NPASS Natural Product

Natural Product: NPC306816

Natural Product ID:	NPC306816
Common Name:	Palmarumycin Cp2
IUPAC Name:
Synonyms:	Palmarumycin CP2
Molecular Formula:	C20H14O4
Standard InCHIKey:	BGMMZNMDIABGHL-UHFFFAOYSA-N
Standard InCHI:	InChI=1S/C20H14O4/c21-14-7-3-6-13-19(14)15(22)10-11-20(13)23-16-8-1-4-12-5-2-9-17(24-20)18(12)16/h1-9,21H,10-11H2
Canonical SMILES:	O=C1CCC2(c3c1c(O)ccc3)Oc1cccc3c1c(O2)ccc3
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
NPO32660	edenia sp.	Species	Pleosporaceae	Eukaryota		Panamanian		PMID[19007286]

Biological Activity

Activity Type	# Activity
IC50	4
Others	1

Activity Type	# Activity
Cell Line	1
Organism	3
Others	1

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT633	Organism	Leishmania donovani	Leishmania donovani	IC50	=	3930	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Ratio IC50	=	41		20100877
NPT189	Cell Line	Vero	Chlorocebus aethiops	IC50	=	162000	nM	20100877
NPT6	Organism	Plasmodium falciparum	Plasmodium falciparum	IC50	>	10000	nM	16792412
NPT580	Organism	Trypanosoma cruzi	Trypanosoma cruzi	IC50	=	18500	nM	17887720

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 NPC306816 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	311
0.1-0.2	1322
0.2-0.3	2608
0.3-0.4	7101
0.4-0.5	6125
0.5-0.6	2757
0.6-0.7	5460
0.7-0.8	4901
0.8-0.85	289
0.85-0.9	9
0.9-0.95	4
0.95-1	2

Similarity Score	Similarity Level	Natural Product ID
0.9856	High Similarity	NPC301949
0.9784	High Similarity	NPC47152
0.9366	High Similarity	NPC473951
0.906	High Similarity	NPC57141
0.9013	High Similarity	NPC73148
0.9013	High Similarity	NPC472157
0.8889	High Similarity	NPC197461
0.8889	High Similarity	NPC133585
0.8881	High Similarity	NPC473499
0.8836	High Similarity	NPC97662
0.8699	High Similarity	NPC257404
0.8523	High Similarity	NPC11800
0.8523	High Similarity	NPC206579
0.8511	High Similarity	NPC141549
0.8509	High Similarity	NPC85368
0.8462	Intermediate Similarity	NPC292863
0.8462	Intermediate Similarity	NPC184326
0.8442	Intermediate Similarity	NPC254351
0.844	Intermediate Similarity	NPC7569
0.844	Intermediate Similarity	NPC278787
0.8425	Intermediate Similarity	NPC18457
0.8411	Intermediate Similarity	NPC35150
0.8411	Intermediate Similarity	NPC106328
0.8408	Intermediate Similarity	NPC18380
0.8408	Intermediate Similarity	NPC137232
0.84	Intermediate Similarity	NPC211565
0.8397	Intermediate Similarity	NPC183402
0.8397	Intermediate Similarity	NPC195167
0.8392	Intermediate Similarity	NPC138940
0.8385	Intermediate Similarity	NPC472160
0.8385	Intermediate Similarity	NPC472159
0.8378	Intermediate Similarity	NPC69755
0.8366	Intermediate Similarity	NPC39819
0.8365	Intermediate Similarity	NPC11608
0.8365	Intermediate Similarity	NPC297404
0.8355	Intermediate Similarity	NPC70764
0.8344	Intermediate Similarity	NPC71055
0.8323	Intermediate Similarity	NPC137460
0.8322	Intermediate Similarity	NPC310340
0.8312	Intermediate Similarity	NPC281272
0.8311	Intermediate Similarity	NPC145673
0.8311	Intermediate Similarity	NPC275734
0.8303	Intermediate Similarity	NPC153578
0.8303	Intermediate Similarity	NPC114257
0.8303	Intermediate Similarity	NPC299149
0.8303	Intermediate Similarity	NPC277710
0.8302	Intermediate Similarity	NPC290160
0.8301	Intermediate Similarity	NPC227122
0.8301	Intermediate Similarity	NPC325983
0.8301	Intermediate Similarity	NPC470107
0.8301	Intermediate Similarity	NPC295036
0.8282	Intermediate Similarity	NPC24748
0.8282	Intermediate Similarity	NPC59491
0.8282	Intermediate Similarity	NPC203751
0.828	Intermediate Similarity	NPC18699
0.828	Intermediate Similarity	NPC55443
0.828	Intermediate Similarity	NPC193749
0.828	Intermediate Similarity	NPC177650
0.8278	Intermediate Similarity	NPC60389
0.8273	Intermediate Similarity	NPC193805
0.8269	Intermediate Similarity	NPC137100
0.8261	Intermediate Similarity	NPC103633
0.8258	Intermediate Similarity	NPC178964
0.8258	Intermediate Similarity	NPC95842
0.8258	Intermediate Similarity	NPC185103
0.8258	Intermediate Similarity	NPC280530
0.8252	Intermediate Similarity	NPC137264
0.8247	Intermediate Similarity	NPC115324
0.8247	Intermediate Similarity	NPC138299
0.8247	Intermediate Similarity	NPC23668
0.8247	Intermediate Similarity	NPC111112
0.8247	Intermediate Similarity	NPC193976
0.8247	Intermediate Similarity	NPC222713
0.8247	Intermediate Similarity	NPC67322
0.8239	Intermediate Similarity	NPC146837
0.8239	Intermediate Similarity	NPC278329
0.8239	Intermediate Similarity	NPC216752
0.8239	Intermediate Similarity	NPC101116
0.8239	Intermediate Similarity	NPC212099
0.8232	Intermediate Similarity	NPC472158
0.8228	Intermediate Similarity	NPC312993
0.8228	Intermediate Similarity	NPC186325
0.8224	Intermediate Similarity	NPC12305
0.8217	Intermediate Similarity	NPC177742
0.8212	Intermediate Similarity	NPC131766
0.8212	Intermediate Similarity	NPC32470
0.821	Intermediate Similarity	NPC222455
0.8205	Intermediate Similarity	NPC66441
0.8205	Intermediate Similarity	NPC166054
0.8205	Intermediate Similarity	NPC99199
0.8205	Intermediate Similarity	NPC134171
0.8205	Intermediate Similarity	NPC182555
0.8205	Intermediate Similarity	NPC201227
0.8205	Intermediate Similarity	NPC300668
0.8205	Intermediate Similarity	NPC55662
0.8205	Intermediate Similarity	NPC258474
0.82	Intermediate Similarity	NPC169479
0.82	Intermediate Similarity	NPC159855
0.8194	Intermediate Similarity	NPC142308
0.8194	Intermediate Similarity	NPC473967
0.8194	Intermediate Similarity	NPC474843
0.8194	Intermediate Similarity	NPC207624
0.8182	Intermediate Similarity	NPC289876
0.8182	Intermediate Similarity	NPC115998
0.8182	Intermediate Similarity	NPC102053
0.8182	Intermediate Similarity	NPC101991
0.8182	Intermediate Similarity	NPC39753
0.8176	Intermediate Similarity	NPC273467
0.8176	Intermediate Similarity	NPC472261
0.8176	Intermediate Similarity	NPC189552
0.8163	Intermediate Similarity	NPC477534
0.8158	Intermediate Similarity	NPC267509
0.8155	Intermediate Similarity	NPC231254
0.8153	Intermediate Similarity	NPC198489
0.8153	Intermediate Similarity	NPC32867
0.8153	Intermediate Similarity	NPC61112
0.8153	Intermediate Similarity	NPC469507
0.8153	Intermediate Similarity	NPC13879
0.8153	Intermediate Similarity	NPC309648
0.8153	Intermediate Similarity	NPC69531
0.8146	Intermediate Similarity	NPC113770
0.8141	Intermediate Similarity	NPC135522
0.8141	Intermediate Similarity	NPC235333
0.8141	Intermediate Similarity	NPC92153
0.8141	Intermediate Similarity	NPC71061
0.8141	Intermediate Similarity	NPC279281
0.8141	Intermediate Similarity	NPC329844
0.8141	Intermediate Similarity	NPC72425
0.8141	Intermediate Similarity	NPC194593
0.8141	Intermediate Similarity	NPC303485
0.8141	Intermediate Similarity	NPC299761
0.8141	Intermediate Similarity	NPC290830
0.8141	Intermediate Similarity	NPC230439
0.8138	Intermediate Similarity	NPC477536
0.8138	Intermediate Similarity	NPC128216
0.8137	Intermediate Similarity	NPC178281
0.8137	Intermediate Similarity	NPC474591
0.8133	Intermediate Similarity	NPC105648
0.8129	Intermediate Similarity	NPC149085
0.8129	Intermediate Similarity	NPC58668
0.8129	Intermediate Similarity	NPC106372
0.8125	Intermediate Similarity	NPC3448
0.8125	Intermediate Similarity	NPC15374
0.8125	Intermediate Similarity	NPC477239
0.8121	Intermediate Similarity	NPC3718
0.8121	Intermediate Similarity	NPC470667
0.8117	Intermediate Similarity	NPC473978
0.8117	Intermediate Similarity	NPC10027
0.8117	Intermediate Similarity	NPC65775
0.8117	Intermediate Similarity	NPC288840
0.8117	Intermediate Similarity	NPC291746
0.8113	Intermediate Similarity	NPC328093
0.8112	Intermediate Similarity	NPC197425
0.8107	Intermediate Similarity	NPC87583
0.8105	Intermediate Similarity	NPC150215
0.8105	Intermediate Similarity	NPC259632
0.8101	Intermediate Similarity	NPC271741
0.8101	Intermediate Similarity	NPC268360
0.8101	Intermediate Similarity	NPC287789
0.8101	Intermediate Similarity	NPC67197
0.8099	Intermediate Similarity	NPC470841
0.8098	Intermediate Similarity	NPC300307
0.8095	Intermediate Similarity	NPC141934
0.8092	Intermediate Similarity	NPC303185
0.8092	Intermediate Similarity	NPC98926
0.8092	Intermediate Similarity	NPC311144
0.8092	Intermediate Similarity	NPC155144
0.8092	Intermediate Similarity	NPC469764
0.8092	Intermediate Similarity	NPC469408
0.8092	Intermediate Similarity	NPC184649
0.8089	Intermediate Similarity	NPC159707
0.8089	Intermediate Similarity	NPC215203
0.8089	Intermediate Similarity	NPC150908
0.8089	Intermediate Similarity	NPC226656
0.8089	Intermediate Similarity	NPC297531
0.8089	Intermediate Similarity	NPC213936
0.8089	Intermediate Similarity	NPC121649
0.8089	Intermediate Similarity	NPC248739
0.8089	Intermediate Similarity	NPC158027
0.8089	Intermediate Similarity	NPC14606
0.8089	Intermediate Similarity	NPC205026
0.8089	Intermediate Similarity	NPC148938
0.8089	Intermediate Similarity	NPC265624
0.8089	Intermediate Similarity	NPC186227
0.8089	Intermediate Similarity	NPC66508
0.8089	Intermediate Similarity	NPC52611
0.8089	Intermediate Similarity	NPC100049
0.8086	Intermediate Similarity	NPC272560
0.8086	Intermediate Similarity	NPC30027
0.8084	Intermediate Similarity	NPC121888
0.8084	Intermediate Similarity	NPC58538
0.8079	Intermediate Similarity	NPC73028
0.8077	Intermediate Similarity	NPC217447
0.8077	Intermediate Similarity	NPC174086
0.8075	Intermediate Similarity	NPC159508
0.8072	Intermediate Similarity	NPC475246
0.8072	Intermediate Similarity	NPC92403
0.8072	Intermediate Similarity	NPC170018
0.8072	Intermediate Similarity	NPC66820
0.8072	Intermediate Similarity	NPC76112

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC306816 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	319
0.1-0.2	961
0.2-0.3	1362
0.3-0.4	2574
0.4-0.5	2057
0.5-0.6	1323
0.6-0.7	413
0.7-0.8	142
0.8-0.85	10
0.85-0.9	0
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.8356	Intermediate Similarity	NPD2346	Discontinued
0.8217	Intermediate Similarity	NPD3749	Approved
0.8176	Intermediate Similarity	NPD6959	Discontinued
0.8085	Intermediate Similarity	NPD1203	Approved
0.8072	Intermediate Similarity	NPD8312	Approved
0.8072	Intermediate Similarity	NPD8313	Approved
0.8067	Intermediate Similarity	NPD3750	Approved
0.8056	Intermediate Similarity	NPD2313	Discontinued
0.8	Intermediate Similarity	NPD3226	Approved
0.8	Intermediate Similarity	NPD5808	Clinical (unspecified phase)
0.7927	Intermediate Similarity	NPD3751	Discontinued
0.7908	Intermediate Similarity	NPD1511	Approved
0.7902	Intermediate Similarity	NPD2798	Approved
0.7901	Intermediate Similarity	NPD3787	Discontinued
0.7875	Intermediate Similarity	NPD4381	Clinical (unspecified phase)
0.7867	Intermediate Similarity	NPD2344	Approved
0.7867	Intermediate Similarity	NPD1552	Clinical (unspecified phase)
0.7867	Intermediate Similarity	NPD1550	Clinical (unspecified phase)
0.7815	Intermediate Similarity	NPD1549	Phase 2
0.7812	Intermediate Similarity	NPD7768	Phase 2
0.7806	Intermediate Similarity	NPD1512	Approved
0.7805	Intermediate Similarity	NPD7852	Clinical (unspecified phase)
0.78	Intermediate Similarity	NPD2935	Discontinued
0.7799	Intermediate Similarity	NPD7819	Suspended
0.7771	Intermediate Similarity	NPD7054	Approved
0.777	Intermediate Similarity	NPD1933	Approved
0.777	Intermediate Similarity	NPD447	Suspended
0.775	Intermediate Similarity	NPD8443	Clinical (unspecified phase)
0.7746	Intermediate Similarity	NPD9717	Approved
0.7742	Intermediate Similarity	NPD4378	Clinical (unspecified phase)
0.7742	Intermediate Similarity	NPD7410	Clinical (unspecified phase)
0.7736	Intermediate Similarity	NPD1934	Approved
0.7733	Intermediate Similarity	NPD3748	Approved
0.7733	Intermediate Similarity	NPD2799	Discontinued
0.7725	Intermediate Similarity	NPD7074	Phase 3
0.7725	Intermediate Similarity	NPD7472	Approved
0.7712	Intermediate Similarity	NPD1878	Clinical (unspecified phase)
0.7708	Intermediate Similarity	NPD1470	Approved
0.7697	Intermediate Similarity	NPD970	Clinical (unspecified phase)
0.7697	Intermediate Similarity	NPD6168	Clinical (unspecified phase)
0.7697	Intermediate Similarity	NPD6166	Phase 2
0.7697	Intermediate Similarity	NPD6167	Clinical (unspecified phase)
0.7688	Intermediate Similarity	NPD2801	Approved
0.7688	Intermediate Similarity	NPD2393	Clinical (unspecified phase)
0.7683	Intermediate Similarity	NPD6232	Discontinued
0.7682	Intermediate Similarity	NPD1551	Phase 2
0.7682	Intermediate Similarity	NPD5408	Approved
0.7682	Intermediate Similarity	NPD5406	Approved
0.7682	Intermediate Similarity	NPD5404	Approved
0.7682	Intermediate Similarity	NPD5405	Approved
0.7679	Intermediate Similarity	NPD6797	Phase 2
0.7677	Intermediate Similarity	NPD7390	Discontinued
0.7676	Intermediate Similarity	NPD1547	Clinical (unspecified phase)
0.7676	Intermediate Similarity	NPD1201	Approved
0.7673	Intermediate Similarity	NPD7411	Suspended
0.7662	Intermediate Similarity	NPD2309	Approved
0.7651	Intermediate Similarity	NPD7473	Discontinued
0.7651	Intermediate Similarity	NPD1899	Clinical (unspecified phase)
0.764	Intermediate Similarity	NPD5402	Approved
0.7633	Intermediate Similarity	NPD6559	Discontinued
0.7633	Intermediate Similarity	NPD7251	Discontinued
0.7616	Intermediate Similarity	NPD1510	Phase 2
0.7605	Intermediate Similarity	NPD3818	Discontinued
0.7597	Intermediate Similarity	NPD7003	Approved
0.7593	Intermediate Similarity	NPD4868	Clinical (unspecified phase)
0.7588	Intermediate Similarity	NPD4338	Clinical (unspecified phase)
0.7588	Intermediate Similarity	NPD7808	Phase 3
0.7586	Intermediate Similarity	NPD2797	Approved
0.7578	Intermediate Similarity	NPD1465	Phase 2
0.7568	Intermediate Similarity	NPD3268	Approved
0.7568	Intermediate Similarity	NPD411	Approved
0.756	Intermediate Similarity	NPD7804	Clinical (unspecified phase)
0.7551	Intermediate Similarity	NPD6832	Phase 2
0.7543	Intermediate Similarity	NPD7879	Clinical (unspecified phase)
0.7529	Intermediate Similarity	NPD8397	Clinical (unspecified phase)
0.7516	Intermediate Similarity	NPD7004	Clinical (unspecified phase)
0.75	Intermediate Similarity	NPD4380	Phase 2
0.75	Intermediate Similarity	NPD405	Clinical (unspecified phase)
0.75	Intermediate Similarity	NPD4308	Phase 3
0.7467	Intermediate Similarity	NPD1240	Approved
0.7456	Intermediate Similarity	NPD5844	Phase 1
0.745	Intermediate Similarity	NPD3764	Approved
0.7421	Intermediate Similarity	NPD5403	Approved
0.7407	Intermediate Similarity	NPD6844	Discontinued
0.7405	Intermediate Similarity	NPD5401	Approved
0.7403	Intermediate Similarity	NPD2343	Clinical (unspecified phase)
0.7397	Intermediate Similarity	NPD3225	Approved
0.7386	Intermediate Similarity	NPD1509	Clinical (unspecified phase)
0.7378	Intermediate Similarity	NPD3882	Suspended
0.7368	Intermediate Similarity	NPD7993	Clinical (unspecified phase)
0.7368	Intermediate Similarity	NPD1607	Approved
0.7362	Intermediate Similarity	NPD8455	Phase 2
0.7347	Intermediate Similarity	NPD3267	Approved
0.7347	Intermediate Similarity	NPD3266	Approved
0.7338	Intermediate Similarity	NPD6100	Approved
0.7338	Intermediate Similarity	NPD6099	Approved
0.7338	Intermediate Similarity	NPD2796	Approved
0.7333	Intermediate Similarity	NPD7075	Discontinued
0.7329	Intermediate Similarity	NPD7458	Discontinued
0.7317	Intermediate Similarity	NPD3817	Phase 2
0.7308	Intermediate Similarity	NPD2800	Approved
0.7308	Intermediate Similarity	NPD7421	Clinical (unspecified phase)
0.7296	Intermediate Similarity	NPD2533	Approved
0.7296	Intermediate Similarity	NPD2534	Approved
0.7296	Intermediate Similarity	NPD2532	Approved
0.7267	Intermediate Similarity	NPD4625	Phase 3
0.7261	Intermediate Similarity	NPD6398	Clinical (unspecified phase)
0.7256	Intermediate Similarity	NPD7096	Clinical (unspecified phase)
0.7254	Intermediate Similarity	NPD9493	Approved
0.7253	Intermediate Similarity	NPD6780	Approved
0.7253	Intermediate Similarity	NPD6781	Approved
0.7253	Intermediate Similarity	NPD6777	Approved
0.7253	Intermediate Similarity	NPD6776	Approved
0.7253	Intermediate Similarity	NPD6778	Approved
0.7253	Intermediate Similarity	NPD6779	Approved
0.7253	Intermediate Similarity	NPD6782	Approved
0.725	Intermediate Similarity	NPD6273	Approved
0.7246	Intermediate Similarity	NPD5494	Approved
0.7237	Intermediate Similarity	NPD4307	Phase 2
0.7233	Intermediate Similarity	NPD6799	Approved
0.7232	Intermediate Similarity	NPD4287	Approved
0.72	Intermediate Similarity	NPD4908	Phase 1
0.7189	Intermediate Similarity	NPD7871	Phase 2
0.7189	Intermediate Similarity	NPD7870	Phase 2
0.7181	Intermediate Similarity	NPD1019	Discontinued
0.7179	Intermediate Similarity	NPD1471	Phase 3
0.7174	Intermediate Similarity	NPD6823	Phase 2
0.7143	Intermediate Similarity	NPD7783	Phase 2
0.7143	Intermediate Similarity	NPD1481	Phase 2
0.7143	Intermediate Similarity	NPD7782	Clinical (unspecified phase)
0.7143	Intermediate Similarity	NPD1608	Approved
0.7135	Intermediate Similarity	NPD7698	Approved
0.7135	Intermediate Similarity	NPD7435	Discontinued
0.7135	Intermediate Similarity	NPD7696	Phase 3
0.7135	Intermediate Similarity	NPD7697	Approved
0.7128	Intermediate Similarity	NPD8151	Discontinued
0.7124	Intermediate Similarity	NPD943	Approved
0.7114	Intermediate Similarity	NPD1164	Approved
0.7108	Intermediate Similarity	NPD4288	Approved
0.7108	Intermediate Similarity	NPD2296	Approved
0.7105	Intermediate Similarity	NPD4907	Clinical (unspecified phase)
0.7093	Intermediate Similarity	NPD7177	Discontinued
0.7081	Intermediate Similarity	NPD7422	Clinical (unspecified phase)
0.7075	Intermediate Similarity	NPD1535	Discovery
0.7073	Intermediate Similarity	NPD6599	Discontinued
0.7051	Intermediate Similarity	NPD651	Clinical (unspecified phase)
0.7047	Intermediate Similarity	NPD1283	Approved
0.7019	Intermediate Similarity	NPD6143	Clinical (unspecified phase)
0.7017	Intermediate Similarity	NPD6212	Phase 3
0.7017	Intermediate Similarity	NPD6213	Phase 3
0.7017	Intermediate Similarity	NPD6214	Clinical (unspecified phase)
0.7	Intermediate Similarity	NPD7199	Phase 2
0.6994	Remote Similarity	NPD6980	Clinical (unspecified phase)
0.6994	Remote Similarity	NPD7228	Approved
0.6994	Remote Similarity	NPD920	Approved
0.6993	Remote Similarity	NPD6798	Discontinued
0.6993	Remote Similarity	NPD6859	Clinical (unspecified phase)
0.6988	Remote Similarity	NPD6801	Discontinued
0.6988	Remote Similarity	NPD37	Approved
0.6987	Remote Similarity	NPD7097	Phase 1
0.6984	Remote Similarity	NPD7701	Phase 2
0.6982	Remote Similarity	NPD6234	Discontinued
0.6981	Remote Similarity	NPD1243	Approved
0.6978	Remote Similarity	NPD6535	Approved
0.6978	Remote Similarity	NPD6534	Approved
0.6975	Remote Similarity	NPD642	Clinical (unspecified phase)
0.6974	Remote Similarity	NPD1529	Clinical (unspecified phase)
0.6964	Remote Similarity	NPD4965	Approved
0.6964	Remote Similarity	NPD4967	Phase 2
0.6964	Remote Similarity	NPD4966	Approved
0.6959	Remote Similarity	NPD1611	Approved
0.6959	Remote Similarity	NPD1610	Phase 2
0.6959	Remote Similarity	NPD7229	Phase 3
0.6957	Remote Similarity	NPD7440	Discontinued
0.6948	Remote Similarity	NPD6233	Phase 2
0.6944	Remote Similarity	NPD709	Approved
0.6944	Remote Similarity	NPD6671	Approved
0.6939	Remote Similarity	NPD17	Approved
0.6933	Remote Similarity	NPD1876	Approved
0.6929	Remote Similarity	NPD74	Approved
0.6929	Remote Similarity	NPD9266	Approved
0.6927	Remote Similarity	NPD8150	Discontinued
0.6919	Remote Similarity	NPD7184	Clinical (unspecified phase)
0.6919	Remote Similarity	NPD3926	Phase 2
0.6911	Remote Similarity	NPD7874	Approved
0.6911	Remote Similarity	NPD7875	Clinical (unspecified phase)
0.6908	Remote Similarity	NPD1530	Clinical (unspecified phase)
0.6903	Remote Similarity	NPD4060	Phase 1
0.6892	Remote Similarity	NPD3496	Discontinued
0.689	Remote Similarity	NPD7427	Discontinued
0.6875	Remote Similarity	NPD7801	Approved
0.6871	Remote Similarity	NPD1651	Approved
0.6867	Remote Similarity	NPD4749	Approved
0.6867	Remote Similarity	NPD6585	Discontinued
0.6865	Remote Similarity	NPD7699	Phase 2
0.6865	Remote Similarity	NPD7700	Phase 2
0.686	Remote Similarity	NPD5711	Approved
0.686	Remote Similarity	NPD5710	Approved
0.6857	Remote Similarity	NPD9263	Approved
0.6857	Remote Similarity	NPD9264	Approved

Structure

NPC306816 OpenBabel07101719512D 24 28 0 0 0 0 0 0 0 0999 V2000 3.1631 0.9757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4311 -2.0243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6744 -1.2313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1631 -0.0243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2971 -1.5243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8084 -0.7313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5405 -0.7313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2971 1.4757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5651 -1.5243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8084 2.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0576 1.7687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2971 -0.5243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8084 0.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5405 0.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6744 1.7687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4311 0.9757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5651 -0.5243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4311 -0.0243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6744 0.7687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0576 0.7687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4065 0.7687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5405 2.2687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6945 1.2029 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 8 1 0 0 0 0 2 5 2 0 0 0 0 2 9 1 0 0 0 0 3 6 2 0 0 0 0 3 7 1 0 0 0 0 4 12 1 0 0 0 0 5 12 1 0 0 0 0 6 13 1 0 0 0 0 7 14 2 0 0 0 0 8 16 2 0 0 0 0 9 17 2 0 0 0 0 10 11 1 0 0 0 0 10 15 1 0 0 0 0 11 20 1 0 0 0 0 12 18 2 0 0 0 0 13 19 2 0 0 0 0 13 20 1 0 0 0 0 14 19 1 0 0 0 0 14 21 1 0 0 0 0 15 19 1 0 0 0 0 15 22 2 0 0 0 0 16 18 1 0 0 0 0 16 23 1 0 0 0 0 17 18 1 0 0 0 0 17 24 1 0 0 0 0 20 23 1 0 0 0 0 20 24 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	9995992
ChEMBL	CHEMBL511169
ZINC

Physicochemical Properties

Molecular Weight:	318.09
ALogP:	-1.2655
MLogP:	3.22
XLogP:	4.112
# Rotatable Bonds:	1
Polar Surface Area:	55.76
# H-Bond Aceptor:	1
# H-Bond Donor:	1
# Rings:	5
# Heavy Atoms:	24

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