NPASS Natural Product

Natural Product: NPC97578

Natural Product ID:	NPC97578
Common Name:	Pallidol
IUPAC Name:	(4bR,5R,9bR,10R)-5,10-bis(4-hydroxyphenyl)-4b,5,9b,10-tetrahydroindeno[2,1-a]indene-1,3,6,8-tetrol
Synonyms:	(+/-)-Pallidol; Pallidol; Rel-Pallidol
Molecular Formula:	C28H22O6
Standard InCHIKey:	YNVJOQCPHWKWSO-ZBVBGGFBSA-N
Standard InCHI:	InChI=1S/C28H22O6/c29-15-5-1-13(2-6-15)23-25-19(9-17(31)11-21(25)33)28-24(14-3-7-16(30)8-4-14)26-20(27(23)28)10-18(32)12-22(26)34/h1-12,23-24,27-34H/t23-,24-,27+,28+/m1/s1
Canonical SMILES:	Oc1cc(O)c2c(c1)[C@@H]1[C@H]([C@@H]2c2ccc(cc2)O)c2c([C@H]1c1ccc(cc1)O)c(O)cc(c2)O
First Find Year:
Max Developmental Stage:
Synthetic Gene Cluster:	;

Species Source

Organism ID	Organism Name	Taxonomy Level	Family	SuperKingdom	Isolation Part	Collection Location	Reference
NPO8506	Cotyledon secunda	Species	Crassulaceae	Eukaryota			UNPD*
NPO12703	Eucalyptus melliodora	Species	Myrtaceae	Eukaryota			UNPD*
NPO6881	Caragana aurantiaca	Species	Fabaceae	Eukaryota			UNPD*
NPO2507	Rumex maritimus	Species	Polygonaceae	Eukaryota			UNPD*
NPO17702	Astragalus sempervirens	Species	Fabaceae	Eukaryota			UNPD*
NPO11641	Solanum laxum	Species	Solanaceae	Eukaryota			UNPD*
NPO10989	Annona cornifolia	Species	Annonaceae	Eukaryota			UNPD*
NPO13407	Goniothalamus malayanus	Species	Annonaceae	Eukaryota			UNPD*
NPO17024	Vitis vinifera	Species	Vitaceae	Eukaryota			UNPD*
NPO11538	Salvia syriaca	Species	Lamiaceae	Eukaryota			UNPD*
NPO26327	Chaenomeles sinensis	Species	Rosaceae	Eukaryota			UNPD*
NPO15467	Hedysarum connatum	Species	Fabaceae	Eukaryota			UNPD*
NPO17633	Viguiera incana	Species	Asteraceae	Eukaryota			UNPD*
NPO4181	Pseudoalteromonas luteoviolacea	Species	Pseudoalteromonadaceae	Bacteria			UNPD*
NPO6160	Vaccinium oxycoccos	Species	Ericaceae	Eukaryota			UNPD*
NPO14859	Bishovia boliviensis	NA	NA	NA			UNPD*
NPO13642	Pastinaca sativa	Species	Apiaceae	Eukaryota			UNPD*
NPO17544	Acacia adunca	Species	Fabaceae	Eukaryota			UNPD*
NPO16493	Nasutitermes ephratae	Species	Termitoidae	Eukaryota			UNPD*
NPO16611	Alstonia spathulata	Species	Apocynaceae	Eukaryota			UNPD*
NPO3964	Calostephane divaricata	Species	Asteraceae	Eukaryota			UNPD*
NPO28914	Caragana sinica	Species	Fabaceae	Eukaryota			TM-MC*
NPO17242	Laurencia spectabilis	Species	Rhodomelaceae	Eukaryota			UNPD*
NPO17169	Adiantum lunulatum	Species	Pteridaceae	Eukaryota			UNPD*
NPO15227	Helipterum roseum	Species	Asteraceae	Eukaryota			UNPD*
NPO10417	Ipomoea digitata	Species	Convolvulaceae	Eukaryota			UNPD*
NPO21724	Sabina sargentii	NA	NA	NA			UNPD*
NPO947	Rauvolfia vomitoria	Species	Apocynaceae	Eukaryota			UNPD*
NPO4325	Blastochloris viridis	Species	Hyphomicrobiaceae	Bacteria			UNPD*
NPO15659	Zanthoxylum tetraspermum	Species	Rutaceae	Eukaryota			UNPD*
NPO13847	Streptomyces avermitilis	Species	Streptomycetaceae	Bacteria			UNPD*
NPO14685	Swertia franchetiana	Species	Gentianaceae	Eukaryota			UNPD*
NPO17942	Wikstroemia retusa	Species	Thymelaeaceae	Eukaryota			UNPD*
NPO15063	Leathesia nana	Species	Chordariaceae	Eukaryota			UNPD*
NPO15803	Artemisia assoana	Species	Asteraceae	Eukaryota			UNPD*
NPO17786	Marrubium anisodon	Species	Lamiaceae	Eukaryota			UNPD*
NPO11917	Asterospicularia laurae	Species	Xeniidae	Eukaryota			UNPD*
NPO15552	Anacystis montana	NA	NA	NA			UNPD*
NPO16369	Lepisorus ussuriensis	Species	Polypodiaceae	Eukaryota			UNPD*
NPO17400	Peltostigma guatemalense	Species	Rutaceae	Eukaryota			UNPD*
NPO16731	Phoebe pittieri	Species	Lauraceae	Eukaryota			UNPD*
NPO16089	Dumortiera hirsuta	Species	Dumortieraceae	Eukaryota			UNPD*
NPO18022	Naucleopsis ternstroemiiflora	Species	Moraceae	Eukaryota			UNPD*
NPO16857	Hypericum laricifolium	Species	Hypericaceae	Eukaryota			UNPD*
NPO17865	Amathia pinnata	Species	Vesiculariidae	Eukaryota			UNPD*
NPO17472	Drechslera avenae	Species	Pleosporaceae	Eukaryota			UNPD*
NPO17094	Sinularia depressa	Species	Alcyoniidae	Eukaryota			UNPD*
NPO14395	Lysimachia mauritiana	Species	Primulaceae	Eukaryota			UNPD*
NPO7562	Premna odorata	Species	Lamiaceae	Eukaryota			UNPD*
NPO28914	Caragana sinica	Species	Fabaceae	Eukaryota			PMID[22209460]
NPO9516	Gnetum latifolium	Species	Gnetaceae	Eukaryota			UNPD*
NPO20471	Sophora alopecuroides	Species	Fabaceae	Eukaryota	Root barks	Mongolia	PMID[26073007]
NPO13167	Scutellaria amoena	Species	Lamiaceae	Eukaryota			UNPD*

Biological Activity

Activity Type	# Activity
IC50	7
Others	6

Activity Type	# Activity
Cell Line	4
Individual Protein	6
Others	3

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT404	Cell Line	CCRF-CEM	Homo sapiens	IC50	=	32000	nM	10650073
NPT30	Individual Protein	Cyclooxygenase-1	Homo sapiens	IC50	=	50000	nM	11170689
NPT31	Individual Protein	Cyclooxygenase-2	Homo sapiens	IC50	=	80000	nM	11170689
NPT1	Others	Radical scavenging activity		IC50	=	165300	nM	22209460
NPT2	Others	Unspecified		IC50	=	128500	nM	22209460
NPT2	Others	Unspecified		Inhibition	=	72.4	%	23353752
NPT113	Cell Line	RAW264.7	Mus musculus	IC50	>	200000	nM	23791078
NPT113	Cell Line	RAW264.7	Mus musculus	Inhibition	=	89.29	%	23791078
NPT113	Cell Line	RAW264.7	Mus musculus	IC50	>	50000	nM	26073007
NPT108	Individual Protein	Estrogen receptor alpha	Homo sapiens	FC	=	1.01		26241875
NPT108	Individual Protein	Estrogen receptor alpha	Homo sapiens	Activity	=	5.23	%	26241875
NPT248	Individual Protein	Estrogen receptor beta	Homo sapiens	FC	=	2.5		26241875
NPT248	Individual Protein	Estrogen receptor beta	Homo sapiens	Activity	=	0	%	26241875

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 NPC97578 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	308
0.1-0.2	1342
0.2-0.3	2345
0.3-0.4	7572
0.4-0.5	6396
0.5-0.6	4963
0.6-0.7	6518
0.7-0.8	1328
0.8-0.85	101
0.85-0.9	10
0.9-0.95	3
0.95-1	3

Similarity Score	Similarity Level	Natural Product ID
0.9829	High Similarity	NPC120172
0.9504	High Similarity	NPC145659
0.9504	High Similarity	NPC9292
0.9127	High Similarity	NPC238168
0.9127	High Similarity	NPC237424
0.9083	High Similarity	NPC69006
0.8984	High Similarity	NPC473665
0.875	High Similarity	NPC261973
0.8672	High Similarity	NPC471518
0.8672	High Similarity	NPC471519
0.8647	High Similarity	NPC20210
0.8583	High Similarity	NPC107240
0.8538	High Similarity	NPC473309
0.8525	High Similarity	NPC470760
0.8512	High Similarity	NPC246760
0.8512	High Similarity	NPC84999
0.8475	Intermediate Similarity	NPC202647
0.8462	Intermediate Similarity	NPC254000
0.8456	Intermediate Similarity	NPC277784
0.8443	Intermediate Similarity	NPC115808
0.8421	Intermediate Similarity	NPC11727
0.8421	Intermediate Similarity	NPC15109
0.8417	Intermediate Similarity	NPC43525
0.8376	Intermediate Similarity	NPC248904
0.8374	Intermediate Similarity	NPC299180
0.8359	Intermediate Similarity	NPC113495
0.8333	Intermediate Similarity	NPC165770
0.8333	Intermediate Similarity	NPC224527
0.8333	Intermediate Similarity	NPC225679
0.8333	Intermediate Similarity	NPC4493
0.8333	Intermediate Similarity	NPC476632
0.8291	Intermediate Similarity	NPC292452
0.8291	Intermediate Similarity	NPC474839
0.8264	Intermediate Similarity	NPC166995
0.8258	Intermediate Similarity	NPC471517
0.8258	Intermediate Similarity	NPC282508
0.824	Intermediate Similarity	NPC217174
0.822	Intermediate Similarity	NPC470700
0.822	Intermediate Similarity	NPC109691
0.822	Intermediate Similarity	NPC39097
0.822	Intermediate Similarity	NPC39664
0.822	Intermediate Similarity	NPC302681
0.822	Intermediate Similarity	NPC118286
0.8205	Intermediate Similarity	NPC30506
0.8205	Intermediate Similarity	NPC119860
0.8205	Intermediate Similarity	NPC241891
0.8205	Intermediate Similarity	NPC102216
0.8197	Intermediate Similarity	NPC322239
0.8197	Intermediate Similarity	NPC117846
0.8197	Intermediate Similarity	NPC23804
0.8189	Intermediate Similarity	NPC237667
0.8182	Intermediate Similarity	NPC157081
0.8182	Intermediate Similarity	NPC472369
0.8175	Intermediate Similarity	NPC213607
0.8175	Intermediate Similarity	NPC182509
0.8175	Intermediate Similarity	NPC174787
0.8169	Intermediate Similarity	NPC107862
0.8169	Intermediate Similarity	NPC180605
0.8169	Intermediate Similarity	NPC177172
0.8169	Intermediate Similarity	NPC148516
0.8169	Intermediate Similarity	NPC122980
0.8167	Intermediate Similarity	NPC19808
0.8167	Intermediate Similarity	NPC33728
0.816	Intermediate Similarity	NPC206
0.8151	Intermediate Similarity	NPC54844
0.8148	Intermediate Similarity	NPC258780
0.8148	Intermediate Similarity	NPC37410
0.8148	Intermediate Similarity	NPC125579
0.814	Intermediate Similarity	NPC224342
0.8136	Intermediate Similarity	NPC134829
0.8136	Intermediate Similarity	NPC246056
0.813	Intermediate Similarity	NPC249270
0.8125	Intermediate Similarity	NPC473018
0.8125	Intermediate Similarity	NPC120633
0.812	Intermediate Similarity	NPC8899
0.8115	Intermediate Similarity	NPC473521
0.8112	Intermediate Similarity	NPC218801
0.8099	Intermediate Similarity	NPC475018
0.8088	Intermediate Similarity	NPC206525
0.8088	Intermediate Similarity	NPC170328
0.8088	Intermediate Similarity	NPC472648
0.8088	Intermediate Similarity	NPC133463
0.8088	Intermediate Similarity	NPC472647
0.8088	Intermediate Similarity	NPC141717
0.8088	Intermediate Similarity	NPC191462
0.8088	Intermediate Similarity	NPC472649
0.8083	Intermediate Similarity	NPC63698
0.8083	Intermediate Similarity	NPC174981
0.8083	Intermediate Similarity	NPC11554
0.8083	Intermediate Similarity	NPC61885
0.8062	Intermediate Similarity	NPC53567
0.806	Intermediate Similarity	NPC469611
0.8056	Intermediate Similarity	NPC233886
0.8056	Intermediate Similarity	NPC224528
0.8056	Intermediate Similarity	NPC105073
0.8051	Intermediate Similarity	NPC327811
0.8051	Intermediate Similarity	NPC254965
0.8049	Intermediate Similarity	NPC715
0.8049	Intermediate Similarity	NPC261343
0.8049	Intermediate Similarity	NPC263753
0.8047	Intermediate Similarity	NPC39029
0.8034	Intermediate Similarity	NPC100340
0.8034	Intermediate Similarity	NPC143659
0.8033	Intermediate Similarity	NPC322753
0.8033	Intermediate Similarity	NPC95716
0.8031	Intermediate Similarity	NPC472071
0.8029	Intermediate Similarity	NPC71465
0.8029	Intermediate Similarity	NPC472646
0.8029	Intermediate Similarity	NPC476393
0.8017	Intermediate Similarity	NPC186385
0.8017	Intermediate Similarity	NPC299568
0.8016	Intermediate Similarity	NPC144343
0.8015	Intermediate Similarity	NPC170485
0.8014	Intermediate Similarity	NPC149633
0.8	Intermediate Similarity	NPC173203
0.8	Intermediate Similarity	NPC469610
0.8	Intermediate Similarity	NPC163508
0.7969	Intermediate Similarity	NPC102639
0.7969	Intermediate Similarity	NPC328504
0.7967	Intermediate Similarity	NPC46940
0.7966	Intermediate Similarity	NPC168393
0.7958	Intermediate Similarity	NPC71686
0.7958	Intermediate Similarity	NPC176804
0.7951	Intermediate Similarity	NPC224870
0.7949	Intermediate Similarity	NPC161571
0.7949	Intermediate Similarity	NPC248573
0.7949	Intermediate Similarity	NPC275053
0.7949	Intermediate Similarity	NPC10588
0.7943	Intermediate Similarity	NPC304894
0.7943	Intermediate Similarity	NPC15659
0.7937	Intermediate Similarity	NPC277588
0.792	Intermediate Similarity	NPC472893
0.792	Intermediate Similarity	NPC469719
0.7917	Intermediate Similarity	NPC271274
0.7914	Intermediate Similarity	NPC472090
0.7914	Intermediate Similarity	NPC472092
0.7914	Intermediate Similarity	NPC273623
0.7914	Intermediate Similarity	NPC472091
0.7907	Intermediate Similarity	NPC475166
0.7903	Intermediate Similarity	NPC321589
0.7902	Intermediate Similarity	NPC111134
0.7902	Intermediate Similarity	NPC224921
0.7902	Intermediate Similarity	NPC6702
0.7902	Intermediate Similarity	NPC242774
0.7902	Intermediate Similarity	NPC112819
0.7902	Intermediate Similarity	NPC133209
0.7902	Intermediate Similarity	NPC237546
0.7902	Intermediate Similarity	NPC231712
0.7899	Intermediate Similarity	NPC94994
0.7895	Intermediate Similarity	NPC148366
0.7895	Intermediate Similarity	NPC215300
0.7895	Intermediate Similarity	NPC311293
0.7891	Intermediate Similarity	NPC223451
0.7891	Intermediate Similarity	NPC68339
0.7886	Intermediate Similarity	NPC151537
0.7886	Intermediate Similarity	NPC268032
0.7883	Intermediate Similarity	NPC472370
0.7881	Intermediate Similarity	NPC72947
0.7881	Intermediate Similarity	NPC284011
0.7874	Intermediate Similarity	NPC9592
0.7874	Intermediate Similarity	NPC48781
0.7869	Intermediate Similarity	NPC314187
0.7863	Intermediate Similarity	NPC228503
0.7863	Intermediate Similarity	NPC138248
0.7857	Intermediate Similarity	NPC472089
0.7857	Intermediate Similarity	NPC257540
0.7857	Intermediate Similarity	NPC247858
0.7857	Intermediate Similarity	NPC474358
0.7857	Intermediate Similarity	NPC474387
0.7857	Intermediate Similarity	NPC137496
0.7857	Intermediate Similarity	NPC154511
0.7851	Intermediate Similarity	NPC158253
0.7851	Intermediate Similarity	NPC204901
0.7851	Intermediate Similarity	NPC232523
0.7846	Intermediate Similarity	NPC71094
0.7846	Intermediate Similarity	NPC297057
0.784	Intermediate Similarity	NPC195922
0.7833	Intermediate Similarity	NPC37802
0.7829	Intermediate Similarity	NPC24125
0.782	Intermediate Similarity	NPC53781
0.782	Intermediate Similarity	NPC473221
0.7817	Intermediate Similarity	NPC313047
0.7817	Intermediate Similarity	NPC451542
0.7817	Intermediate Similarity	NPC295712
0.7817	Intermediate Similarity	NPC474203
0.7815	Intermediate Similarity	NPC71002
0.7815	Intermediate Similarity	NPC106396
0.7815	Intermediate Similarity	NPC302219
0.7815	Intermediate Similarity	NPC24404
0.7815	Intermediate Similarity	NPC242342
0.7815	Intermediate Similarity	NPC53051
0.7815	Intermediate Similarity	NPC222522
0.7815	Intermediate Similarity	NPC85479
0.7815	Intermediate Similarity	NPC94351
0.7815	Intermediate Similarity	NPC249828
0.7815	Intermediate Similarity	NPC313030
0.7815	Intermediate Similarity	NPC146798
0.7815	Intermediate Similarity	NPC168303
0.7812	Intermediate Similarity	NPC191866
0.7812	Intermediate Similarity	NPC151197

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC97578 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	299
0.1-0.2	1023
0.2-0.3	1114
0.3-0.4	3002
0.4-0.5	2132
0.5-0.6	1167
0.6-0.7	366
0.7-0.8	57
0.8-0.85	1
0.85-0.9	0
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.8017	Intermediate Similarity	NPD4750	Phase 3
0.7949	Intermediate Similarity	NPD1242	Phase 1
0.7895	Intermediate Similarity	NPD4908	Phase 1
0.7881	Intermediate Similarity	NPD940	Approved
0.7881	Intermediate Similarity	NPD846	Approved
0.7778	Intermediate Similarity	NPD4907	Clinical (unspecified phase)
0.7752	Intermediate Similarity	NPD4059	Approved
0.7734	Intermediate Similarity	NPD3091	Approved
0.7712	Intermediate Similarity	NPD3020	Approved
0.7705	Intermediate Similarity	NPD2342	Discontinued
0.7669	Intermediate Similarity	NPD3094	Phase 2
0.7634	Intermediate Similarity	NPD3092	Approved
0.7615	Intermediate Similarity	NPD3019	Approved
0.7581	Intermediate Similarity	NPD3022	Approved
0.7581	Intermediate Similarity	NPD3021	Approved
0.7537	Intermediate Similarity	NPD4339	Clinical (unspecified phase)
0.7518	Intermediate Similarity	NPD5406	Approved
0.7518	Intermediate Similarity	NPD5408	Approved
0.7518	Intermediate Similarity	NPD5404	Approved
0.7518	Intermediate Similarity	NPD5405	Approved
0.7517	Intermediate Similarity	NPD7390	Discontinued
0.75	Intermediate Similarity	NPD1610	Phase 2
0.7481	Intermediate Similarity	NPD3095	Discontinued
0.7481	Intermediate Similarity	NPD2932	Approved
0.7458	Intermediate Similarity	NPD2860	Approved
0.7458	Intermediate Similarity	NPD2859	Approved
0.7445	Intermediate Similarity	NPD4625	Phase 3
0.7426	Intermediate Similarity	NPD2861	Phase 2
0.7402	Intermediate Similarity	NPD7635	Approved
0.7373	Intermediate Similarity	NPD2933	Approved
0.7373	Intermediate Similarity	NPD2934	Approved
0.7273	Intermediate Similarity	NPD4093	Discontinued
0.7259	Intermediate Similarity	NPD3600	Clinical (unspecified phase)
0.7259	Intermediate Similarity	NPD4749	Approved
0.725	Intermediate Similarity	NPD288	Approved
0.7246	Intermediate Similarity	NPD1529	Clinical (unspecified phase)
0.7218	Intermediate Similarity	NPD2286	Discontinued
0.7214	Intermediate Similarity	NPD6663	Approved
0.7203	Intermediate Similarity	NPD1509	Clinical (unspecified phase)
0.7197	Intermediate Similarity	NPD1548	Phase 1
0.7192	Intermediate Similarity	NPD3892	Phase 2
0.7174	Intermediate Similarity	NPD1530	Clinical (unspecified phase)
0.7174	Intermediate Similarity	NPD5736	Approved
0.7167	Intermediate Similarity	NPD844	Approved
0.7164	Intermediate Similarity	NPD3023	Approved
0.7164	Intermediate Similarity	NPD3026	Approved
0.7143	Intermediate Similarity	NPD3024	Approved
0.7143	Intermediate Similarity	NPD3025	Approved
0.7111	Intermediate Similarity	NPD1201	Approved
0.7101	Intermediate Similarity	NPD4624	Approved
0.7083	Intermediate Similarity	NPD1432	Clinical (unspecified phase)
0.7073	Intermediate Similarity	NPD289	Clinical (unspecified phase)
0.7071	Intermediate Similarity	NPD3027	Phase 3
0.7042	Intermediate Similarity	NPD1613	Approved
0.7042	Intermediate Similarity	NPD1612	Clinical (unspecified phase)
0.7029	Intermediate Similarity	NPD1470	Approved
0.7025	Intermediate Similarity	NPD7199	Phase 2
0.7	Intermediate Similarity	NPD845	Approved
0.6993	Remote Similarity	NPD5735	Approved
0.6978	Remote Similarity	NPD6917	Clinical (unspecified phase)
0.6966	Remote Similarity	NPD3299	Clinical (unspecified phase)
0.6959	Remote Similarity	NPD3750	Approved
0.6947	Remote Similarity	NPD4869	Clinical (unspecified phase)
0.6944	Remote Similarity	NPD6353	Approved
0.6944	Remote Similarity	NPD4097	Suspended
0.6937	Remote Similarity	NPD7184	Clinical (unspecified phase)
0.6923	Remote Similarity	NPD943	Approved
0.6901	Remote Similarity	NPD6410	Clinical (unspecified phase)
0.6901	Remote Similarity	NPD3764	Approved
0.6899	Remote Similarity	NPD1792	Phase 2
0.6887	Remote Similarity	NPD7422	Clinical (unspecified phase)
0.6885	Remote Similarity	NPD1809	Phase 2
0.6831	Remote Similarity	NPD5156	Approved
0.6831	Remote Similarity	NPD5155	Approved
0.6824	Remote Similarity	NPD7037	Approved
0.6821	Remote Similarity	NPD7040	Clinical (unspecified phase)
0.6821	Remote Similarity	NPD7041	Phase 2
0.6818	Remote Similarity	NPD2228	Approved
0.6818	Remote Similarity	NPD2229	Approved
0.6818	Remote Similarity	NPD2234	Approved
0.6815	Remote Similarity	NPD7741	Discontinued
0.6806	Remote Similarity	NPD3620	Phase 2
0.6806	Remote Similarity	NPD4060	Phase 1
0.6806	Remote Similarity	NPD3619	Clinical (unspecified phase)
0.6803	Remote Similarity	NPD6099	Approved
0.6803	Remote Similarity	NPD6100	Approved
0.6791	Remote Similarity	NPD7325	Clinical (unspecified phase)
0.6776	Remote Similarity	NPD7004	Clinical (unspecified phase)
0.6776	Remote Similarity	NPD7447	Phase 1
0.6767	Remote Similarity	NPD1476	Clinical (unspecified phase)
0.6763	Remote Similarity	NPD5327	Phase 3
0.6761	Remote Similarity	NPD2606	Approved
0.6761	Remote Similarity	NPD3595	Approved
0.6761	Remote Similarity	NPD3594	Approved
0.6761	Remote Similarity	NPD2605	Approved
0.6757	Remote Similarity	NPD4726	Approved
0.6757	Remote Similarity	NPD4725	Approved
0.6757	Remote Similarity	NPD4721	Approved
0.6735	Remote Similarity	NPD7742	Approved
0.6735	Remote Similarity	NPD7743	Approved
0.673	Remote Similarity	NPD3749	Approved
0.6715	Remote Similarity	NPD5238	Clinical (unspecified phase)
0.6715	Remote Similarity	NPD1751	Approved
0.6712	Remote Similarity	NPD2568	Approved
0.6711	Remote Similarity	NPD7212	Phase 2
0.6711	Remote Similarity	NPD7213	Phase 3
0.6708	Remote Similarity	NPD6959	Discontinued
0.6692	Remote Similarity	NPD5283	Phase 1
0.6691	Remote Similarity	NPD2226	Clinical (unspecified phase)
0.6691	Remote Similarity	NPD5303	Approved
0.6691	Remote Similarity	NPD5304	Approved
0.669	Remote Similarity	NPD3018	Phase 2
0.669	Remote Similarity	NPD4140	Approved
0.6688	Remote Similarity	NPD37	Approved
0.6687	Remote Similarity	NPD6234	Discontinued
0.6667	Remote Similarity	NPD4160	Clinical (unspecified phase)
0.6667	Remote Similarity	NPD4966	Approved
0.6667	Remote Similarity	NPD4967	Phase 2
0.6667	Remote Similarity	NPD4965	Approved
0.6667	Remote Similarity	NPD7768	Phase 2
0.6667	Remote Similarity	NPD1445	Approved
0.6667	Remote Similarity	NPD1444	Approved
0.6667	Remote Similarity	NPD3028	Approved
0.6644	Remote Similarity	NPD5762	Approved
0.6644	Remote Similarity	NPD2029	Clinical (unspecified phase)
0.6644	Remote Similarity	NPD5763	Approved
0.6642	Remote Similarity	NPD497	Approved
0.6623	Remote Similarity	NPD7466	Approved
0.6622	Remote Similarity	NPD3748	Approved
0.6622	Remote Similarity	NPD651	Clinical (unspecified phase)
0.6622	Remote Similarity	NPD1510	Phase 2
0.6621	Remote Similarity	NPD6407	Approved
0.6621	Remote Similarity	NPD6405	Approved
0.662	Remote Similarity	NPD6584	Phase 3
0.6619	Remote Similarity	NPD422	Phase 1
0.661	Remote Similarity	NPD111	Approved
0.6604	Remote Similarity	NPD8443	Clinical (unspecified phase)
0.66	Remote Similarity	NPD970	Clinical (unspecified phase)
0.6599	Remote Similarity	NPD2157	Approved
0.6594	Remote Similarity	NPD4589	Approved
0.6594	Remote Similarity	NPD4626	Approved
0.6593	Remote Similarity	NPD6671	Approved
0.6575	Remote Similarity	NPD2238	Phase 2
0.6573	Remote Similarity	NPD3636	Approved
0.6573	Remote Similarity	NPD3635	Approved
0.6573	Remote Similarity	NPD3637	Approved
0.6567	Remote Similarity	NPD498	Approved
0.6567	Remote Similarity	NPD495	Approved
0.6567	Remote Similarity	NPD496	Approved
0.6564	Remote Similarity	NPD6232	Discontinued
0.6564	Remote Similarity	NPD7229	Phase 3
0.6558	Remote Similarity	NPD7410	Clinical (unspecified phase)
0.6556	Remote Similarity	NPD5698	Clinical (unspecified phase)
0.6556	Remote Similarity	NPD3638	Discontinued
0.6554	Remote Similarity	NPD7718	Clinical (unspecified phase)
0.6552	Remote Similarity	NPD2028	Clinical (unspecified phase)
0.6552	Remote Similarity	NPD6859	Clinical (unspecified phase)
0.6545	Remote Similarity	NPD7473	Discontinued
0.6541	Remote Similarity	NPD6124	Clinical (unspecified phase)
0.6525	Remote Similarity	NPD4659	Approved
0.6525	Remote Similarity	NPD2983	Phase 2
0.6525	Remote Similarity	NPD2982	Phase 2
0.6515	Remote Similarity	NPD5451	Approved
0.6513	Remote Similarity	NPD6398	Clinical (unspecified phase)
0.6513	Remote Similarity	NPD7003	Approved
0.6506	Remote Similarity	NPD7228	Approved
0.6503	Remote Similarity	NPD2195	Approved
0.6503	Remote Similarity	NPD2194	Approved
0.65	Remote Similarity	NPD5350	Clinical (unspecified phase)
0.65	Remote Similarity	NPD5351	Clinical (unspecified phase)
0.6496	Remote Similarity	NPD9089	Approved
0.6479	Remote Similarity	NPD6696	Suspended
0.6471	Remote Similarity	NPD8131	Suspended
0.6471	Remote Similarity	NPD7910	Clinical (unspecified phase)
0.6471	Remote Similarity	NPD709	Approved
0.6467	Remote Similarity	NPD1632	Clinical (unspecified phase)
0.6463	Remote Similarity	NPD1555	Discontinued
0.6463	Remote Similarity	NPD1240	Approved
0.646	Remote Similarity	NPD4868	Clinical (unspecified phase)
0.6454	Remote Similarity	NPD2981	Phase 2
0.6454	Remote Similarity	NPD2230	Approved
0.6454	Remote Similarity	NPD2232	Approved
0.6454	Remote Similarity	NPD2233	Approved
0.6452	Remote Similarity	NPD4378	Clinical (unspecified phase)
0.6444	Remote Similarity	NPD7159	Clinical (unspecified phase)
0.6438	Remote Similarity	NPD7819	Suspended
0.6438	Remote Similarity	NPD6812	Clinical (unspecified phase)
0.6434	Remote Similarity	NPD2797	Approved
0.6434	Remote Similarity	NPD1164	Approved
0.6434	Remote Similarity	NPD4104	Clinical (unspecified phase)
0.6434	Remote Similarity	NPD4103	Phase 2
0.6433	Remote Similarity	NPD8053	Approved
0.6433	Remote Similarity	NPD8054	Approved
0.6424	Remote Similarity	NPD1552	Clinical (unspecified phase)
0.6424	Remote Similarity	NPD1550	Clinical (unspecified phase)
0.6423	Remote Similarity	NPD405	Clinical (unspecified phase)
0.6419	Remote Similarity	NPD5123	Clinical (unspecified phase)
0.6419	Remote Similarity	NPD5124	Phase 1
0.6412	Remote Similarity	NPD8453	Clinical (unspecified phase)
0.641	Remote Similarity	NPD6273	Approved

Structure

CID97578 OpenBabel06191715432D 34 39 0 0 1 0 0 0 0 0999 V2000 -3.4580 1.1812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3212 2.4338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3486 0.7137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9905 -0.9390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1812 1.8376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0444 3.0902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3028 0.5069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9447 -1.1457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8492 -1.4475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0139 2.9174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5209 -1.4475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6856 2.9174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5280 1.4794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6925 -0.0093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9744 2.7920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6009 -0.4228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6850 -1.9301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8498 3.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8492 -0.4823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0139 1.9523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5209 -0.4823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6856 1.9523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6842 0.9877 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8489 0.4822 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.6850 0.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8498 1.4697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8350 1.4701 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0000 -0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.6976 3.4484 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5550 -0.6295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6850 -2.9859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8498 4.4558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4352 0.0455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5999 1.4244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 13 2 0 0 0 0 2 6 2 0 0 0 0 2 13 1 0 0 0 0 3 7 1 0 0 0 0 3 14 2 0 0 0 0 4 8 2 0 0 0 0 4 14 1 0 0 0 0 5 15 2 0 0 0 0 6 15 1 0 0 0 0 7 16 2 0 0 0 0 8 16 1 0 0 0 0 9 17 2 0 0 0 0 9 19 1 0 0 0 0 10 18 2 0 0 0 0 10 20 1 0 0 0 0 11 17 1 0 0 0 0 11 21 2 0 0 0 0 12 18 1 0 0 0 0 12 22 2 0 0 0 0 15 29 1 0 0 0 0 16 30 1 0 0 0 0 17 31 1 0 0 0 0 18 32 1 0 0 0 0 19 25 2 0 0 0 0 20 26 2 0 0 0 0 21 25 1 0 0 0 0 21 33 1 0 0 0 0 22 26 1 0 0 0 0 22 34 1 0 0 0 0 23 13 1 1 0 0 0 23 25 1 0 0 0 0 23 27 1 0 0 0 0 24 14 1 1 0 0 0 24 26 1 0 0 0 0 24 28 1 0 0 0 0 27 20 1 6 0 0 0 27 28 1 0 0 0 0 28 19 1 6 0 0 0 M END $$$$

External Identifiers

PubChem CID	484757
ChEMBL	CHEMBL480462
ZINC

Physicochemical Properties

Molecular Weight:	454.14
ALogP:	-3.0266
MLogP:	3.88
XLogP:	4.262
# Rotatable Bonds:	8
Polar Surface Area:	121.38
# H-Bond Aceptor:	0
# H-Bond Donor:	6
# Rings:	6
# Heavy Atoms:	34

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