NPASS Natural Product

Natural Product: NPC148185

Natural Product ID:	NPC148185
Common Name:	Moudanpioside B
IUPAC Name:
Synonyms:	Moudanpioside B
Molecular Formula:	C31H34O14
Standard InCHIKey:	ZZDSOWSESREIGP-DYMNNOMASA-N
Standard InCHI:	InChI=1S/C31H34O14/c1-28-13-30(38)20-11-31(28,29(20,27(44-28)45-30)14-41-25(37)15-3-7-17(32)8-4-15)43-26-23(35)22(34)21(33)19(42-26)12-40-24(36)16-5-9-18(39-2)10-6-16/h3-10,19-23,26-27,32-35,38H,11-14H2,1-2H3/t19-,20-,21-,22+,23-,26+,27-,28+,29+,30-,31+/m1/s1
Canonical SMILES:	COc1ccc(cc1)C(=O)OC[C@H]1O[C@@H](O[C@@]23C[C@@H]4[C@@]3(COC(=O)c3ccc(cc3)O)[C@@H]3O[C@@]2(C)C[C@]4(O3)O)[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
NPO9798	Paeonia lactiflora	Species	Paeoniaceae	Eukaryota				TM-MC*
NPO22550	Paeonia suffruticosa	Species	Paeoniaceae	Eukaryota				TM-MC*

Biological Activity

Activity Type	# Activity
IC50	1

Activity Type	# Activity
Cell Line	1

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT113	Cell Line	RAW264.7	Mus musculus	IC50	>	100000	nM	23067550

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 NPC148185 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	283
0.1-0.2	1044
0.2-0.3	2028
0.3-0.4	3526
0.4-0.5	6417
0.5-0.6	5969
0.6-0.7	4613
0.7-0.8	6268
0.8-0.85	693
0.85-0.9	29
0.9-0.95	11
0.95-1	8

Similarity Score	Similarity Level	Natural Product ID
0.975	High Similarity	NPC88176
0.975	High Similarity	NPC469458
0.975	High Similarity	NPC149002
0.975	High Similarity	NPC469396
0.9627	High Similarity	NPC469459
0.9521	High Similarity	NPC188217
0.9512	High Similarity	NPC477617
0.9503	High Similarity	NPC120012
0.9458	High Similarity	NPC469397
0.9398	High Similarity	NPC469438
0.9379	High Similarity	NPC117943
0.9379	High Similarity	NPC293568
0.9286	High Similarity	NPC260300
0.9268	High Similarity	NPC469419
0.9207	High Similarity	NPC265600
0.9172	High Similarity	NPC80360
0.9118	High Similarity	NPC195114
0.9024	High Similarity	NPC477627
0.9	High Similarity	NPC34066
0.8947	High Similarity	NPC469418
0.8882	High Similarity	NPC469422
0.8834	High Similarity	NPC469399
0.883	High Similarity	NPC469354
0.8758	High Similarity	NPC116292
0.8758	High Similarity	NPC87630
0.8758	High Similarity	NPC267469
0.8758	High Similarity	NPC179128
0.875	High Similarity	NPC469448
0.8696	High Similarity	NPC469415
0.869	High Similarity	NPC100420
0.8671	High Similarity	NPC11062
0.8667	High Similarity	NPC477623
0.8663	High Similarity	NPC316539
0.8659	High Similarity	NPC469417
0.865	High Similarity	NPC469398
0.8642	High Similarity	NPC162569
0.8642	High Similarity	NPC35160
0.8634	High Similarity	NPC222102
0.8634	High Similarity	NPC303429
0.8614	High Similarity	NPC226759
0.8589	High Similarity	NPC133430
0.8589	High Similarity	NPC469477
0.8571	High Similarity	NPC93685
0.8571	High Similarity	NPC108191
0.8512	High Similarity	NPC79571
0.8509	High Similarity	NPC208293
0.8508	High Similarity	NPC476358
0.8506	High Similarity	NPC193377
0.8488	Intermediate Similarity	NPC21956
0.8476	Intermediate Similarity	NPC119252
0.8471	Intermediate Similarity	NPC14294
0.8471	Intermediate Similarity	NPC116759
0.8466	Intermediate Similarity	NPC254588
0.8462	Intermediate Similarity	NPC100465
0.8462	Intermediate Similarity	NPC152424
0.8457	Intermediate Similarity	NPC470330
0.8452	Intermediate Similarity	NPC8389
0.8448	Intermediate Similarity	NPC195972
0.8443	Intermediate Similarity	NPC195954
0.8443	Intermediate Similarity	NPC194499
0.8443	Intermediate Similarity	NPC88007
0.8439	Intermediate Similarity	NPC469421
0.8438	Intermediate Similarity	NPC478250
0.843	Intermediate Similarity	NPC185498
0.843	Intermediate Similarity	NPC471860
0.8424	Intermediate Similarity	NPC5115
0.8421	Intermediate Similarity	NPC469420
0.8415	Intermediate Similarity	NPC182350
0.8409	Intermediate Similarity	NPC35266
0.8395	Intermediate Similarity	NPC320734
0.8391	Intermediate Similarity	NPC471921
0.8391	Intermediate Similarity	NPC20114
0.8391	Intermediate Similarity	NPC312006
0.8391	Intermediate Similarity	NPC474075
0.8391	Intermediate Similarity	NPC292712
0.8391	Intermediate Similarity	NPC471922
0.8391	Intermediate Similarity	NPC471920
0.8391	Intermediate Similarity	NPC129930
0.8391	Intermediate Similarity	NPC114550
0.8382	Intermediate Similarity	NPC202428
0.8382	Intermediate Similarity	NPC266545
0.8372	Intermediate Similarity	NPC296558
0.8371	Intermediate Similarity	NPC186746
0.8371	Intermediate Similarity	NPC473205
0.8371	Intermediate Similarity	NPC473776
0.8363	Intermediate Similarity	NPC109990
0.8363	Intermediate Similarity	NPC471861
0.8363	Intermediate Similarity	NPC91288
0.8363	Intermediate Similarity	NPC93172
0.8363	Intermediate Similarity	NPC97574
0.8363	Intermediate Similarity	NPC161151
0.8363	Intermediate Similarity	NPC471286
0.8353	Intermediate Similarity	NPC285567
0.8353	Intermediate Similarity	NPC283209
0.8352	Intermediate Similarity	NPC196771
0.8352	Intermediate Similarity	NPC475054
0.8352	Intermediate Similarity	NPC67629
0.8352	Intermediate Similarity	NPC79736
0.8352	Intermediate Similarity	NPC475233
0.8343	Intermediate Similarity	NPC475197
0.8343	Intermediate Similarity	NPC473467
0.8333	Intermediate Similarity	NPC472803
0.8333	Intermediate Similarity	NPC298778
0.8333	Intermediate Similarity	NPC7059
0.8333	Intermediate Similarity	NPC52598
0.8333	Intermediate Similarity	NPC179240
0.8324	Intermediate Similarity	NPC82602
0.8324	Intermediate Similarity	NPC79322
0.8324	Intermediate Similarity	NPC177362
0.8324	Intermediate Similarity	NPC118086
0.8323	Intermediate Similarity	NPC241951
0.8323	Intermediate Similarity	NPC475759
0.8323	Intermediate Similarity	NPC470152
0.8323	Intermediate Similarity	NPC204644
0.8315	Intermediate Similarity	NPC477860
0.8315	Intermediate Similarity	NPC53680
0.8315	Intermediate Similarity	NPC475161
0.8315	Intermediate Similarity	NPC208797
0.8314	Intermediate Similarity	NPC475979
0.8314	Intermediate Similarity	NPC222531
0.8314	Intermediate Similarity	NPC99216
0.8314	Intermediate Similarity	NPC475738
0.8314	Intermediate Similarity	NPC294722
0.8314	Intermediate Similarity	NPC310572
0.8313	Intermediate Similarity	NPC267091
0.8313	Intermediate Similarity	NPC48671
0.8305	Intermediate Similarity	NPC267549
0.8304	Intermediate Similarity	NPC145847
0.8303	Intermediate Similarity	NPC327962
0.8295	Intermediate Similarity	NPC68381
0.8295	Intermediate Similarity	NPC474345
0.8295	Intermediate Similarity	NPC84482
0.8295	Intermediate Similarity	NPC169645
0.8294	Intermediate Similarity	NPC150943
0.8294	Intermediate Similarity	NPC68848
0.8294	Intermediate Similarity	NPC268718
0.8294	Intermediate Similarity	NPC91634
0.8294	Intermediate Similarity	NPC328093
0.8293	Intermediate Similarity	NPC66991
0.8286	Intermediate Similarity	NPC135334
0.8286	Intermediate Similarity	NPC469778
0.8286	Intermediate Similarity	NPC469774
0.8286	Intermediate Similarity	NPC295941
0.8286	Intermediate Similarity	NPC32723
0.8286	Intermediate Similarity	NPC469776
0.8286	Intermediate Similarity	NPC469775
0.8286	Intermediate Similarity	NPC469773
0.8286	Intermediate Similarity	NPC469777
0.8286	Intermediate Similarity	NPC469772
0.8286	Intermediate Similarity	NPC100925
0.8284	Intermediate Similarity	NPC104275
0.8284	Intermediate Similarity	NPC472860
0.8284	Intermediate Similarity	NPC133984
0.8284	Intermediate Similarity	NPC4747
0.8284	Intermediate Similarity	NPC187205
0.8282	Intermediate Similarity	NPC291153
0.8278	Intermediate Similarity	NPC96194
0.8278	Intermediate Similarity	NPC299855
0.8276	Intermediate Similarity	NPC475641
0.8276	Intermediate Similarity	NPC88557
0.8276	Intermediate Similarity	NPC222455
0.8276	Intermediate Similarity	NPC475237
0.8276	Intermediate Similarity	NPC294512
0.8274	Intermediate Similarity	NPC472807
0.8274	Intermediate Similarity	NPC10205
0.8272	Intermediate Similarity	NPC96903
0.8272	Intermediate Similarity	NPC177940
0.8272	Intermediate Similarity	NPC200471
0.8272	Intermediate Similarity	NPC473088
0.8272	Intermediate Similarity	NPC472568
0.8272	Intermediate Similarity	NPC469349
0.8272	Intermediate Similarity	NPC158663
0.8272	Intermediate Similarity	NPC171525
0.8272	Intermediate Similarity	NPC470157
0.8272	Intermediate Similarity	NPC472571
0.8272	Intermediate Similarity	NPC476973
0.8272	Intermediate Similarity	NPC184817
0.8272	Intermediate Similarity	NPC174982
0.8272	Intermediate Similarity	NPC472572
0.8272	Intermediate Similarity	NPC471104
0.8272	Intermediate Similarity	NPC70403
0.8272	Intermediate Similarity	NPC470159
0.8272	Intermediate Similarity	NPC29704
0.8272	Intermediate Similarity	NPC472575
0.8268	Intermediate Similarity	NPC478001
0.8266	Intermediate Similarity	NPC118162
0.8266	Intermediate Similarity	NPC255787
0.8266	Intermediate Similarity	NPC83049
0.8266	Intermediate Similarity	NPC320471
0.8266	Intermediate Similarity	NPC291742
0.8266	Intermediate Similarity	NPC306475
0.8266	Intermediate Similarity	NPC200726
0.8263	Intermediate Similarity	NPC257847
0.8263	Intermediate Similarity	NPC157898
0.8261	Intermediate Similarity	NPC163087
0.8258	Intermediate Similarity	NPC473729
0.8258	Intermediate Similarity	NPC275690
0.8258	Intermediate Similarity	NPC161609
0.8256	Intermediate Similarity	NPC277618
0.8253	Intermediate Similarity	NPC243891

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC148185 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	294
0.1-0.2	785
0.2-0.3	1531
0.3-0.4	2486
0.4-0.5	2198
0.5-0.6	1239
0.6-0.7	465
0.7-0.8	149
0.8-0.85	13
0.85-0.9	1
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.8571	High Similarity	NPD8055	Clinical (unspecified phase)
0.843	Intermediate Similarity	NPD7228	Approved
0.8235	Intermediate Similarity	NPD6234	Discontinued
0.8232	Intermediate Similarity	NPD7879	Clinical (unspecified phase)
0.8225	Intermediate Similarity	NPD4966	Approved
0.8225	Intermediate Similarity	NPD4965	Approved
0.8225	Intermediate Similarity	NPD4967	Phase 2
0.8136	Intermediate Similarity	NPD7685	Pre-registration
0.8111	Intermediate Similarity	NPD8434	Phase 2
0.8084	Intermediate Similarity	NPD7458	Discontinued
0.807	Intermediate Similarity	NPD4381	Clinical (unspecified phase)
0.8047	Intermediate Similarity	NPD37	Approved
0.8037	Intermediate Similarity	NPD4628	Phase 3
0.8034	Intermediate Similarity	NPD7240	Approved
0.7966	Intermediate Similarity	NPD5844	Phase 1
0.7944	Intermediate Similarity	NPD8313	Approved
0.7944	Intermediate Similarity	NPD8312	Approved
0.7933	Intermediate Similarity	NPD6559	Discontinued
0.7921	Intermediate Similarity	NPD7074	Phase 3
0.791	Intermediate Similarity	NPD3818	Discontinued
0.7907	Intermediate Similarity	NPD4868	Clinical (unspecified phase)
0.7892	Intermediate Similarity	NPD6143	Clinical (unspecified phase)
0.7865	Intermediate Similarity	NPD7804	Clinical (unspecified phase)
0.7865	Intermediate Similarity	NPD7054	Approved
0.7829	Intermediate Similarity	NPD7199	Phase 2
0.7824	Intermediate Similarity	NPD4380	Phase 2
0.7821	Intermediate Similarity	NPD7472	Approved
0.7801	Intermediate Similarity	NPD7435	Discontinued
0.7791	Intermediate Similarity	NPD8455	Phase 2
0.779	Intermediate Similarity	NPD4338	Clinical (unspecified phase)
0.7759	Intermediate Similarity	NPD7075	Discontinued
0.7751	Intermediate Similarity	NPD6980	Clinical (unspecified phase)
0.7735	Intermediate Similarity	NPD7251	Discontinued
0.773	Intermediate Similarity	NPD8397	Clinical (unspecified phase)
0.7692	Intermediate Similarity	NPD7808	Phase 3
0.768	Intermediate Similarity	NPD6797	Phase 2
0.7654	Intermediate Similarity	NPD7473	Discontinued
0.7644	Intermediate Similarity	NPD6781	Approved
0.7644	Intermediate Similarity	NPD6777	Approved
0.7644	Intermediate Similarity	NPD6782	Approved
0.7644	Intermediate Similarity	NPD6778	Approved
0.7644	Intermediate Similarity	NPD6779	Approved
0.7644	Intermediate Similarity	NPD6780	Approved
0.7644	Intermediate Similarity	NPD6776	Approved
0.764	Intermediate Similarity	NPD7184	Clinical (unspecified phase)
0.7636	Intermediate Similarity	NPD7266	Discontinued
0.7633	Intermediate Similarity	NPD7004	Clinical (unspecified phase)
0.7627	Intermediate Similarity	NPD8127	Discontinued
0.7611	Intermediate Similarity	NPD7799	Discontinued
0.7592	Intermediate Similarity	NPD7237	Clinical (unspecified phase)
0.7588	Intermediate Similarity	NPD6273	Approved
0.7586	Intermediate Similarity	NPD7096	Clinical (unspecified phase)
0.7586	Intermediate Similarity	NPD7819	Suspended
0.7584	Intermediate Similarity	NPD6232	Discontinued
0.7569	Intermediate Similarity	NPD8470	Clinical (unspecified phase)
0.7563	Intermediate Similarity	NPD7875	Clinical (unspecified phase)
0.7563	Intermediate Similarity	NPD7874	Approved
0.756	Intermediate Similarity	NPD6190	Approved
0.7543	Intermediate Similarity	NPD8443	Clinical (unspecified phase)
0.7527	Intermediate Similarity	NPD8150	Discontinued
0.7526	Intermediate Similarity	NPD7680	Approved
0.7526	Intermediate Similarity	NPD7697	Approved
0.7526	Intermediate Similarity	NPD7497	Discontinued
0.7526	Intermediate Similarity	NPD7696	Phase 3
0.7526	Intermediate Similarity	NPD7698	Approved
0.7513	Intermediate Similarity	NPD8151	Discontinued
0.75	Intermediate Similarity	NPD6167	Clinical (unspecified phase)
0.75	Intermediate Similarity	NPD6166	Phase 2
0.75	Intermediate Similarity	NPD6168	Clinical (unspecified phase)
0.7487	Intermediate Similarity	NPD7870	Phase 2
0.7487	Intermediate Similarity	NPD7871	Phase 2
0.7486	Intermediate Similarity	NPD2393	Clinical (unspecified phase)
0.7486	Intermediate Similarity	NPD7993	Clinical (unspecified phase)
0.7474	Intermediate Similarity	NPD6823	Phase 2
0.7472	Intermediate Similarity	NPD5494	Approved
0.7471	Intermediate Similarity	NPD7411	Suspended
0.7462	Intermediate Similarity	NPD7701	Phase 2
0.744	Intermediate Similarity	NPD7421	Clinical (unspecified phase)
0.7437	Intermediate Similarity	NPD7801	Approved
0.7437	Intermediate Similarity	NPD7782	Clinical (unspecified phase)
0.7437	Intermediate Similarity	NPD7783	Phase 2
0.7429	Intermediate Similarity	NPD6801	Discontinued
0.7429	Intermediate Similarity	NPD1934	Approved
0.7418	Intermediate Similarity	NPD3751	Discontinued
0.7414	Intermediate Similarity	NPD6599	Discontinued
0.7398	Intermediate Similarity	NPD8319	Approved
0.7398	Intermediate Similarity	NPD8320	Phase 1
0.7396	Intermediate Similarity	NPD6398	Clinical (unspecified phase)
0.7396	Intermediate Similarity	NPD7003	Approved
0.7386	Intermediate Similarity	NPD5761	Phase 2
0.7386	Intermediate Similarity	NPD1465	Phase 2
0.7386	Intermediate Similarity	NPD5760	Phase 2
0.7382	Intermediate Similarity	NPD6534	Approved
0.7382	Intermediate Similarity	NPD6535	Approved
0.7362	Intermediate Similarity	NPD3764	Approved
0.736	Intermediate Similarity	NPD7999	Approved
0.736	Intermediate Similarity	NPD3749	Approved
0.7358	Intermediate Similarity	NPD7700	Phase 2
0.7358	Intermediate Similarity	NPD7699	Phase 2
0.7356	Intermediate Similarity	NPD5808	Clinical (unspecified phase)
0.7333	Intermediate Similarity	NPD6959	Discontinued
0.7327	Intermediate Similarity	NPD7930	Approved
0.7326	Intermediate Similarity	NPD8407	Phase 2
0.7326	Intermediate Similarity	NPD2533	Approved
0.7326	Intermediate Similarity	NPD2532	Approved
0.7326	Intermediate Similarity	NPD2534	Approved
0.7326	Intermediate Similarity	NPD7090	Clinical (unspecified phase)
0.7314	Intermediate Similarity	NPD7028	Phase 2
0.7308	Intermediate Similarity	NPD7852	Clinical (unspecified phase)
0.7303	Intermediate Similarity	NPD7768	Phase 2
0.7301	Intermediate Similarity	NPD5952	Clinical (unspecified phase)
0.7299	Intermediate Similarity	NPD1653	Approved
0.7294	Intermediate Similarity	NPD8166	Discontinued
0.7294	Intermediate Similarity	NPD3750	Approved
0.7293	Intermediate Similarity	NPD3787	Discontinued
0.7263	Intermediate Similarity	NPD8361	Approved
0.7263	Intermediate Similarity	NPD8360	Approved
0.7262	Intermediate Similarity	NPD2935	Discontinued
0.7258	Intermediate Similarity	NPD8368	Discontinued
0.7255	Intermediate Similarity	NPD8404	Phase 2
0.7247	Intermediate Similarity	NPD3817	Phase 2
0.7247	Intermediate Similarity	NPD5402	Approved
0.7246	Intermediate Similarity	NPD7097	Phase 1
0.7235	Intermediate Similarity	NPD6674	Discontinued
0.7225	Intermediate Similarity	NPD7410	Clinical (unspecified phase)
0.7209	Intermediate Similarity	NPD7236	Approved
0.7207	Intermediate Similarity	NPD3882	Suspended
0.72	Intermediate Similarity	NPD7585	Approved
0.7198	Intermediate Similarity	NPD8155	Clinical (unspecified phase)
0.7191	Intermediate Similarity	NPD2801	Approved
0.7176	Intermediate Similarity	NPD1549	Phase 2
0.7176	Intermediate Similarity	NPD970	Clinical (unspecified phase)
0.7173	Intermediate Similarity	NPD8435	Approved
0.7168	Intermediate Similarity	NPD6799	Approved
0.7166	Intermediate Similarity	NPD6765	Approved
0.7166	Intermediate Similarity	NPD6764	Approved
0.716	Intermediate Similarity	NPD6099	Approved
0.716	Intermediate Similarity	NPD6100	Approved
0.7159	Intermediate Similarity	NPD3226	Approved
0.715	Intermediate Similarity	NPD7583	Approved
0.7143	Intermediate Similarity	NPD5403	Approved
0.7126	Intermediate Similarity	NPD6355	Discontinued
0.7126	Intermediate Similarity	NPD4378	Clinical (unspecified phase)
0.7118	Intermediate Similarity	NPD1552	Clinical (unspecified phase)
0.7118	Intermediate Similarity	NPD1550	Clinical (unspecified phase)
0.7102	Intermediate Similarity	NPD7239	Suspended
0.7101	Intermediate Similarity	NPD1510	Phase 2
0.7068	Intermediate Similarity	NPD8424	Clinical (unspecified phase)
0.7065	Intermediate Similarity	NPD7584	Approved
0.7062	Intermediate Similarity	NPD6214	Clinical (unspecified phase)
0.7062	Intermediate Similarity	NPD6213	Phase 3
0.7062	Intermediate Similarity	NPD6212	Phase 3
0.7048	Intermediate Similarity	NPD6859	Clinical (unspecified phase)
0.7029	Intermediate Similarity	NPD5401	Approved
0.7024	Intermediate Similarity	NPD230	Phase 1
0.702	Intermediate Similarity	NPD8486	Clinical (unspecified phase)
0.7016	Intermediate Similarity	NPD6784	Approved
0.7016	Intermediate Similarity	NPD6785	Approved
0.7011	Intermediate Similarity	NPD7229	Phase 3
0.7006	Intermediate Similarity	NPD6233	Phase 2
0.7006	Intermediate Similarity	NPD6663	Approved
0.7	Intermediate Similarity	NPD7033	Discontinued
0.7	Intermediate Similarity	NPD3748	Approved
0.6994	Remote Similarity	NPD1878	Clinical (unspecified phase)
0.6988	Remote Similarity	NPD7095	Approved
0.6982	Remote Similarity	NPD1607	Approved
0.6971	Remote Similarity	NPD1511	Approved
0.6967	Remote Similarity	NPD5619	Clinical (unspecified phase)
0.6964	Remote Similarity	NPD1240	Approved
0.6959	Remote Similarity	NPD2438	Suspended
0.6959	Remote Similarity	NPD2796	Approved
0.6948	Remote Similarity	NPD8058	Clinical (unspecified phase)
0.6948	Remote Similarity	NPD8059	Phase 3
0.6946	Remote Similarity	NPD6798	Discontinued
0.694	Remote Similarity	NPD5537	Clinical (unspecified phase)
0.6919	Remote Similarity	NPD6003	Clinical (unspecified phase)
0.6919	Remote Similarity	NPD5710	Approved
0.6919	Remote Similarity	NPD6005	Phase 3
0.6919	Remote Similarity	NPD6006	Clinical (unspecified phase)
0.6919	Remote Similarity	NPD5711	Approved
0.6919	Remote Similarity	NPD6002	Phase 3
0.6919	Remote Similarity	NPD2346	Discontinued
0.6919	Remote Similarity	NPD6004	Phase 3
0.6901	Remote Similarity	NPD2799	Discontinued
0.6897	Remote Similarity	NPD4109	Clinical (unspecified phase)
0.6897	Remote Similarity	NPD4110	Phase 3
0.6893	Remote Similarity	NPD1512	Approved
0.6893	Remote Similarity	NPD7314	Clinical (unspecified phase)
0.6875	Remote Similarity	NPD9545	Approved
0.6871	Remote Similarity	NPD3972	Approved
0.6871	Remote Similarity	NPD1608	Approved
0.6869	Remote Similarity	NPD8090	Clinical (unspecified phase)
0.6869	Remote Similarity	NPD8485	Approved
0.6867	Remote Similarity	NPD5736	Approved
0.6864	Remote Similarity	NPD4060	Phase 1
0.6864	Remote Similarity	NPD7966	Clinical (unspecified phase)
0.6864	Remote Similarity	NPD4140	Approved
0.6862	Remote Similarity	NPD7177	Discontinued
0.686	Remote Similarity	NPD1551	Phase 2
0.6847	Remote Similarity	NPD7211	Clinical (unspecified phase)

Structure

CID148185 OpenBabel06191715522D 45 51 0 0 1 0 0 0 0 0999 V2000 0.5663 -0.5580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7620 -1.2812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4763 0.0928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1474 -1.6077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3114 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4262 -1.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4581 -0.0971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1292 -1.7976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1967 -0.5111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3114 -2.0444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7167 -1.6559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7705 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0274 -3.0632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4898 -2.1731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8210 -0.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4262 -0.5111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7846 -1.0423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1967 -1.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8852 -0.5111 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4579 -2.6218 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8852 -1.5333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0000 -2.0444 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8852 -1.5333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5409 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1608 -0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8852 -0.5111 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0526 -3.2016 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.2315 -1.5003 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.4920 -2.3630 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.5103 -3.6204 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7508 -1.3971 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.7664 -1.2322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7705 -2.0444 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -3.0666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7705 -2.0444 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5409 1.0222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4873 0.4727 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4100 -4.0569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0819 -2.0444 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6557 -0.5111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8162 -1.2278 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 -1.7705 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6332 -2.4026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5767 -3.9788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 28 1 0 0 0 0 2 39 1 0 0 0 0 3 7 1 0 0 0 0 3 15 2 0 0 0 0 4 8 2 0 0 0 0 4 15 1 0 0 0 0 5 9 1 0 0 0 0 5 16 2 0 0 0 0 6 10 2 0 0 0 0 6 16 1 0 0 0 0 7 17 2 0 0 0 0 8 17 1 0 0 0 0 9 18 2 0 0 0 0 10 18 1 0 0 0 0 11 20 1 0 0 0 0 11 31 1 0 0 0 0 12 40 1 0 0 0 0 13 28 1 0 0 0 0 13 30 1 0 0 0 0 14 29 1 0 0 0 0 14 41 1 0 0 0 0 15 25 1 0 0 0 0 16 24 1 0 0 0 0 17 32 1 0 0 0 0 18 39 1 0 0 0 0 19 12 1 6 0 0 0 19 21 1 0 0 0 0 19 42 1 0 0 0 0 20 29 1 6 0 0 0 20 30 1 0 0 0 0 21 22 1 0 0 0 0 21 33 1 1 0 0 0 22 23 1 0 0 0 0 22 34 1 6 0 0 0 23 26 1 0 0 0 0 23 35 1 1 0 0 0 24 36 2 0 0 0 0 24 40 1 0 0 0 0 25 37 2 0 0 0 0 25 41 1 0 0 0 0 26 42 1 0 0 0 0 26 43 1 6 0 0 0 27 29 1 1 0 0 0 27 44 1 0 0 0 0 27 45 1 0 0 0 0 28 31 1 1 0 0 0 28 44 1 0 0 0 0 29 31 1 6 0 0 0 30 38 1 6 0 0 0 30 45 1 0 0 0 0 31 43 1 1 0 0 0 M END $$$$

External Identifiers

PubChem CID	21631102
ChEMBL	CHEMBL2205292
ZINC

Physicochemical Properties

Molecular Weight:	630.19
ALogP:	-3.5341
MLogP:	3.33
XLogP:	1.604
# Rotatable Bonds:	18
Polar Surface Area:	199.9
# H-Bond Aceptor:	12
# H-Bond Donor:	5
# Rings:	6
# Heavy Atoms:	45

Download Data

Data Type	Select
General Info & Identifiers & Properties
Structure MOL file
Source Organisms
Biological Activities
Similar NPs/Drugs