NPASS Natural Product

Natural Product: NPC276231

Natural Product ID:	NPC276231
Common Name:	Conocurvone
IUPAC Name:
Synonyms:	Conocurvone
Molecular Formula:	C60H56O11
Standard InCHIKey:	IJDNMADFCZSLQD-UPMPAGDASA-N
Standard InCHI:	InChI=1S/C60H56O11/c1-31(2)13-10-25-58(7)28-22-34-40(69-58)19-16-37-43(34)53(64)47(49-52(63)39-18-21-42-36(45(39)55(66)57(49)68)24-30-60(9,71-42)27-12-15-33(5)6)46(50(37)61)48-51(62)38-17-20-41-35(44(38)54(65)56(48)67)23-29-59(8,70-41)26-11-14-32(3)4/h13-24,28-30,67-68H,10-12,25-27H2,1-9H3/t58-,59-,60-/m1/s1
Canonical SMILES:	CC(=CCC[C@]1(C)C=Cc2c(O1)ccc1c2C(=O)C(=C(C1=O)C1=C(O)C(=O)c2c(C1=O)ccc1c2C=C[C@@](O1)(C)CCC=C(C)C)C1=C(O)C(=O)c2c(C1=O)ccc1c2C=C[C@@](O1)(C)CCC=C(C)C)C
First Find Year:
Max Developmental Stage:
Synthetic Gene Cluster:	;

Species Source

Organism ID	Organism Name	Taxonomy Level	Family	SuperKingdom	Collection Location	Reference
NPO6980	Acmella decumbens	Species	Asteraceae	Eukaryota		UNPD*
NPO32966	conospermum proteaceae	Species	Proteaceae	Eukaryota	Western Austrilia	PMID[11430019]
NPO1492	Ellisella robusta	Species	Ellisellidae	Eukaryota		UNPD*
NPO1001	Diplogelasinospora grovesii	Species	Sordariaceae	Eukaryota		UNPD*
NPO12768	Melicope octandra	Species	Rutaceae	Eukaryota		UNPD*
NPO8130	Eldana saccharina	Species	Pyralidae	Eukaryota		UNPD*
NPO21876	Trichosanthes cucumeroides	Species	Cucurbitaceae	Eukaryota		UNPD*

Biological Activity

Activity Type	# Activity
EC50	3
Others	1

Activity Type	# Activity
Organism	2
Others	2

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT24	Organism	Human immunodeficiency virus 1	Human immunodeficiency virus 1	EC50	=	20	nM	11430019
NPT2	Others	Unspecified		EC50	=	250		11430019
NPT963	Organism	Hepatitis B virus	Hepatitis B virus	EC50	>	10000	nM	21333535
NPT2	Others	Unspecified		CC50	>	100000	nM	21333535

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 NPC276231 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	337
0.1-0.2	1335
0.2-0.3	2317
0.3-0.4	5856
0.4-0.5	7298
0.5-0.6	3276
0.6-0.7	5517
0.7-0.8	4768
0.8-0.85	182
0.85-0.9	3
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Natural Product ID
0.8662	High Similarity	NPC27615
0.8543	High Similarity	NPC470407
0.8526	High Similarity	NPC472841
0.8405	Intermediate Similarity	NPC103816
0.8405	Intermediate Similarity	NPC472261
0.8405	Intermediate Similarity	NPC61382
0.8395	Intermediate Similarity	NPC18699
0.8395	Intermediate Similarity	NPC55443
0.8385	Intermediate Similarity	NPC56049
0.8385	Intermediate Similarity	NPC54830
0.8373	Intermediate Similarity	NPC76647
0.8354	Intermediate Similarity	NPC65775
0.8354	Intermediate Similarity	NPC10027
0.8344	Intermediate Similarity	NPC312993
0.8333	Intermediate Similarity	NPC201127
0.8323	Intermediate Similarity	NPC254351
0.8323	Intermediate Similarity	NPC472840
0.8323	Intermediate Similarity	NPC54903
0.8323	Intermediate Similarity	NPC286074
0.8313	Intermediate Similarity	NPC17274
0.8313	Intermediate Similarity	NPC120857
0.8313	Intermediate Similarity	NPC85047
0.8313	Intermediate Similarity	NPC45934
0.8293	Intermediate Similarity	NPC189552
0.8293	Intermediate Similarity	NPC273467
0.8291	Intermediate Similarity	NPC474107
0.8289	Intermediate Similarity	NPC186647
0.8282	Intermediate Similarity	NPC177650
0.8278	Intermediate Similarity	NPC22644
0.8272	Intermediate Similarity	NPC470352
0.8272	Intermediate Similarity	NPC470354
0.8261	Intermediate Similarity	NPC329844
0.8261	Intermediate Similarity	NPC214632
0.825	Intermediate Similarity	NPC230848
0.8239	Intermediate Similarity	NPC80370
0.8232	Intermediate Similarity	NPC121647
0.8232	Intermediate Similarity	NPC186325
0.8214	Intermediate Similarity	NPC20734
0.821	Intermediate Similarity	NPC275575
0.821	Intermediate Similarity	NPC166054
0.821	Intermediate Similarity	NPC55662
0.821	Intermediate Similarity	NPC66508
0.821	Intermediate Similarity	NPC226656
0.8205	Intermediate Similarity	NPC53016
0.8199	Intermediate Similarity	NPC40356
0.8199	Intermediate Similarity	NPC154683
0.8199	Intermediate Similarity	NPC142527
0.8193	Intermediate Similarity	NPC469395
0.8176	Intermediate Similarity	NPC469393
0.8176	Intermediate Similarity	NPC472839
0.8166	Intermediate Similarity	NPC193698
0.816	Intermediate Similarity	NPC192587
0.816	Intermediate Similarity	NPC288353
0.8155	Intermediate Similarity	NPC470341
0.8155	Intermediate Similarity	NPC324522
0.8155	Intermediate Similarity	NPC105414
0.8155	Intermediate Similarity	NPC472058
0.8155	Intermediate Similarity	NPC234497
0.8155	Intermediate Similarity	NPC286230
0.8155	Intermediate Similarity	NPC253730
0.8153	Intermediate Similarity	NPC471451
0.8148	Intermediate Similarity	NPC280530
0.8148	Intermediate Similarity	NPC178964
0.8148	Intermediate Similarity	NPC95842
0.8148	Intermediate Similarity	NPC210942
0.8148	Intermediate Similarity	NPC169990
0.8144	Intermediate Similarity	NPC469664
0.8141	Intermediate Similarity	NPC201297
0.8137	Intermediate Similarity	NPC48671
0.8137	Intermediate Similarity	NPC189773
0.8137	Intermediate Similarity	NPC478148
0.8133	Intermediate Similarity	NPC475144
0.8129	Intermediate Similarity	NPC477991
0.8129	Intermediate Similarity	NPC477992
0.8125	Intermediate Similarity	NPC288840
0.8125	Intermediate Similarity	NPC269420
0.8125	Intermediate Similarity	NPC291746
0.8121	Intermediate Similarity	NPC472052
0.8121	Intermediate Similarity	NPC284495
0.8121	Intermediate Similarity	NPC470342
0.8121	Intermediate Similarity	NPC195136
0.8121	Intermediate Similarity	NPC472060
0.8113	Intermediate Similarity	NPC166757
0.8113	Intermediate Similarity	NPC14001
0.811	Intermediate Similarity	NPC268360
0.811	Intermediate Similarity	NPC474637
0.8105	Intermediate Similarity	NPC471670
0.8101	Intermediate Similarity	NPC278175
0.8101	Intermediate Similarity	NPC478019
0.8101	Intermediate Similarity	NPC179970
0.8101	Intermediate Similarity	NPC257236
0.8098	Intermediate Similarity	NPC248739
0.8098	Intermediate Similarity	NPC14606
0.8098	Intermediate Similarity	NPC205026
0.8098	Intermediate Similarity	NPC265624
0.8098	Intermediate Similarity	NPC100049
0.8098	Intermediate Similarity	NPC52611
0.8098	Intermediate Similarity	NPC158027
0.8098	Intermediate Similarity	NPC159707
0.8098	Intermediate Similarity	NPC215203
0.8098	Intermediate Similarity	NPC121649
0.8098	Intermediate Similarity	NPC150908
0.8098	Intermediate Similarity	NPC186227
0.8095	Intermediate Similarity	NPC251336
0.8086	Intermediate Similarity	NPC470353
0.8075	Intermediate Similarity	NPC140133
0.8075	Intermediate Similarity	NPC473466
0.8075	Intermediate Similarity	NPC477914
0.8072	Intermediate Similarity	NPC219686
0.807	Intermediate Similarity	NPC154986
0.8065	Intermediate Similarity	NPC1268
0.8063	Intermediate Similarity	NPC244407
0.8063	Intermediate Similarity	NPC266572
0.8061	Intermediate Similarity	NPC90497
0.8061	Intermediate Similarity	NPC474373
0.8061	Intermediate Similarity	NPC105584
0.8061	Intermediate Similarity	NPC324736
0.8061	Intermediate Similarity	NPC228654
0.8052	Intermediate Similarity	NPC301341
0.8052	Intermediate Similarity	NPC290601
0.805	Intermediate Similarity	NPC220418
0.8049	Intermediate Similarity	NPC478223
0.8038	Intermediate Similarity	NPC308006
0.8038	Intermediate Similarity	NPC472836
0.8038	Intermediate Similarity	NPC477913
0.8037	Intermediate Similarity	NPC324447
0.8037	Intermediate Similarity	NPC303485
0.8037	Intermediate Similarity	NPC194593
0.8037	Intermediate Similarity	NPC290830
0.8037	Intermediate Similarity	NPC72425
0.8037	Intermediate Similarity	NPC71061
0.8036	Intermediate Similarity	NPC472057
0.8036	Intermediate Similarity	NPC156432
0.8036	Intermediate Similarity	NPC472051
0.8036	Intermediate Similarity	NPC169471
0.8035	Intermediate Similarity	NPC478000
0.8026	Intermediate Similarity	NPC470406
0.8025	Intermediate Similarity	NPC149526
0.8025	Intermediate Similarity	NPC111112
0.8025	Intermediate Similarity	NPC306011
0.8025	Intermediate Similarity	NPC138299
0.8025	Intermediate Similarity	NPC222713
0.8025	Intermediate Similarity	NPC472838
0.8025	Intermediate Similarity	NPC258249
0.8025	Intermediate Similarity	NPC474417
0.8025	Intermediate Similarity	NPC69755
0.8025	Intermediate Similarity	NPC67322
0.8025	Intermediate Similarity	NPC305965
0.8024	Intermediate Similarity	NPC149389
0.8024	Intermediate Similarity	NPC477528
0.8024	Intermediate Similarity	NPC475106
0.8024	Intermediate Similarity	NPC472059
0.8012	Intermediate Similarity	NPC477529
0.8012	Intermediate Similarity	NPC472837
0.8012	Intermediate Similarity	NPC474052
0.8012	Intermediate Similarity	NPC100985
0.8012	Intermediate Similarity	NPC288036
0.8012	Intermediate Similarity	NPC97029
0.8012	Intermediate Similarity	NPC158338
0.8012	Intermediate Similarity	NPC97028
0.8012	Intermediate Similarity	NPC473978
0.8012	Intermediate Similarity	NPC226578
0.8012	Intermediate Similarity	NPC472618
0.8012	Intermediate Similarity	NPC478002
0.8012	Intermediate Similarity	NPC65589
0.8	Intermediate Similarity	NPC79469
0.8	Intermediate Similarity	NPC312929
0.8	Intermediate Similarity	NPC237635
0.8	Intermediate Similarity	NPC118027
0.8	Intermediate Similarity	NPC237418
0.8	Intermediate Similarity	NPC190648
0.8	Intermediate Similarity	NPC126767
0.8	Intermediate Similarity	NPC201731
0.8	Intermediate Similarity	NPC17101
0.8	Intermediate Similarity	NPC282390
0.8	Intermediate Similarity	NPC289042
0.8	Intermediate Similarity	NPC97716
0.8	Intermediate Similarity	NPC77903
0.8	Intermediate Similarity	NPC62735
0.8	Intermediate Similarity	NPC24673
0.8	Intermediate Similarity	NPC273843
0.8	Intermediate Similarity	NPC104406
0.8	Intermediate Similarity	NPC245584
0.8	Intermediate Similarity	NPC281137
0.8	Intermediate Similarity	NPC56433
0.7989	Intermediate Similarity	NPC121888
0.7988	Intermediate Similarity	NPC99199
0.7988	Intermediate Similarity	NPC297531
0.7988	Intermediate Similarity	NPC478161
0.7988	Intermediate Similarity	NPC213936
0.7988	Intermediate Similarity	NPC478159
0.7988	Intermediate Similarity	NPC30027
0.7987	Intermediate Similarity	NPC471473
0.7987	Intermediate Similarity	NPC141934
0.7987	Intermediate Similarity	NPC234629
0.7987	Intermediate Similarity	NPC471523
0.7987	Intermediate Similarity	NPC49282
0.7987	Intermediate Similarity	NPC311741
0.7987	Intermediate Similarity	NPC471524
0.7977	Intermediate Similarity	NPC156955

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC276231 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	356
0.1-0.2	988
0.2-0.3	1382
0.3-0.4	2572
0.4-0.5	2154
0.5-0.6	1088
0.6-0.7	473
0.7-0.8	144
0.8-0.85	4
0.85-0.9	0
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.8148	Intermediate Similarity	NPD7819	Suspended
0.8125	Intermediate Similarity	NPD3226	Approved
0.8101	Intermediate Similarity	NPD7410	Clinical (unspecified phase)
0.8013	Intermediate Similarity	NPD7421	Clinical (unspecified phase)
0.7879	Intermediate Similarity	NPD8443	Clinical (unspecified phase)
0.7875	Intermediate Similarity	NPD4378	Clinical (unspecified phase)
0.7857	Intermediate Similarity	NPD6959	Discontinued
0.7848	Intermediate Similarity	NPD3750	Approved
0.7771	Intermediate Similarity	NPD2346	Discontinued
0.7756	Intermediate Similarity	NPD3748	Approved
0.7697	Intermediate Similarity	NPD7411	Suspended
0.7674	Intermediate Similarity	NPD7473	Discontinued
0.7667	Intermediate Similarity	NPD7879	Clinical (unspecified phase)
0.7654	Intermediate Similarity	NPD8397	Clinical (unspecified phase)
0.7643	Intermediate Similarity	NPD2799	Discontinued
0.7625	Intermediate Similarity	NPD7003	Approved
0.7616	Intermediate Similarity	NPD7852	Clinical (unspecified phase)
0.7605	Intermediate Similarity	NPD7096	Clinical (unspecified phase)
0.7602	Intermediate Similarity	NPD6232	Discontinued
0.7586	Intermediate Similarity	NPD5844	Phase 1
0.7574	Intermediate Similarity	NPD7075	Discontinued
0.7574	Intermediate Similarity	NPD3749	Approved
0.7547	Intermediate Similarity	NPD2344	Approved
0.7547	Intermediate Similarity	NPD1471	Phase 3
0.7515	Intermediate Similarity	NPD7768	Phase 2
0.7514	Intermediate Similarity	NPD6166	Phase 2
0.7514	Intermediate Similarity	NPD6167	Clinical (unspecified phase)
0.7514	Intermediate Similarity	NPD6168	Clinical (unspecified phase)
0.7486	Intermediate Similarity	NPD7804	Clinical (unspecified phase)
0.7484	Intermediate Similarity	NPD2313	Discontinued
0.7484	Intermediate Similarity	NPD2796	Approved
0.7484	Intermediate Similarity	NPD3764	Approved
0.7472	Intermediate Similarity	NPD8312	Approved
0.7472	Intermediate Similarity	NPD8313	Approved
0.747	Intermediate Similarity	NPD5808	Clinical (unspecified phase)
0.747	Intermediate Similarity	NPD7458	Discontinued
0.7444	Intermediate Similarity	NPD8150	Discontinued
0.744	Intermediate Similarity	NPD6801	Discontinued
0.7429	Intermediate Similarity	NPD7177	Discontinued
0.7425	Intermediate Similarity	NPD4380	Phase 2
0.7421	Intermediate Similarity	NPD1509	Clinical (unspecified phase)
0.7412	Intermediate Similarity	NPD4868	Clinical (unspecified phase)
0.7407	Intermediate Similarity	NPD4628	Phase 3
0.7401	Intermediate Similarity	NPD7993	Clinical (unspecified phase)
0.7396	Intermediate Similarity	NPD2393	Clinical (unspecified phase)
0.7394	Intermediate Similarity	NPD6273	Approved
0.7394	Intermediate Similarity	NPD1512	Approved
0.7386	Intermediate Similarity	NPD1470	Approved
0.7378	Intermediate Similarity	NPD7390	Discontinued
0.7375	Intermediate Similarity	NPD6100	Approved
0.7375	Intermediate Similarity	NPD6099	Approved
0.7362	Intermediate Similarity	NPD2309	Approved
0.7353	Intermediate Similarity	NPD3817	Phase 2
0.7348	Intermediate Similarity	NPD8434	Phase 2
0.733	Intermediate Similarity	NPD3751	Discontinued
0.7321	Intermediate Similarity	NPD6599	Discontinued
0.7316	Intermediate Similarity	NPD7870	Phase 2
0.7316	Intermediate Similarity	NPD7871	Phase 2
0.7312	Intermediate Similarity	NPD1510	Phase 2
0.731	Intermediate Similarity	NPD3882	Suspended
0.7303	Intermediate Similarity	NPD1608	Approved
0.7301	Intermediate Similarity	NPD6398	Clinical (unspecified phase)
0.7294	Intermediate Similarity	NPD2801	Approved
0.7293	Intermediate Similarity	NPD8055	Clinical (unspecified phase)
0.7284	Intermediate Similarity	NPD1549	Phase 2
0.7283	Intermediate Similarity	NPD5494	Approved
0.7273	Intermediate Similarity	NPD6799	Approved
0.7273	Intermediate Similarity	NPD1511	Approved
0.7263	Intermediate Similarity	NPD7698	Approved
0.7263	Intermediate Similarity	NPD7696	Phase 3
0.7263	Intermediate Similarity	NPD7697	Approved
0.7257	Intermediate Similarity	NPD3926	Phase 2
0.7251	Intermediate Similarity	NPD5402	Approved
0.7229	Intermediate Similarity	NPD7004	Clinical (unspecified phase)
0.7226	Intermediate Similarity	NPD2798	Approved
0.7222	Intermediate Similarity	NPD2343	Clinical (unspecified phase)
0.7222	Intermediate Similarity	NPD7808	Phase 3
0.7222	Intermediate Similarity	NPD1552	Clinical (unspecified phase)
0.7222	Intermediate Similarity	NPD1550	Clinical (unspecified phase)
0.7215	Intermediate Similarity	NPD8032	Phase 2
0.7205	Intermediate Similarity	NPD4308	Phase 3
0.72	Intermediate Similarity	NPD7229	Phase 3
0.7197	Intermediate Similarity	NPD7095	Approved
0.7196	Intermediate Similarity	NPD6778	Approved
0.7196	Intermediate Similarity	NPD6779	Approved
0.7196	Intermediate Similarity	NPD6776	Approved
0.7196	Intermediate Similarity	NPD6777	Approved
0.7196	Intermediate Similarity	NPD6782	Approved
0.7196	Intermediate Similarity	NPD6780	Approved
0.7196	Intermediate Similarity	NPD6781	Approved
0.7193	Intermediate Similarity	NPD1465	Phase 2
0.7193	Intermediate Similarity	NPD8455	Phase 2
0.719	Intermediate Similarity	NPD3972	Approved
0.7188	Intermediate Similarity	NPD1607	Approved
0.7178	Intermediate Similarity	NPD970	Clinical (unspecified phase)
0.7173	Intermediate Similarity	NPD7435	Discontinued
0.717	Intermediate Similarity	NPD1240	Approved
0.7168	Intermediate Similarity	NPD4381	Clinical (unspecified phase)
0.7167	Intermediate Similarity	NPD7251	Discontinued
0.716	Intermediate Similarity	NPD5405	Approved
0.716	Intermediate Similarity	NPD5406	Approved
0.716	Intermediate Similarity	NPD5408	Approved
0.716	Intermediate Similarity	NPD2935	Discontinued
0.716	Intermediate Similarity	NPD5404	Approved
0.7152	Intermediate Similarity	NPD3268	Approved
0.7152	Intermediate Similarity	NPD1651	Approved
0.7152	Intermediate Similarity	NPD6859	Clinical (unspecified phase)
0.7152	Intermediate Similarity	NPD6798	Discontinued
0.7143	Intermediate Similarity	NPD5403	Approved
0.7135	Intermediate Similarity	NPD1934	Approved
0.7135	Intermediate Similarity	NPD7893	Clinical (unspecified phase)
0.7134	Intermediate Similarity	NPD2800	Approved
0.7126	Intermediate Similarity	NPD2532	Approved
0.7126	Intermediate Similarity	NPD2534	Approved
0.7126	Intermediate Similarity	NPD2533	Approved
0.7126	Intermediate Similarity	NPD5401	Approved
0.7124	Intermediate Similarity	NPD1201	Approved
0.7113	Intermediate Similarity	NPD7701	Phase 2
0.7111	Intermediate Similarity	NPD6797	Phase 2
0.7105	Intermediate Similarity	NPD17	Approved
0.7102	Intermediate Similarity	NPD3787	Discontinued
0.7097	Intermediate Similarity	NPD1876	Approved
0.7097	Intermediate Similarity	NPD1283	Approved
0.7095	Intermediate Similarity	NPD7054	Approved
0.7089	Intermediate Similarity	NPD4625	Phase 3
0.7083	Intermediate Similarity	NPD5049	Phase 3
0.7066	Intermediate Similarity	NPD6143	Clinical (unspecified phase)
0.7063	Intermediate Similarity	NPD4307	Phase 2
0.7063	Intermediate Similarity	NPD4060	Phase 1
0.7062	Intermediate Similarity	NPD7184	Clinical (unspecified phase)
0.7056	Intermediate Similarity	NPD7074	Phase 3
0.7056	Intermediate Similarity	NPD7472	Approved
0.7053	Intermediate Similarity	NPD8285	Discontinued
0.7052	Intermediate Similarity	NPD4288	Approved
0.7051	Intermediate Similarity	NPD2797	Approved
0.7048	Intermediate Similarity	NPD2354	Approved
0.7045	Intermediate Similarity	NPD8127	Discontinued
0.7044	Intermediate Similarity	NPD4907	Clinical (unspecified phase)
0.7041	Intermediate Similarity	NPD7874	Approved
0.7041	Intermediate Similarity	NPD7875	Clinical (unspecified phase)
0.7041	Intermediate Similarity	NPD6980	Clinical (unspecified phase)
0.7039	Intermediate Similarity	NPD3818	Discontinued
0.7035	Intermediate Similarity	NPD7577	Discontinued
0.703	Intermediate Similarity	NPD1243	Approved
0.7019	Intermediate Similarity	NPD6355	Discontinued
0.7005	Intermediate Similarity	NPD7801	Approved
0.7	Intermediate Similarity	NPD7699	Phase 2
0.7	Intermediate Similarity	NPD7700	Phase 2
0.6988	Remote Similarity	NPD8166	Discontinued
0.6987	Remote Similarity	NPD8651	Approved
0.6987	Remote Similarity	NPD3225	Approved
0.6978	Remote Similarity	NPD6559	Discontinued
0.6959	Remote Similarity	NPD1609	Clinical (unspecified phase)
0.6951	Remote Similarity	NPD4477	Approved
0.6951	Remote Similarity	NPD4476	Approved
0.6949	Remote Similarity	NPD7199	Phase 2
0.6949	Remote Similarity	NPD1247	Approved
0.6947	Remote Similarity	NPD8090	Clinical (unspecified phase)
0.6943	Remote Similarity	NPD3266	Approved
0.6943	Remote Similarity	NPD3267	Approved
0.6941	Remote Similarity	NPD920	Approved
0.694	Remote Similarity	NPD4338	Clinical (unspecified phase)
0.6936	Remote Similarity	NPD6844	Discontinued
0.6933	Remote Similarity	NPD7097	Phase 1
0.6932	Remote Similarity	NPD919	Approved
0.6931	Remote Similarity	NPD6535	Approved
0.6931	Remote Similarity	NPD6534	Approved
0.6923	Remote Similarity	NPD5953	Discontinued
0.6923	Remote Similarity	NPD7422	Clinical (unspecified phase)
0.6919	Remote Similarity	NPD7783	Phase 2
0.6919	Remote Similarity	NPD7782	Clinical (unspecified phase)
0.6918	Remote Similarity	NPD6832	Phase 2
0.6918	Remote Similarity	NPD4908	Phase 1
0.6909	Remote Similarity	NPD2353	Approved
0.6909	Remote Similarity	NPD2355	Clinical (unspecified phase)
0.6905	Remote Similarity	NPD3300	Phase 2
0.6904	Remote Similarity	NPD8151	Discontinued
0.6903	Remote Similarity	NPD1281	Approved
0.6903	Remote Similarity	NPD1547	Clinical (unspecified phase)
0.6897	Remote Similarity	NPD5761	Phase 2
0.6897	Remote Similarity	NPD5760	Phase 2
0.689	Remote Similarity	NPD7033	Discontinued
0.689	Remote Similarity	NPD3299	Clinical (unspecified phase)
0.6883	Remote Similarity	NPD4626	Approved
0.6872	Remote Similarity	NPD8320	Phase 1
0.6872	Remote Similarity	NPD8319	Approved
0.6871	Remote Similarity	NPD6651	Approved
0.6867	Remote Similarity	NPD1241	Discontinued
0.6857	Remote Similarity	NPD5616	Clinical (unspecified phase)
0.6857	Remote Similarity	NPD2296	Approved
0.6852	Remote Similarity	NPD2979	Phase 3
0.6845	Remote Similarity	NPD3887	Approved
0.6842	Remote Similarity	NPD7427	Discontinued
0.6826	Remote Similarity	NPD5698	Clinical (unspecified phase)
0.6824	Remote Similarity	NPD642	Clinical (unspecified phase)
0.6818	Remote Similarity	NPD5691	Approved
0.6807	Remote Similarity	NPD5762	Approved
0.6807	Remote Similarity	NPD5763	Approved
0.6805	Remote Similarity	NPD7236	Approved
0.6805	Remote Similarity	NPD643	Clinical (unspecified phase)

Structure

CID276231 OpenBabel06191716082D 71 79 0 0 1 0 0 0 0 0999 V2000 -4.3445 -4.8339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9966 -5.2766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4927 -1.6135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4927 0.0969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3240 3.0594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8427 3.9146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1471 -9.3728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4802 -1.6135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3490 1.3490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4854 -7.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4677 -1.6135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8552 2.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7872 -6.4860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9739 -0.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8427 2.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8552 -8.3938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2760 -5.4312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8552 -2.4688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7104 -8.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1312 -4.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8552 -1.4813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4208 -6.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2760 -2.4687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7104 -0.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2299 -8.1382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9739 -2.4687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3615 1.3490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2760 -7.4063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1312 -1.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7104 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0428 -5.5322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9864 -0.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3365 3.0594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5656 -7.4063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2760 -3.4562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8552 -1.4813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8552 -7.4063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4208 -4.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5656 -8.3938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1312 -3.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7104 -6.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4208 -3.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8552 -2.4688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -5.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8552 -5.4313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7104 -4.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8552 -4.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -6.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5656 -5.4312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -3.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7104 -5.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5656 -3.4562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7104 -2.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7104 -3.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7104 -3.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2760 -8.3938 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9864 -2.4687 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8552 0.4937 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8552 -7.4063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5656 -6.4187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8552 -4.4438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5656 -5.4313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5656 -2.4687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5656 -2.4688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8552 -3.4562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5656 -4.4438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4208 -8.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9864 -3.4562 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 31 1 0 0 0 0 2 31 1 0 0 0 0 3 32 1 0 0 0 0 4 32 1 0 0 0 0 5 33 1 0 0 0 0 6 33 1 0 0 0 0 10 13 1 0 0 0 0 10 25 1 0 0 0 0 11 14 1 0 0 0 0 11 26 1 0 0 0 0 12 15 1 0 0 0 0 12 27 1 0 0 0 0 13 31 2 0 0 0 0 14 32 2 0 0 0 0 15 33 2 0 0 0 0 16 19 2 0 0 0 0 16 37 1 0 0 0 0 17 20 2 0 0 0 0 17 38 1 0 0 0 0 18 21 2 0 0 0 0 18 39 1 0 0 0 0 19 40 1 0 0 0 0 20 41 1 0 0 0 0 21 42 1 0 0 0 0 22 28 2 0 0 0 0 22 34 1 0 0 0 0 23 29 2 0 0 0 0 23 35 1 0 0 0 0 24 30 2 0 0 0 0 24 36 1 0 0 0 0 25 58 1 0 0 0 0 26 59 1 0 0 0 0 27 60 1 0 0 0 0 28 58 1 0 0 0 0 29 59 1 0 0 0 0 30 60 1 0 0 0 0 34 40 2 0 0 0 0 34 43 1 0 0 0 0 35 41 2 0 0 0 0 35 44 1 0 0 0 0 36 42 2 0 0 0 0 36 45 1 0 0 0 0 37 43 2 0 0 0 0 37 50 1 0 0 0 0 38 44 2 0 0 0 0 38 51 1 0 0 0 0 39 45 2 0 0 0 0 39 52 1 0 0 0 0 40 69 1 0 0 0 0 41 70 1 0 0 0 0 42 71 1 0 0 0 0 43 53 1 0 0 0 0 44 54 1 0 0 0 0 45 55 1 0 0 0 0 46 47 2 0 0 0 0 46 48 1 0 0 0 0 46 50 1 0 0 0 0 47 49 1 0 0 0 0 47 53 1 0 0 0 0 48 51 1 0 0 0 0 48 56 2 0 0 0 0 49 52 1 0 0 0 0 49 57 2 0 0 0 0 50 61 2 0 0 0 0 51 62 2 0 0 0 0 52 63 2 0 0 0 0 53 64 2 0 0 0 0 54 56 1 0 0 0 0 54 65 2 0 0 0 0 55 57 1 0 0 0 0 55 66 2 0 0 0 0 56 67 1 0 0 0 0 57 68 1 0 0 0 0 58 7 1 1 0 0 0 58 69 1 0 0 0 0 59 8 1 6 0 0 0 59 70 1 0 0 0 0 60 9 1 6 0 0 0 60 71 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID
ChEMBL	CHEMBL509065
ZINC

Physicochemical Properties

Molecular Weight:	952.38
ALogP:	5.5191
MLogP:	6.85
XLogP:	11.277
# Rotatable Bonds:	22
Polar Surface Area:	170.57
# H-Bond Aceptor:	8
# H-Bond Donor:	2
# Rings:	9
# Heavy Atoms:	71

Download Data

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