4286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8484 0.4898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.9184 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 -2.5451 3.4286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5451 0.4898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8484 3.4286 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.8484 0.4898 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.3934 4.8980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5451 5.3878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5451 -1.4694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8484 5.3878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8484 -1.4694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3934 3.9184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3934 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2418 2.4490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2418 1.4694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 2 42 1 0 0 0 0 3 43 1 0 0 0 0 4 11 2 0 0 0 0 4 13 1 0 0 0 0 5 11 1 0 0 0 0 5 19 2 0 0 0 0 6 12 2 0 0 0 0 6 14 1 0 0 0 0 7 12 1 0 0 0 0 7 20 2 0 0 0 0 8 15 2 0 0 0 0 8 17 1 0 0 0 0 9 16 2 0 0 0 0 9 18 1 0 0 0 0 10 12 1 0 0 0 0 10 35 1 0 0 0 0 13 21 2 0 0 0 0 14 22 2 0 0 0 0 15 25 1 0 0 0 0 15 36 1 0 0 0 0 16 26 1 0 0 0 0 16 37 1 0 0 0 0 17 29 2 0 0 0 0 17 38 1 0 0 0 0 18 30 2 0 0 0 0 18 39 1 0 0 0 0 19 21 1 0 0 0 0 19 42 1 0 0 0 0 20 22 1 0 0 0 0 20 43 1 0 0 0 0 21 31 1 0 0 0 0 22 32 1 0 0 0 0 23 13 1 1 0 0 0 23 24 1 0 0 0 0 23 27 1 0 0 0 0 24 14 1 1 0 0 0 24 28 1 0 0 0 0 25 27 2 0 0 0 0 25 31 1 0 0 0 0 26 28 2 0 0 0 0 26 32 1 0 0 0 0 27 29 1 0 0 0 0 28 30 1 0 0 0 0 29 33 1 0 0 0 0 30 34 1 0 0 0 0 31 40 2 0 0 0 0 32 41 2 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	53317590
ChEMBL	CHEMBL1643636
ZINC

Physicochemical Properties

Molecular Weight:	622.08
ALogP:	-0.7935
MLogP:	3.77
XLogP:	2.378
# Rotatable Bonds:	14
Polar Surface Area:	153.75
# H-Bond Aceptor:	3
# H-Bond Donor:	5
# Rings:	6
# Heavy Atoms:	43

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