NPASS Natural Product

Natural Product: NPC469521

Natural Product ID:	NPC469521
Common Name:	Xanalteric Acid I
IUPAC Name:
Synonyms:	xanalteric acid I
Molecular Formula:	C20H12O7
Standard InCHIKey:	SRAOLIZIJYDHTE-UHFFFAOYSA-N
Standard InCHI:	InChI=1S/C20H12O7/c21-10-4-1-7-8-2-6-12(23)18-15(8)14(17(24)19(27-18)20(25)26)9-3-5-11(22)16(10)13(7)9/h1-6,17,19,21,23-24H,(H,25,26)
Canonical SMILES:	OC(=O)C1Oc2c(O)ccc3c2c(C1O)c1C=CC(=O)c2c1c3ccc2O
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
NPO17999	Sonneratia alba	Species	Lythraceae	Eukaryota				PMID[19835393]

Biological Activity

Activity Type	# Activity
MIC	1
Others	1

Activity Type	# Activity
Cell Line	1
Organism	1

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT1864	Cell Line	L5178Y	Mus musculus	Activity	=	45	%	18280170
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MIC	=	125	ug/ml	2681536

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 NPC469521 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	333
0.1-0.2	1255
0.2-0.3	2506
0.3-0.4	5632
0.4-0.5	7065
0.5-0.6	3071
0.6-0.7	4366
0.7-0.8	5526
0.8-0.85	1085
0.85-0.9	48
0.9-0.95	2
0.95-1	0

Similarity Score	Similarity Level	Natural Product ID
0.9497	High Similarity	NPC469472
0.907	High Similarity	NPC205721
0.8994	High Similarity	NPC47191
0.8944	High Similarity	NPC288353
0.8688	High Similarity	NPC472837
0.8659	High Similarity	NPC167098
0.8659	High Similarity	NPC296044
0.8655	High Similarity	NPC470667
0.8655	High Similarity	NPC193377
0.8647	High Similarity	NPC4200
0.8642	High Similarity	NPC3744
0.8623	High Similarity	NPC477689
0.8613	High Similarity	NPC244903
0.8598	High Similarity	NPC279605
0.8596	High Similarity	NPC154986
0.8596	High Similarity	NPC199357
0.8588	High Similarity	NPC52598
0.858	High Similarity	NPC105591
0.858	High Similarity	NPC260266
0.858	High Similarity	NPC306011
0.858	High Similarity	NPC472838
0.8571	High Similarity	NPC221091
0.8571	High Similarity	NPC259576
0.8563	High Similarity	NPC144557
0.8563	High Similarity	NPC476247
0.8555	High Similarity	NPC477682
0.8555	High Similarity	NPC477683
0.8547	High Similarity	NPC186800
0.8545	High Similarity	NPC143328
0.8538	High Similarity	NPC262580
0.8538	High Similarity	NPC271848
0.8538	High Similarity	NPC81332
0.8538	High Similarity	NPC212038
0.8538	High Similarity	NPC289396
0.8529	High Similarity	NPC300307
0.8529	High Similarity	NPC188079
0.8528	High Similarity	NPC474533
0.8528	High Similarity	NPC474534
0.8528	High Similarity	NPC295646
0.8528	High Similarity	NPC137125
0.8528	High Similarity	NPC180388
0.8521	High Similarity	NPC477517
0.8521	High Similarity	NPC263212
0.8521	High Similarity	NPC43319
0.8519	High Similarity	NPC300329
0.8512	High Similarity	NPC134047
0.8512	High Similarity	NPC272750
0.8512	High Similarity	NPC223006
0.8512	High Similarity	NPC173729
0.8509	High Similarity	NPC472839
0.8483	Intermediate Similarity	NPC314672
0.848	Intermediate Similarity	NPC279209
0.848	Intermediate Similarity	NPC102277
0.8476	Intermediate Similarity	NPC474621
0.8476	Intermediate Similarity	NPC474622
0.8471	Intermediate Similarity	NPC218226
0.8471	Intermediate Similarity	NPC474024
0.8471	Intermediate Similarity	NPC150131
0.8466	Intermediate Similarity	NPC70320
0.8462	Intermediate Similarity	NPC471788
0.8462	Intermediate Similarity	NPC7688
0.8462	Intermediate Similarity	NPC36916
0.8462	Intermediate Similarity	NPC125039
0.8462	Intermediate Similarity	NPC7154
0.8462	Intermediate Similarity	NPC26386
0.8462	Intermediate Similarity	NPC72787
0.8462	Intermediate Similarity	NPC475888
0.8462	Intermediate Similarity	NPC58223
0.8462	Intermediate Similarity	NPC36
0.8462	Intermediate Similarity	NPC178281
0.8457	Intermediate Similarity	NPC475996
0.8452	Intermediate Similarity	NPC211107
0.8448	Intermediate Similarity	NPC217520
0.8448	Intermediate Similarity	NPC207467
0.8448	Intermediate Similarity	NPC139571
0.8448	Intermediate Similarity	NPC246877
0.8447	Intermediate Similarity	NPC58373
0.8444	Intermediate Similarity	NPC314020
0.8443	Intermediate Similarity	NPC282009
0.8443	Intermediate Similarity	NPC471744
0.8443	Intermediate Similarity	NPC472902
0.8443	Intermediate Similarity	NPC287328
0.8443	Intermediate Similarity	NPC36217
0.8443	Intermediate Similarity	NPC130955
0.8439	Intermediate Similarity	NPC81042
0.8439	Intermediate Similarity	NPC98667
0.8439	Intermediate Similarity	NPC34267
0.8439	Intermediate Similarity	NPC232412
0.8439	Intermediate Similarity	NPC223426
0.8439	Intermediate Similarity	NPC214621
0.8439	Intermediate Similarity	NPC86809
0.8439	Intermediate Similarity	NPC245975
0.8434	Intermediate Similarity	NPC52530
0.843	Intermediate Similarity	NPC472454
0.843	Intermediate Similarity	NPC257667
0.843	Intermediate Similarity	NPC186847
0.843	Intermediate Similarity	NPC473113
0.843	Intermediate Similarity	NPC472620
0.8421	Intermediate Similarity	NPC163130
0.8421	Intermediate Similarity	NPC216403
0.8421	Intermediate Similarity	NPC473095
0.8421	Intermediate Similarity	NPC165979
0.8421	Intermediate Similarity	NPC472619
0.8421	Intermediate Similarity	NPC41494
0.8421	Intermediate Similarity	NPC473096
0.8421	Intermediate Similarity	NPC476279
0.8421	Intermediate Similarity	NPC186100
0.8418	Intermediate Similarity	NPC112380
0.8415	Intermediate Similarity	NPC474656
0.8412	Intermediate Similarity	NPC178173
0.8412	Intermediate Similarity	NPC272502
0.8409	Intermediate Similarity	NPC476203
0.8405	Intermediate Similarity	NPC31132
0.8405	Intermediate Similarity	NPC58310
0.8405	Intermediate Similarity	NPC295977
0.8402	Intermediate Similarity	NPC474240
0.8402	Intermediate Similarity	NPC472625
0.8402	Intermediate Similarity	NPC290160
0.8402	Intermediate Similarity	NPC186686
0.84	Intermediate Similarity	NPC212290
0.84	Intermediate Similarity	NPC473785
0.8393	Intermediate Similarity	NPC289771
0.8393	Intermediate Similarity	NPC112418
0.8393	Intermediate Similarity	NPC471499
0.8393	Intermediate Similarity	NPC97812
0.8393	Intermediate Similarity	NPC142252
0.8393	Intermediate Similarity	NPC216916
0.8391	Intermediate Similarity	NPC61904
0.8391	Intermediate Similarity	NPC469345
0.8391	Intermediate Similarity	NPC144097
0.8383	Intermediate Similarity	NPC85121
0.8383	Intermediate Similarity	NPC22192
0.8382	Intermediate Similarity	NPC470336
0.8382	Intermediate Similarity	NPC476374
0.8382	Intermediate Similarity	NPC470335
0.838	Intermediate Similarity	NPC201814
0.8373	Intermediate Similarity	NPC13858
0.8373	Intermediate Similarity	NPC326037
0.8373	Intermediate Similarity	NPC227062
0.8373	Intermediate Similarity	NPC320825
0.8372	Intermediate Similarity	NPC476365
0.8372	Intermediate Similarity	NPC313304
0.8371	Intermediate Similarity	NPC174486
0.8371	Intermediate Similarity	NPC269625
0.8364	Intermediate Similarity	NPC474000
0.8364	Intermediate Similarity	NPC475770
0.8364	Intermediate Similarity	NPC256346
0.8364	Intermediate Similarity	NPC325028
0.8364	Intermediate Similarity	NPC246328
0.8364	Intermediate Similarity	NPC27532
0.8363	Intermediate Similarity	NPC234331
0.8363	Intermediate Similarity	NPC298847
0.8363	Intermediate Similarity	NPC283041
0.8363	Intermediate Similarity	NPC473094
0.8362	Intermediate Similarity	NPC231254
0.8354	Intermediate Similarity	NPC302783
0.8354	Intermediate Similarity	NPC473201
0.8354	Intermediate Similarity	NPC118427
0.8353	Intermediate Similarity	NPC303174
0.8353	Intermediate Similarity	NPC293319
0.8353	Intermediate Similarity	NPC62261
0.8352	Intermediate Similarity	NPC208069
0.8344	Intermediate Similarity	NPC261322
0.8343	Intermediate Similarity	NPC37668
0.8343	Intermediate Similarity	NPC253521
0.8343	Intermediate Similarity	NPC146837
0.8343	Intermediate Similarity	NPC470334
0.8343	Intermediate Similarity	NPC201800
0.8343	Intermediate Similarity	NPC113836
0.8343	Intermediate Similarity	NPC101116
0.8343	Intermediate Similarity	NPC278329
0.8343	Intermediate Similarity	NPC35167
0.8343	Intermediate Similarity	NPC472964
0.8343	Intermediate Similarity	NPC144843
0.8343	Intermediate Similarity	NPC212099
0.8343	Intermediate Similarity	NPC474034
0.8343	Intermediate Similarity	NPC471745
0.8343	Intermediate Similarity	NPC477895
0.8343	Intermediate Similarity	NPC474033
0.8333	Intermediate Similarity	NPC472962
0.8333	Intermediate Similarity	NPC294149
0.8333	Intermediate Similarity	NPC473630
0.8333	Intermediate Similarity	NPC470326
0.8333	Intermediate Similarity	NPC321399
0.8333	Intermediate Similarity	NPC472961
0.8333	Intermediate Similarity	NPC264302
0.8324	Intermediate Similarity	NPC114550
0.8324	Intermediate Similarity	NPC471920
0.8324	Intermediate Similarity	NPC158226
0.8324	Intermediate Similarity	NPC67134
0.8324	Intermediate Similarity	NPC292712
0.8324	Intermediate Similarity	NPC312006
0.8324	Intermediate Similarity	NPC471921
0.8324	Intermediate Similarity	NPC47140
0.8324	Intermediate Similarity	NPC474075
0.8324	Intermediate Similarity	NPC260263
0.8324	Intermediate Similarity	NPC129930
0.8324	Intermediate Similarity	NPC471922
0.8324	Intermediate Similarity	NPC20114
0.8324	Intermediate Similarity	NPC476370

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC469521 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	347
0.1-0.2	900
0.2-0.3	1701
0.3-0.4	2565
0.4-0.5	1948
0.5-0.6	1053
0.6-0.7	474
0.7-0.8	151
0.8-0.85	21
0.85-0.9	1
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.8529	High Similarity	NPD5844	Phase 1
0.8466	Intermediate Similarity	NPD8397	Clinical (unspecified phase)
0.8462	Intermediate Similarity	NPD6167	Clinical (unspecified phase)
0.8462	Intermediate Similarity	NPD6168	Clinical (unspecified phase)
0.8462	Intermediate Similarity	NPD6166	Phase 2
0.8286	Intermediate Similarity	NPD8313	Approved
0.8286	Intermediate Similarity	NPD8312	Approved
0.8235	Intermediate Similarity	NPD6232	Discontinued
0.8198	Intermediate Similarity	NPD7473	Discontinued
0.8193	Intermediate Similarity	NPD1934	Approved
0.8176	Intermediate Similarity	NPD6959	Discontinued
0.8155	Intermediate Similarity	NPD4868	Clinical (unspecified phase)
0.8144	Intermediate Similarity	NPD2393	Clinical (unspecified phase)
0.8125	Intermediate Similarity	NPD4338	Clinical (unspecified phase)
0.8121	Intermediate Similarity	NPD5808	Clinical (unspecified phase)
0.8114	Intermediate Similarity	NPD7993	Clinical (unspecified phase)
0.8107	Intermediate Similarity	NPD7075	Discontinued
0.8066	Intermediate Similarity	NPD7879	Clinical (unspecified phase)
0.8036	Intermediate Similarity	NPD7096	Clinical (unspecified phase)
0.8036	Intermediate Similarity	NPD1465	Phase 2
0.8011	Intermediate Similarity	NPD6797	Phase 2
0.8	Intermediate Similarity	NPD2346	Discontinued
0.7988	Intermediate Similarity	NPD3817	Phase 2
0.7976	Intermediate Similarity	NPD6801	Discontinued
0.7966	Intermediate Similarity	NPD7251	Discontinued
0.7966	Intermediate Similarity	NPD6559	Discontinued
0.7955	Intermediate Similarity	NPD7074	Phase 3
0.7943	Intermediate Similarity	NPD3751	Discontinued
0.7941	Intermediate Similarity	NPD3882	Suspended
0.7921	Intermediate Similarity	NPD7808	Phase 3
0.7904	Intermediate Similarity	NPD3226	Approved
0.7898	Intermediate Similarity	NPD7054	Approved
0.7882	Intermediate Similarity	NPD5402	Approved
0.7857	Intermediate Similarity	NPD4380	Phase 2
0.7853	Intermediate Similarity	NPD7472	Approved
0.7845	Intermediate Similarity	NPD8150	Discontinued
0.7841	Intermediate Similarity	NPD3818	Discontinued
0.7831	Intermediate Similarity	NPD1512	Approved
0.7824	Intermediate Similarity	NPD7819	Suspended
0.7797	Intermediate Similarity	NPD7804	Clinical (unspecified phase)
0.7784	Intermediate Similarity	NPD5403	Approved
0.7771	Intermediate Similarity	NPD5401	Approved
0.7751	Intermediate Similarity	NPD6599	Discontinued
0.7744	Intermediate Similarity	NPD3750	Approved
0.7733	Intermediate Similarity	NPD7768	Phase 2
0.7727	Intermediate Similarity	NPD7852	Clinical (unspecified phase)
0.7719	Intermediate Similarity	NPD2801	Approved
0.7716	Intermediate Similarity	NPD5404	Approved
0.7716	Intermediate Similarity	NPD5408	Approved
0.7716	Intermediate Similarity	NPD5405	Approved
0.7716	Intermediate Similarity	NPD5406	Approved
0.7711	Intermediate Similarity	NPD1511	Approved
0.7706	Intermediate Similarity	NPD7411	Suspended
0.7701	Intermediate Similarity	NPD5494	Approved
0.7692	Intermediate Similarity	NPD8055	Clinical (unspecified phase)
0.7688	Intermediate Similarity	NPD3749	Approved
0.7688	Intermediate Similarity	NPD4381	Clinical (unspecified phase)
0.7665	Intermediate Similarity	NPD7422	Clinical (unspecified phase)
0.7644	Intermediate Similarity	NPD919	Approved
0.7644	Intermediate Similarity	NPD7435	Discontinued
0.7636	Intermediate Similarity	NPD4628	Phase 3
0.7636	Intermediate Similarity	NPD7003	Approved
0.7616	Intermediate Similarity	NPD8455	Phase 2
0.7614	Intermediate Similarity	NPD3787	Discontinued
0.7607	Intermediate Similarity	NPD2935	Discontinued
0.7605	Intermediate Similarity	NPD6799	Approved
0.7576	Intermediate Similarity	NPD7421	Clinical (unspecified phase)
0.7572	Intermediate Similarity	NPD8443	Clinical (unspecified phase)
0.756	Intermediate Similarity	NPD4378	Clinical (unspecified phase)
0.756	Intermediate Similarity	NPD7004	Clinical (unspecified phase)
0.7542	Intermediate Similarity	NPD7228	Approved
0.7516	Intermediate Similarity	NPD4060	Phase 1
0.7515	Intermediate Similarity	NPD1549	Phase 2
0.75	Intermediate Similarity	NPD2313	Discontinued
0.75	Intermediate Similarity	NPD6798	Discontinued
0.7487	Intermediate Similarity	NPD6777	Approved
0.7487	Intermediate Similarity	NPD6778	Approved
0.7487	Intermediate Similarity	NPD6782	Approved
0.7487	Intermediate Similarity	NPD6779	Approved
0.7487	Intermediate Similarity	NPD6780	Approved
0.7487	Intermediate Similarity	NPD6781	Approved
0.7487	Intermediate Similarity	NPD6776	Approved
0.7485	Intermediate Similarity	NPD6190	Approved
0.7469	Intermediate Similarity	NPD447	Suspended
0.7458	Intermediate Similarity	NPD8127	Discontinued
0.7455	Intermediate Similarity	NPD1550	Clinical (unspecified phase)
0.7455	Intermediate Similarity	NPD1552	Clinical (unspecified phase)
0.7449	Intermediate Similarity	NPD8151	Discontinued
0.7443	Intermediate Similarity	NPD6234	Discontinued
0.7439	Intermediate Similarity	NPD2799	Discontinued
0.7439	Intermediate Similarity	NPD3748	Approved
0.7425	Intermediate Similarity	NPD8166	Discontinued
0.7412	Intermediate Similarity	NPD6273	Approved
0.7411	Intermediate Similarity	NPD7874	Approved
0.7411	Intermediate Similarity	NPD7875	Clinical (unspecified phase)
0.7394	Intermediate Similarity	NPD1551	Phase 2
0.7384	Intermediate Similarity	NPD7458	Discontinued
0.7374	Intermediate Similarity	NPD7782	Clinical (unspecified phase)
0.7374	Intermediate Similarity	NPD7184	Clinical (unspecified phase)
0.7374	Intermediate Similarity	NPD7783	Phase 2
0.7366	Intermediate Similarity	NPD8434	Phase 2
0.7362	Intermediate Similarity	NPD1933	Approved
0.736	Intermediate Similarity	NPD1247	Approved
0.7356	Intermediate Similarity	NPD37	Approved
0.7353	Intermediate Similarity	NPD7410	Clinical (unspecified phase)
0.7353	Intermediate Similarity	NPD2533	Approved
0.7353	Intermediate Similarity	NPD2534	Approved
0.7353	Intermediate Similarity	NPD2532	Approved
0.7346	Intermediate Similarity	NPD6233	Phase 2
0.7333	Intermediate Similarity	NPD7870	Phase 2
0.7333	Intermediate Similarity	NPD7871	Phase 2
0.733	Intermediate Similarity	NPD4967	Phase 2
0.733	Intermediate Similarity	NPD4966	Approved
0.733	Intermediate Similarity	NPD4965	Approved
0.7301	Intermediate Similarity	NPD1612	Clinical (unspecified phase)
0.7301	Intermediate Similarity	NPD1613	Approved
0.7294	Intermediate Similarity	NPD7390	Discontinued
0.7282	Intermediate Similarity	NPD7697	Approved
0.7282	Intermediate Similarity	NPD7696	Phase 3
0.7282	Intermediate Similarity	NPD7698	Approved
0.7263	Intermediate Similarity	NPD7199	Phase 2
0.7262	Intermediate Similarity	NPD6674	Discontinued
0.7256	Intermediate Similarity	NPD6355	Discontinued
0.7253	Intermediate Similarity	NPD7177	Discontinued
0.7245	Intermediate Similarity	NPD8320	Phase 1
0.7245	Intermediate Similarity	NPD8319	Approved
0.724	Intermediate Similarity	NPD8090	Clinical (unspecified phase)
0.7231	Intermediate Similarity	NPD6823	Phase 2
0.7229	Intermediate Similarity	NPD1510	Phase 2
0.7225	Intermediate Similarity	NPD6535	Approved
0.7225	Intermediate Similarity	NPD6534	Approved
0.7222	Intermediate Similarity	NPD7701	Phase 2
0.7202	Intermediate Similarity	NPD970	Clinical (unspecified phase)
0.7193	Intermediate Similarity	NPD6143	Clinical (unspecified phase)
0.7189	Intermediate Similarity	NPD7038	Approved
0.7189	Intermediate Similarity	NPD7039	Approved
0.7189	Intermediate Similarity	NPD7685	Pre-registration
0.7188	Intermediate Similarity	NPD1203	Approved
0.7188	Intermediate Similarity	NPD1470	Approved
0.7182	Intermediate Similarity	NPD3926	Phase 2
0.7178	Intermediate Similarity	NPD3764	Approved
0.7152	Intermediate Similarity	NPD1201	Approved
0.7152	Intermediate Similarity	NPD1547	Clinical (unspecified phase)
0.715	Intermediate Similarity	NPD5619	Clinical (unspecified phase)
0.7143	Intermediate Similarity	NPD5762	Approved
0.7143	Intermediate Similarity	NPD5763	Approved
0.7143	Intermediate Similarity	NPD2344	Approved
0.7143	Intermediate Similarity	NPD2343	Clinical (unspecified phase)
0.7136	Intermediate Similarity	NPD8155	Clinical (unspecified phase)
0.7126	Intermediate Similarity	NPD1509	Clinical (unspecified phase)
0.7126	Intermediate Similarity	NPD1653	Approved
0.7126	Intermediate Similarity	NPD651	Clinical (unspecified phase)
0.7125	Intermediate Similarity	NPD1283	Approved
0.7118	Intermediate Similarity	NPD6398	Clinical (unspecified phase)
0.7114	Intermediate Similarity	NPD7801	Approved
0.7113	Intermediate Similarity	NPD7699	Phase 2
0.7113	Intermediate Similarity	NPD7700	Phase 2
0.7108	Intermediate Similarity	NPD1607	Approved
0.7097	Intermediate Similarity	NPD7240	Approved
0.7091	Intermediate Similarity	NPD943	Approved
0.7083	Intermediate Similarity	NPD2796	Approved
0.7083	Intermediate Similarity	NPD2438	Suspended
0.7069	Intermediate Similarity	NPD6980	Clinical (unspecified phase)
0.7069	Intermediate Similarity	NPD920	Approved
0.7059	Intermediate Similarity	NPD5698	Clinical (unspecified phase)
0.7055	Intermediate Similarity	NPD1529	Clinical (unspecified phase)
0.7048	Intermediate Similarity	NPD1899	Clinical (unspecified phase)
0.7041	Intermediate Similarity	NPD7266	Discontinued
0.7041	Intermediate Similarity	NPD7501	Clinical (unspecified phase)
0.7024	Intermediate Similarity	NPD4308	Phase 3
0.7017	Intermediate Similarity	NPD4666	Phase 3
0.7012	Intermediate Similarity	NPD7095	Approved
0.7011	Intermediate Similarity	NPD5049	Phase 3
0.6994	Remote Similarity	NPD1530	Clinical (unspecified phase)
0.6988	Remote Similarity	NPD1240	Approved
0.6988	Remote Similarity	NPD2979	Phase 3
0.6979	Remote Similarity	NPD2488	Approved
0.6979	Remote Similarity	NPD2490	Approved
0.6977	Remote Similarity	NPD2309	Approved
0.697	Remote Similarity	NPD3057	Approved
0.697	Remote Similarity	NPD2491	Approved
0.697	Remote Similarity	NPD1699	Clinical (unspecified phase)
0.697	Remote Similarity	NPD3448	Approved
0.697	Remote Similarity	NPD411	Approved
0.6961	Remote Similarity	NPD5709	Phase 3
0.6959	Remote Similarity	NPD2800	Approved
0.6957	Remote Similarity	NPD4379	Clinical (unspecified phase)
0.6957	Remote Similarity	NPD4111	Phase 1
0.6957	Remote Similarity	NPD4665	Approved
0.6954	Remote Similarity	NPD7446	Clinical (unspecified phase)
0.6954	Remote Similarity	NPD642	Clinical (unspecified phase)
0.6951	Remote Similarity	NPD6832	Phase 2
0.6946	Remote Similarity	NPD230	Phase 1
0.6941	Remote Similarity	NPD1471	Phase 3
0.694	Remote Similarity	NPD5711	Approved
0.694	Remote Similarity	NPD5710	Approved
0.6937	Remote Similarity	NPD1281	Approved
0.6936	Remote Similarity	NPD643	Clinical (unspecified phase)
0.6936	Remote Similarity	NPD3300	Phase 2
0.6931	Remote Similarity	NPD3534	Clinical (unspecified phase)

Structure

NPC469521 OpenBabel07101718302D 27 31 0 0 1 0 0 0 0 0999 V2000 1.0182 3.2799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2414 2.0900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7503 0.2799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8842 3.7799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6163 0.7799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8782 1.6558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0182 2.2799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4531 1.7556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8842 0.7799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7503 3.2799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6163 1.7799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8206 0.8871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8842 1.7799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1476 0.5527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5107 0.9869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7503 2.2799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0215 -0.0000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.1261 0.5527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5107 -0.2460 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5107 -1.2460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6163 3.7799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4823 2.2799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6469 0.3238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8033 -0.6235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3553 -1.7460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3768 -1.7460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 1 7 1 0 0 0 0 2 6 2 0 0 0 0 2 8 1 0 0 0 0 3 5 2 0 0 0 0 3 9 1 0 0 0 0 4 10 1 0 0 0 0 5 11 1 0 0 0 0 6 12 1 0 0 0 0 7 8 2 0 0 0 0 7 13 1 0 0 0 0 8 15 1 0 0 0 0 9 13 2 0 0 0 0 9 14 1 0 0 0 0 10 16 2 0 0 0 0 10 21 1 0 0 0 0 11 16 1 0 0 0 0 11 22 2 0 0 0 0 12 18 2 0 0 0 0 12 23 1 0 0 0 0 13 16 1 0 0 0 0 14 15 2 0 0 0 0 14 17 1 0 0 0 0 15 18 1 0 0 0 0 17 19 1 0 0 0 0 17 24 1 0 0 0 0 18 27 1 0 0 0 0 19 20 1 0 0 0 0 19 27 1 0 0 0 0 20 25 2 0 0 0 0 20 26 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	44605530
ChEMBL	CHEMBL1082048
ZINC

Physicochemical Properties

Molecular Weight:	364.06
ALogP:	-1.885
MLogP:	2.89
XLogP:	0.843
# Rotatable Bonds:	5
Polar Surface Area:	124.29
# H-Bond Aceptor:	4
# H-Bond Donor:	4
# Rings:	5
# Heavy Atoms:	27

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