NPASS Natural Product

Natural Product: NPC473072

Natural Product ID:	NPC473072
Common Name:	n.a.
IUPAC Name:
Synonyms:
Molecular Formula:	C29H32O17
Standard InCHIKey:	XPZSTTGGUQPRPH-QMSXDKOZSA-N
Standard InCHI:	InChI=1S/C29H32O17/c1-9-17(32)21(36)23(38)28(42-9)46-27-22(37)18(33)15(7-30)44-29(27)45-26-20(35)16-13(6-14-25(19(16)34)41-8-40-14)43-24(26)10-3-4-11(31)12(5-10)39-2/h3-6,9,15,17-18,21-23,27-34,36-38H,7-8H2,1-2H3/t9-,15+,17-,18+,21+,22-,23+,27+,28-,29-/m0/s1
Canonical SMILES:	OC[C@H]1O[C@@H](Oc2c(oc3c(c2=O)c(O)c2c(c3)OCO2)c2ccc(c(c2)OC)O)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)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
NPO33494	atriplex littoralis	Species	Chenopodiaceae	Eukaryota				PMID[26290401]

Biological Activity

Activity Type	# Activity
Others	15

Activity Type	# Activity
Cell Line	15

Target ID	Target Type	Target Name	Activity Type	Activity Relation	Value	Unit	Reference
NPT885	Cell Line	PBL	Activity	=	170.9		21910504
NPT885	Cell Line	PBL	Activity	=	172		21910504
NPT885	Cell Line	PBL	Activity	=	14.3	%	8864236
NPT885	Cell Line	PBL	Activity	=	1.7		24251399
NPT885	Cell Line	PBL	Activity	=	1.7		24269513
NPT885	Cell Line	PBL	Activity	=	14.4	%	DrugMatrix in vitro pharmacology data
NPT885	Cell Line	PBL	Activity	=	175.3		17253840
NPT885	Cell Line	PBL	Activity	=	1.2		26290401
NPT885	Cell Line	PBL	Activity	=	94	%	17371810
NPT885	Cell Line	PBL	Activity	=	1.7		22901896
NPT885	Cell Line	PBL	Activity	=	1.2		PubChem BioAssay data set
NPT885	Cell Line	PBL	Activity	=	95.8	%	21377877
NPT885	Cell Line	PBL	Activity	=	93.4	%	21377877
NPT885	Cell Line	PBL	Activity	=	1.2		23368966
NPT885	Cell Line	PBL	Activity	=	14.1	%	8410974

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 NPC473072 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	339
0.1-0.2	1301
0.2-0.3	2805
0.3-0.4	6206
0.4-0.5	6341
0.5-0.6	3406
0.6-0.7	3794
0.7-0.8	4243
0.8-0.85	1318
0.85-0.9	733
0.9-0.95	330
0.95-1	73

Similarity Score	Similarity Level	Natural Product ID
0.994	High Similarity	NPC473073
0.994	High Similarity	NPC473071
0.988	High Similarity	NPC473571
0.988	High Similarity	NPC126784
0.988	High Similarity	NPC241423
0.988	High Similarity	NPC470443
0.988	High Similarity	NPC470444
0.988	High Similarity	NPC473682
0.988	High Similarity	NPC110941
0.9763	High Similarity	NPC470449
0.9763	High Similarity	NPC470447
0.9763	High Similarity	NPC470445
0.9763	High Similarity	NPC470446
0.976	High Similarity	NPC65563
0.976	High Similarity	NPC8573
0.976	High Similarity	NPC169733
0.976	High Similarity	NPC470949
0.9706	High Similarity	NPC470455
0.9706	High Similarity	NPC470451
0.9706	High Similarity	NPC148710
0.9701	High Similarity	NPC19108
0.9701	High Similarity	NPC220173
0.9701	High Similarity	NPC294815
0.9701	High Similarity	NPC473327
0.9701	High Similarity	NPC476472
0.9701	High Similarity	NPC16194
0.9641	High Similarity	NPC45522
0.9641	High Similarity	NPC21666
0.9641	High Similarity	NPC24043
0.9641	High Similarity	NPC42773
0.9641	High Similarity	NPC101026
0.9641	High Similarity	NPC204693
0.9641	High Similarity	NPC169977
0.9586	High Similarity	NPC173837
0.9586	High Similarity	NPC89052
0.9586	High Similarity	NPC251417
0.9581	High Similarity	NPC60735
0.9581	High Similarity	NPC176740
0.9581	High Similarity	NPC476405
0.9581	High Similarity	NPC471748
0.9581	High Similarity	NPC134532
0.9581	High Similarity	NPC33054
0.9581	High Similarity	NPC117260
0.9581	High Similarity	NPC26230
0.9581	High Similarity	NPC155877
0.9581	High Similarity	NPC471725
0.9581	High Similarity	NPC3583
0.9581	High Similarity	NPC259152
0.9581	High Similarity	NPC203259
0.9529	High Similarity	NPC192539
0.9527	High Similarity	NPC219043
0.9527	High Similarity	NPC202908
0.9527	High Similarity	NPC14187
0.9527	High Similarity	NPC472385
0.9527	High Similarity	NPC471669
0.9527	High Similarity	NPC198324
0.9527	High Similarity	NPC89127
0.9527	High Similarity	NPC292019
0.9527	High Similarity	NPC122467
0.9527	High Similarity	NPC48984
0.9521	High Similarity	NPC285197
0.9521	High Similarity	NPC136042
0.9521	High Similarity	NPC255157
0.9521	High Similarity	NPC67105
0.9521	High Similarity	NPC245014
0.9521	High Similarity	NPC95866
0.9521	High Similarity	NPC84265
0.9521	High Similarity	NPC254855
0.9521	High Similarity	NPC67326
0.9521	High Similarity	NPC29958
0.9521	High Similarity	NPC282987
0.9521	High Similarity	NPC156869
0.9521	High Similarity	NPC259896
0.9471	High Similarity	NPC168584
0.9467	High Similarity	NPC210094
0.9467	High Similarity	NPC101191
0.9467	High Similarity	NPC264735
0.9467	High Similarity	NPC102028
0.9467	High Similarity	NPC237435
0.9467	High Similarity	NPC477848
0.9467	High Similarity	NPC115760
0.9467	High Similarity	NPC253685
0.9467	High Similarity	NPC49344
0.9467	High Similarity	NPC135277
0.9467	High Similarity	NPC43211
0.9467	High Similarity	NPC142996
0.9464	High Similarity	NPC245452
0.9461	High Similarity	NPC201292
0.9461	High Similarity	NPC209296
0.9461	High Similarity	NPC219904
0.9461	High Similarity	NPC226294
0.9461	High Similarity	NPC203050
0.9461	High Similarity	NPC475942
0.9461	High Similarity	NPC58053
0.9461	High Similarity	NPC86008
0.9461	High Similarity	NPC186807
0.9461	High Similarity	NPC105025
0.9461	High Similarity	NPC223747
0.9461	High Similarity	NPC227508
0.9461	High Similarity	NPC469931
0.9461	High Similarity	NPC45638
0.9461	High Similarity	NPC195257
0.9461	High Similarity	NPC93337
0.9461	High Similarity	NPC120099
0.9461	High Similarity	NPC225434
0.9419	High Similarity	NPC36138
0.9412	High Similarity	NPC473862
0.9412	High Similarity	NPC233994
0.9412	High Similarity	NPC257714
0.9412	High Similarity	NPC211532
0.9412	High Similarity	NPC472380
0.9412	High Similarity	NPC268533
0.9412	High Similarity	NPC472384
0.9412	High Similarity	NPC472382
0.9408	High Similarity	NPC239549
0.9408	High Similarity	NPC236191
0.9408	High Similarity	NPC4390
0.9408	High Similarity	NPC51774
0.9405	High Similarity	NPC206123
0.9405	High Similarity	NPC22195
0.9405	High Similarity	NPC72249
0.9405	High Similarity	NPC183357
0.9405	High Similarity	NPC21190
0.9401	High Similarity	NPC325555
0.9401	High Similarity	NPC84362
0.9401	High Similarity	NPC223424
0.9401	High Similarity	NPC317489
0.9401	High Similarity	NPC265530
0.9401	High Similarity	NPC226304
0.9401	High Similarity	NPC52550
0.9401	High Similarity	NPC45618
0.9401	High Similarity	NPC58716
0.9401	High Similarity	NPC275454
0.9401	High Similarity	NPC127546
0.9401	High Similarity	NPC173637
0.9401	High Similarity	NPC146792
0.9401	High Similarity	NPC76482
0.9364	High Similarity	NPC470416
0.9364	High Similarity	NPC25946
0.9364	High Similarity	NPC470720
0.9364	High Similarity	NPC21359
0.9364	High Similarity	NPC470713
0.9364	High Similarity	NPC460984
0.9364	High Similarity	NPC470717
0.9353	High Similarity	NPC472607
0.9353	High Similarity	NPC198199
0.9353	High Similarity	NPC294629
0.9349	High Similarity	NPC267254
0.9349	High Similarity	NPC205076
0.9349	High Similarity	NPC156977
0.9349	High Similarity	NPC261254
0.9349	High Similarity	NPC475155
0.9349	High Similarity	NPC175107
0.9349	High Similarity	NPC211594
0.9349	High Similarity	NPC172807
0.9349	High Similarity	NPC307518
0.9349	High Similarity	NPC180918
0.9349	High Similarity	NPC48773
0.9349	High Similarity	NPC301683
0.9349	High Similarity	NPC190003
0.9349	High Similarity	NPC254540
0.9349	High Similarity	NPC153755
0.9345	High Similarity	NPC52382
0.9345	High Similarity	NPC270578
0.9345	High Similarity	NPC95855
0.9345	High Similarity	NPC210042
0.9345	High Similarity	NPC476771
0.9345	High Similarity	NPC472381
0.9345	High Similarity	NPC170675
0.9345	High Similarity	NPC472383
0.9345	High Similarity	NPC112755
0.9345	High Similarity	NPC471457
0.9341	High Similarity	NPC281131
0.9341	High Similarity	NPC67037
0.9341	High Similarity	NPC118284
0.9341	High Similarity	NPC277174
0.9341	High Similarity	NPC73855
0.9341	High Similarity	NPC328940
0.9341	High Similarity	NPC274618
0.9341	High Similarity	NPC56077
0.9341	High Similarity	NPC99957
0.9341	High Similarity	NPC181616
0.9341	High Similarity	NPC135599
0.9341	High Similarity	NPC210073
0.9341	High Similarity	NPC255615
0.9341	High Similarity	NPC308404
0.9341	High Similarity	NPC197285
0.9341	High Similarity	NPC21100
0.9341	High Similarity	NPC88789
0.9341	High Similarity	NPC145038
0.9341	High Similarity	NPC253662
0.9341	High Similarity	NPC276222
0.9341	High Similarity	NPC8856
0.9341	High Similarity	NPC115674
0.9341	High Similarity	NPC179950
0.9341	High Similarity	NPC113968
0.9341	High Similarity	NPC254306
0.931	High Similarity	NPC473554
0.931	High Similarity	NPC295625
0.931	High Similarity	NPC470719

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC473072 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	342
0.1-0.2	871
0.2-0.3	1917
0.3-0.4	2691
0.4-0.5	1886
0.5-0.6	934
0.6-0.7	374
0.7-0.8	113
0.8-0.85	16
0.85-0.9	8
0.9-0.95	5
0.95-1	4

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.9641	High Similarity	NPD7251	Discontinued
0.9583	High Similarity	NPD7808	Phase 3
0.9581	High Similarity	NPD6797	Phase 2
0.9521	High Similarity	NPD7472	Approved
0.9467	High Similarity	NPD4338	Clinical (unspecified phase)
0.9461	High Similarity	NPD7054	Approved
0.929	High Similarity	NPD7074	Phase 3
0.9172	High Similarity	NPD3818	Discontinued
0.9006	High Similarity	NPD7804	Clinical (unspecified phase)
0.8941	High Similarity	NPD6166	Phase 2
0.8941	High Similarity	NPD6168	Clinical (unspecified phase)
0.8941	High Similarity	NPD6167	Clinical (unspecified phase)
0.875	High Similarity	NPD3882	Suspended
0.8743	High Similarity	NPD2801	Approved
0.8698	High Similarity	NPD4381	Clinical (unspecified phase)
0.858	High Similarity	NPD3817	Phase 2
0.8571	High Similarity	NPD1934	Approved
0.8412	Intermediate Similarity	NPD2393	Clinical (unspecified phase)
0.8382	Intermediate Similarity	NPD5494	Approved
0.8371	Intermediate Similarity	NPD7993	Clinical (unspecified phase)
0.8363	Intermediate Similarity	NPD5402	Approved
0.8323	Intermediate Similarity	NPD1512	Approved
0.8266	Intermediate Similarity	NPD7075	Discontinued
0.8222	Intermediate Similarity	NPD6559	Discontinued
0.8216	Intermediate Similarity	NPD7879	Clinical (unspecified phase)
0.8208	Intermediate Similarity	NPD4868	Clinical (unspecified phase)
0.8204	Intermediate Similarity	NPD1511	Approved
0.8129	Intermediate Similarity	NPD4380	Phase 2
0.8101	Intermediate Similarity	NPD7228	Approved
0.8092	Intermediate Similarity	NPD7096	Clinical (unspecified phase)
0.8035	Intermediate Similarity	NPD6801	Discontinued
0.8012	Intermediate Similarity	NPD1653	Approved
0.8	Intermediate Similarity	NPD3751	Discontinued
0.7978	Intermediate Similarity	NPD3787	Discontinued
0.7953	Intermediate Similarity	NPD5403	Approved
0.7946	Intermediate Similarity	NPD8055	Clinical (unspecified phase)
0.7941	Intermediate Similarity	NPD4378	Clinical (unspecified phase)
0.7923	Intermediate Similarity	NPD7685	Pre-registration
0.7921	Intermediate Similarity	NPD1247	Approved
0.7882	Intermediate Similarity	NPD6799	Approved
0.7857	Intermediate Similarity	NPD5844	Phase 1
0.7838	Intermediate Similarity	NPD8313	Approved
0.7838	Intermediate Similarity	NPD8312	Approved
0.7836	Intermediate Similarity	NPD5401	Approved
0.7833	Intermediate Similarity	NPD7184	Clinical (unspecified phase)
0.7819	Intermediate Similarity	NPD8397	Clinical (unspecified phase)
0.7795	Intermediate Similarity	NPD7435	Discontinued
0.7784	Intermediate Similarity	NPD1465	Phase 2
0.7747	Intermediate Similarity	NPD7473	Discontinued
0.7746	Intermediate Similarity	NPD6980	Clinical (unspecified phase)
0.774	Intermediate Similarity	NPD8443	Clinical (unspecified phase)
0.7738	Intermediate Similarity	NPD1550	Clinical (unspecified phase)
0.7738	Intermediate Similarity	NPD1552	Clinical (unspecified phase)
0.7732	Intermediate Similarity	NPD6776	Approved
0.7732	Intermediate Similarity	NPD6777	Approved
0.7732	Intermediate Similarity	NPD6778	Approved
0.7732	Intermediate Similarity	NPD6779	Approved
0.7732	Intermediate Similarity	NPD6780	Approved
0.7732	Intermediate Similarity	NPD6782	Approved
0.7732	Intermediate Similarity	NPD6781	Approved
0.773	Intermediate Similarity	NPD7240	Approved
0.7722	Intermediate Similarity	NPD7199	Phase 2
0.7722	Intermediate Similarity	NPD6959	Discontinued
0.7709	Intermediate Similarity	NPD919	Approved
0.7709	Intermediate Similarity	NPD6234	Discontinued
0.7704	Intermediate Similarity	NPD7698	Approved
0.7704	Intermediate Similarity	NPD7696	Phase 3
0.7704	Intermediate Similarity	NPD7697	Approved
0.7692	Intermediate Similarity	NPD1549	Phase 2
0.7684	Intermediate Similarity	NPD7819	Suspended
0.768	Intermediate Similarity	NPD6232	Discontinued
0.7638	Intermediate Similarity	NPD7701	Phase 2
0.7637	Intermediate Similarity	NPD3926	Phase 2
0.7627	Intermediate Similarity	NPD37	Approved
0.7614	Intermediate Similarity	NPD6599	Discontinued
0.76	Intermediate Similarity	NPD8151	Discontinued
0.7598	Intermediate Similarity	NPD4967	Phase 2
0.7598	Intermediate Similarity	NPD4966	Approved
0.7598	Intermediate Similarity	NPD4965	Approved
0.7576	Intermediate Similarity	NPD7871	Phase 2
0.7576	Intermediate Similarity	NPD7870	Phase 2
0.7574	Intermediate Similarity	NPD2796	Approved
0.7571	Intermediate Similarity	NPD7411	Suspended
0.7562	Intermediate Similarity	NPD7875	Clinical (unspecified phase)
0.7562	Intermediate Similarity	NPD7874	Approved
0.7558	Intermediate Similarity	NPD6190	Approved
0.7538	Intermediate Similarity	NPD7699	Phase 2
0.7538	Intermediate Similarity	NPD7700	Phase 2
0.7529	Intermediate Similarity	NPD7410	Clinical (unspecified phase)
0.7529	Intermediate Similarity	NPD7266	Discontinued
0.7525	Intermediate Similarity	NPD7783	Phase 2
0.7525	Intermediate Similarity	NPD7782	Clinical (unspecified phase)
0.7515	Intermediate Similarity	NPD1510	Phase 2
0.7486	Intermediate Similarity	NPD8455	Phase 2
0.7474	Intermediate Similarity	NPD6535	Approved
0.7474	Intermediate Similarity	NPD6534	Approved
0.7471	Intermediate Similarity	NPD6143	Clinical (unspecified phase)
0.7438	Intermediate Similarity	NPD7801	Approved
0.7435	Intermediate Similarity	NPD8434	Phase 2
0.7413	Intermediate Similarity	NPD7584	Approved
0.7405	Intermediate Similarity	NPD7852	Clinical (unspecified phase)
0.7399	Intermediate Similarity	NPD1878	Clinical (unspecified phase)
0.7387	Intermediate Similarity	NPD6823	Phase 2
0.7381	Intermediate Similarity	NPD1612	Clinical (unspecified phase)
0.7381	Intermediate Similarity	NPD1613	Approved
0.7363	Intermediate Similarity	NPD3749	Approved
0.7323	Intermediate Similarity	NPD7237	Clinical (unspecified phase)
0.7313	Intermediate Similarity	NPD8319	Approved
0.7313	Intermediate Similarity	NPD8320	Phase 1
0.731	Intermediate Similarity	NPD8090	Clinical (unspecified phase)
0.7283	Intermediate Similarity	NPD970	Clinical (unspecified phase)
0.7278	Intermediate Similarity	NPD943	Approved
0.7278	Intermediate Similarity	NPD1240	Approved
0.7264	Intermediate Similarity	NPD7680	Approved
0.7254	Intermediate Similarity	NPD8150	Discontinued
0.7235	Intermediate Similarity	NPD230	Phase 1
0.7235	Intermediate Similarity	NPD1933	Approved
0.7232	Intermediate Similarity	NPD2532	Approved
0.7232	Intermediate Similarity	NPD2534	Approved
0.7232	Intermediate Similarity	NPD2533	Approved
0.7217	Intermediate Similarity	NPD5619	Clinical (unspecified phase)
0.7213	Intermediate Similarity	NPD7768	Phase 2
0.7204	Intermediate Similarity	NPD8155	Clinical (unspecified phase)
0.7202	Intermediate Similarity	NPD3027	Phase 3
0.72	Intermediate Similarity	NPD3750	Approved
0.7193	Intermediate Similarity	NPD1607	Approved
0.7168	Intermediate Similarity	NPD2935	Discontinued
0.716	Intermediate Similarity	NPD6859	Clinical (unspecified phase)
0.7151	Intermediate Similarity	NPD920	Approved
0.7143	Intermediate Similarity	NPD6844	Discontinued
0.7143	Intermediate Similarity	NPD2800	Approved
0.7143	Intermediate Similarity	NPD1529	Clinical (unspecified phase)
0.7135	Intermediate Similarity	NPD447	Suspended
0.7114	Intermediate Similarity	NPD7501	Clinical (unspecified phase)
0.711	Intermediate Similarity	NPD651	Clinical (unspecified phase)
0.7102	Intermediate Similarity	NPD4628	Phase 3
0.7083	Intermediate Similarity	NPD1530	Clinical (unspecified phase)
0.7071	Intermediate Similarity	NPD6212	Phase 3
0.7071	Intermediate Similarity	NPD6214	Clinical (unspecified phase)
0.7071	Intermediate Similarity	NPD6213	Phase 3
0.7069	Intermediate Similarity	NPD1551	Phase 2
0.7047	Intermediate Similarity	NPD4419	Clinical (unspecified phase)
0.7039	Intermediate Similarity	NPD642	Clinical (unspecified phase)
0.7039	Intermediate Similarity	NPD7585	Approved
0.7037	Intermediate Similarity	NPD7784	Clinical (unspecified phase)
0.7018	Intermediate Similarity	NPD6233	Phase 2
0.699	Remote Similarity	NPD7583	Approved
0.6978	Remote Similarity	NPD7458	Discontinued
0.6963	Remote Similarity	NPD7907	Approved
0.6949	Remote Similarity	NPD7421	Clinical (unspecified phase)
0.6949	Remote Similarity	NPD6674	Discontinued
0.6949	Remote Similarity	NPD1243	Approved
0.6944	Remote Similarity	NPD7004	Clinical (unspecified phase)
0.6943	Remote Similarity	NPD5953	Discontinued
0.6942	Remote Similarity	NPD7211	Clinical (unspecified phase)
0.6936	Remote Similarity	NPD6355	Discontinued
0.6932	Remote Similarity	NPD2344	Approved
0.6927	Remote Similarity	NPD643	Clinical (unspecified phase)
0.6927	Remote Similarity	NPD7286	Phase 2
0.6914	Remote Similarity	NPD7033	Discontinued
0.6914	Remote Similarity	NPD3748	Approved
0.6888	Remote Similarity	NPD7090	Clinical (unspecified phase)
0.6885	Remote Similarity	NPD3226	Approved
0.6882	Remote Similarity	NPD9494	Approved
0.6882	Remote Similarity	NPD5353	Approved
0.6881	Remote Similarity	NPD8058	Clinical (unspecified phase)
0.6881	Remote Similarity	NPD8059	Phase 3
0.6878	Remote Similarity	NPD5006	Approved
0.6878	Remote Similarity	NPD5005	Approved
0.6875	Remote Similarity	NPD2163	Approved
0.6875	Remote Similarity	NPD6100	Approved
0.6875	Remote Similarity	NPD6099	Approved
0.6866	Remote Similarity	NPD4360	Phase 2
0.6866	Remote Similarity	NPD4363	Phase 3
0.686	Remote Similarity	NPD6798	Discontinued
0.6859	Remote Similarity	NPD2403	Approved
0.6842	Remote Similarity	NPD5710	Approved
0.6842	Remote Similarity	NPD6832	Phase 2
0.6842	Remote Similarity	NPD5711	Approved
0.684	Remote Similarity	NPD7930	Approved
0.6829	Remote Similarity	NPD2493	Approved
0.6829	Remote Similarity	NPD2494	Approved
0.6826	Remote Similarity	NPD1091	Approved
0.68	Remote Similarity	NPD6651	Approved
0.6796	Remote Similarity	NPD7390	Discontinued
0.6791	Remote Similarity	NPD4111	Phase 1
0.6791	Remote Similarity	NPD4665	Approved
0.6789	Remote Similarity	NPD8127	Discontinued
0.6787	Remote Similarity	NPD8067	Phase 3
0.6786	Remote Similarity	NPD7549	Discontinued
0.6778	Remote Similarity	NPD2309	Approved
0.6765	Remote Similarity	NPD4420	Approved
0.6763	Remote Similarity	NPD2313	Discontinued
0.676	Remote Similarity	NPD1652	Phase 2
0.6754	Remote Similarity	NPD7229	Phase 3
0.6748	Remote Similarity	NPD3450	Approved
0.6748	Remote Similarity	NPD3452	Approved
0.6746	Remote Similarity	NPD4379	Clinical (unspecified phase)
0.6744	Remote Similarity	NPD4908	Phase 1
0.6742	Remote Similarity	NPD2346	Discontinued

Structure

NPC473072 OpenBabel07101719252D 46 51 0 0 1 0 0 0 0 0999 V2000 4.3301 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 -3.5000 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 1.7321 -5.0000 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 -2.5981 -3.5000 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 -5.0029 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 1.5000 0.0000 C 0 0 1 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 2.5981 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 -3.5000 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 -3.4641 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.0000 0.0000 C 0 0 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 5.1962 1.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8660 1.5000 0.0000 C 0 0 2 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 -0.8660 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1962 0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7321 1.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3301 -0.5000 0.0000 C 0 0 2 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 -3.4641 -2.0000 0.0000 C 0 0 0 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 1.7321 0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4641 0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8660 -0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8660 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 -5.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0622 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5981 -0.5000 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 6.0622 -0.5000 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 4.3301 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4152 -3.3090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4152 -1.6910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 -3.5000 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 0.8660 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 39 1 0 0 0 0 3 4 2 0 0 0 0 3 10 1 0 0 0 0 4 11 1 0 0 0 0 5 10 2 0 0 0 0 5 12 1 0 0 0 0 6 13 2 0 0 0 0 6 14 1 0 0 0 0 7 30 1 0 0 0 0 8 40 1 0 0 0 0 8 41 1 0 0 0 0 9 1 1 1 0 0 0 9 17 1 0 0 0 0 9 42 1 0 0 0 0 10 24 1 0 0 0 0 11 12 2 0 0 0 0 11 31 1 0 0 0 0 12 39 1 0 0 0 0 13 16 1 0 0 0 0 13 43 1 0 0 0 0 14 25 2 0 0 0 0 14 40 1 0 0 0 0 15 7 1 6 0 0 0 15 18 1 0 0 0 0 15 44 1 0 0 0 0 16 19 2 0 0 0 0 16 20 1 0 0 0 0 17 21 1 0 0 0 0 17 32 1 6 0 0 0 18 22 1 0 0 0 0 18 33 1 1 0 0 0 19 25 1 0 0 0 0 19 34 1 0 0 0 0 20 26 1 0 0 0 0 20 35 2 0 0 0 0 21 23 1 0 0 0 0 21 36 1 1 0 0 0 22 27 1 0 0 0 0 22 37 1 6 0 0 0 23 28 1 0 0 0 0 23 38 1 1 0 0 0 24 26 2 0 0 0 0 24 43 1 0 0 0 0 25 41 1 0 0 0 0 26 45 1 0 0 0 0 27 29 1 0 0 0 0 27 46 1 1 0 0 0 28 42 1 0 0 0 0 28 46 1 6 0 0 0 29 44 1 0 0 0 0 29 45 1 6 0 0 0 M END $$$$

External Identifiers

PubChem CID
ChEMBL	CHEMBL3609097
ZINC

Physicochemical Properties

Molecular Weight:	652.16
ALogP:	-5.5729
MLogP:	2.78
XLogP:	-1.096
# Rotatable Bonds:	17
Polar Surface Area:	252.75
# H-Bond Aceptor:	11
# H-Bond Donor:	8
# Rings:	6
# Heavy Atoms:	46

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