NPASS Natural Product

Natural Product: NPC133585

Natural Product ID:	NPC133585
Common Name:	n.a.
IUPAC Name:
Synonyms:
Molecular Formula:	C20H14O5
Standard InCHIKey:	QRNNOWVUVIEQSM-ZDUSSCGKSA-N
Standard InCHI:	InChI=1S/C20H14O5/c21-12-7-8-14(23)19-18(12)13(22)9-10-20(19)24-15-5-1-3-11-4-2-6-16(25-20)17(11)15/h1-8,13,22H,9-10H2/t13-/m0/s1
Canonical SMILES:	O=C1C=CC(=O)C2=C1C1(CC[C@@H]2O)Oc2cccc3c2c(O1)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
NPT2	Others	Unspecified		Ratio IC50	=	245		24491225
NPT189	Cell Line	Vero	Chlorocebus aethiops	IC50	=	152000	nM	24491225
NPT6	Organism	Plasmodium falciparum	Plasmodium falciparum	IC50	>	10000	nM	23734721
NPT633	Organism	Leishmania donovani	Leishmania donovani	IC50	=	620	nM	11678659
NPT580	Organism	Trypanosoma cruzi	Trypanosoma cruzi	IC50	>	10000	nM	11678659

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 NPC133585 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	266
0.1-0.2	1109
0.2-0.3	2176
0.3-0.4	4941
0.4-0.5	8354
0.5-0.6	2965
0.6-0.7	5502
0.7-0.8	5498
0.8-0.85	60
0.85-0.9	12
0.9-0.95	4
0.95-1	2

Similarity Score	Similarity Level	Natural Product ID
0.9638	High Similarity	NPC257404
0.95	High Similarity	NPC97662
0.9433	High Similarity	NPC11800
0.9433	High Similarity	NPC206579
0.9424	High Similarity	NPC197461
0.9091	High Similarity	NPC47152
0.8905	High Similarity	NPC284232
0.8889	High Similarity	NPC306816
0.8857	High Similarity	NPC92932
0.8828	High Similarity	NPC473951
0.8767	High Similarity	NPC301949
0.8699	High Similarity	NPC469408
0.8611	High Similarity	NPC473499
0.8535	High Similarity	NPC175082
0.8535	High Similarity	NPC472150
0.8516	High Similarity	NPC73148
0.8511	High Similarity	NPC138940
0.8506	High Similarity	NPC472156
0.8387	Intermediate Similarity	NPC193749
0.8345	Intermediate Similarity	NPC472151
0.8313	Intermediate Similarity	NPC472152
0.8288	Intermediate Similarity	NPC193920
0.8269	Intermediate Similarity	NPC183402
0.825	Intermediate Similarity	NPC63470
0.8247	Intermediate Similarity	NPC185103
0.8239	Intermediate Similarity	NPC297404
0.8239	Intermediate Similarity	NPC11608
0.8235	Intermediate Similarity	NPC39819
0.8231	Intermediate Similarity	NPC477537
0.8228	Intermediate Similarity	NPC216752
0.8194	Intermediate Similarity	NPC57141
0.8165	Intermediate Similarity	NPC472153
0.816	Intermediate Similarity	NPC85368
0.8141	Intermediate Similarity	NPC469507
0.8137	Intermediate Similarity	NPC103633
0.8113	Intermediate Similarity	NPC278329
0.8113	Intermediate Similarity	NPC212099
0.8113	Intermediate Similarity	NPC146837
0.8113	Intermediate Similarity	NPC101116
0.8108	Intermediate Similarity	NPC477535
0.8101	Intermediate Similarity	NPC328093
0.8092	Intermediate Similarity	NPC472339
0.8092	Intermediate Similarity	NPC71055
0.8089	Intermediate Similarity	NPC474398
0.8089	Intermediate Similarity	NPC474401
0.8089	Intermediate Similarity	NPC177742
0.8089	Intermediate Similarity	NPC476026
0.8089	Intermediate Similarity	NPC474441
0.8086	Intermediate Similarity	NPC222455
0.8086	Intermediate Similarity	NPC246274
0.8085	Intermediate Similarity	NPC470841
0.8077	Intermediate Similarity	NPC267242
0.8075	Intermediate Similarity	NPC178173
0.8065	Intermediate Similarity	NPC474843
0.8065	Intermediate Similarity	NPC281272
0.8063	Intermediate Similarity	NPC120677
0.8063	Intermediate Similarity	NPC74371
0.8052	Intermediate Similarity	NPC131874
0.805	Intermediate Similarity	NPC472157
0.8039	Intermediate Similarity	NPC35150
0.8039	Intermediate Similarity	NPC106328
0.8039	Intermediate Similarity	NPC22137
0.8038	Intermediate Similarity	NPC57072
0.8038	Intermediate Similarity	NPC231475
0.8025	Intermediate Similarity	NPC164244
0.8025	Intermediate Similarity	NPC261866
0.8013	Intermediate Similarity	NPC279281
0.8013	Intermediate Similarity	NPC230439
0.8013	Intermediate Similarity	NPC299761
0.8013	Intermediate Similarity	NPC60084
0.8013	Intermediate Similarity	NPC472154
0.8013	Intermediate Similarity	NPC92153
0.8012	Intermediate Similarity	NPC99216
0.8012	Intermediate Similarity	NPC75944
0.8012	Intermediate Similarity	NPC178281
0.8	Intermediate Similarity	NPC307754
0.8	Intermediate Similarity	NPC3718
0.8	Intermediate Similarity	NPC223735
0.7988	Intermediate Similarity	NPC315619
0.7987	Intermediate Similarity	NPC292863
0.7987	Intermediate Similarity	NPC184326
0.7987	Intermediate Similarity	NPC271479
0.7986	Intermediate Similarity	NPC141549
0.7975	Intermediate Similarity	NPC313163
0.7975	Intermediate Similarity	NPC259905
0.7975	Intermediate Similarity	NPC161749
0.7975	Intermediate Similarity	NPC258035
0.7975	Intermediate Similarity	NPC197896
0.7975	Intermediate Similarity	NPC137460
0.7975	Intermediate Similarity	NPC156457
0.7974	Intermediate Similarity	NPC92054
0.7974	Intermediate Similarity	NPC140722
0.7974	Intermediate Similarity	NPC4958
0.7964	Intermediate Similarity	NPC153578
0.7964	Intermediate Similarity	NPC277710
0.7964	Intermediate Similarity	NPC299149
0.7964	Intermediate Similarity	NPC114257
0.7963	Intermediate Similarity	NPC178851
0.7961	Intermediate Similarity	NPC288531
0.7961	Intermediate Similarity	NPC469764
0.7952	Intermediate Similarity	NPC475246
0.795	Intermediate Similarity	NPC127415
0.795	Intermediate Similarity	NPC475183
0.795	Intermediate Similarity	NPC168822
0.795	Intermediate Similarity	NPC290160
0.7949	Intermediate Similarity	NPC259767
0.7949	Intermediate Similarity	NPC88484
0.7949	Intermediate Similarity	NPC473967
0.7949	Intermediate Similarity	NPC166067
0.7947	Intermediate Similarity	NPC151704
0.7947	Intermediate Similarity	NPC73028
0.7947	Intermediate Similarity	NPC310340
0.7939	Intermediate Similarity	NPC203751
0.7939	Intermediate Similarity	NPC154986
0.7939	Intermediate Similarity	NPC213052
0.7937	Intermediate Similarity	NPC303913
0.7937	Intermediate Similarity	NPC18380
0.7937	Intermediate Similarity	NPC71780
0.7937	Intermediate Similarity	NPC137232
0.7935	Intermediate Similarity	NPC325983
0.7935	Intermediate Similarity	NPC295036
0.7935	Intermediate Similarity	NPC470107
0.7935	Intermediate Similarity	NPC93619
0.7935	Intermediate Similarity	NPC475890
0.7935	Intermediate Similarity	NPC473966
0.7933	Intermediate Similarity	NPC245219
0.7933	Intermediate Similarity	NPC182421
0.7933	Intermediate Similarity	NPC145673
0.7933	Intermediate Similarity	NPC31081
0.7931	Intermediate Similarity	NPC470160
0.7925	Intermediate Similarity	NPC195167
0.7925	Intermediate Similarity	NPC186113
0.7925	Intermediate Similarity	NPC308265
0.7925	Intermediate Similarity	NPC73511
0.7919	Intermediate Similarity	NPC18457
0.7917	Intermediate Similarity	NPC7569
0.7917	Intermediate Similarity	NPC278787
0.7911	Intermediate Similarity	NPC45165
0.7911	Intermediate Similarity	NPC170475
0.7908	Intermediate Similarity	NPC469758
0.7908	Intermediate Similarity	NPC211565
0.7905	Intermediate Similarity	NPC477534
0.7901	Intermediate Similarity	NPC280923
0.7898	Intermediate Similarity	NPC260604
0.7898	Intermediate Similarity	NPC135522
0.7898	Intermediate Similarity	NPC299435
0.7898	Intermediate Similarity	NPC39360
0.7898	Intermediate Similarity	NPC83283
0.7898	Intermediate Similarity	NPC29763
0.7898	Intermediate Similarity	NPC143851
0.7898	Intermediate Similarity	NPC210003
0.7895	Intermediate Similarity	NPC271076
0.7892	Intermediate Similarity	NPC470667
0.7888	Intermediate Similarity	NPC189142
0.7888	Intermediate Similarity	NPC77660
0.7888	Intermediate Similarity	NPC22324
0.7888	Intermediate Similarity	NPC61594
0.7888	Intermediate Similarity	NPC56735
0.7885	Intermediate Similarity	NPC72958
0.7885	Intermediate Similarity	NPC232645
0.7885	Intermediate Similarity	NPC325429
0.7879	Intermediate Similarity	NPC30432
0.7879	Intermediate Similarity	NPC271385
0.7879	Intermediate Similarity	NPC5029
0.7879	Intermediate Similarity	NPC111536
0.7879	Intermediate Similarity	NPC76128
0.7875	Intermediate Similarity	NPC472902
0.7875	Intermediate Similarity	NPC472618
0.7875	Intermediate Similarity	NPC472320
0.7872	Intermediate Similarity	NPC193805
0.7871	Intermediate Similarity	NPC70764
0.7866	Intermediate Similarity	NPC470207
0.7866	Intermediate Similarity	NPC470206
0.7862	Intermediate Similarity	NPC477833
0.7862	Intermediate Similarity	NPC65003
0.7862	Intermediate Similarity	NPC44931
0.7862	Intermediate Similarity	NPC129827
0.7862	Intermediate Similarity	NPC473512
0.7857	Intermediate Similarity	NPC302989
0.7853	Intermediate Similarity	NPC70441
0.7853	Intermediate Similarity	NPC115674
0.7853	Intermediate Similarity	NPC475174
0.7853	Intermediate Similarity	NPC210073
0.7853	Intermediate Similarity	NPC8856
0.7852	Intermediate Similarity	NPC275055
0.7852	Intermediate Similarity	NPC290291
0.7848	Intermediate Similarity	NPC97052
0.7848	Intermediate Similarity	NPC67396
0.7848	Intermediate Similarity	NPC169248
0.7848	Intermediate Similarity	NPC95090
0.7848	Intermediate Similarity	NPC39351
0.7848	Intermediate Similarity	NPC99233
0.7848	Intermediate Similarity	NPC27408
0.7848	Intermediate Similarity	NPC72649
0.7848	Intermediate Similarity	NPC26195
0.7844	Intermediate Similarity	NPC314489
0.7844	Intermediate Similarity	NPC46958
0.7844	Intermediate Similarity	NPC102053
0.7844	Intermediate Similarity	NPC198893
0.7844	Intermediate Similarity	NPC232818

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC133585 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	273
0.1-0.2	858
0.2-0.3	1423
0.3-0.4	2421
0.4-0.5	2163
0.5-0.6	1324
0.6-0.7	546
0.7-0.8	150
0.8-0.85	3
0.85-0.9	0
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.8481	Intermediate Similarity	NPD3751	Discontinued
0.8113	Intermediate Similarity	NPD3787	Discontinued
0.8105	Intermediate Similarity	NPD5808	Clinical (unspecified phase)
0.7975	Intermediate Similarity	NPD4381	Clinical (unspecified phase)
0.7973	Intermediate Similarity	NPD2346	Discontinued
0.7933	Intermediate Similarity	NPD3750	Approved
0.78	Intermediate Similarity	NPD1549	Phase 2
0.7786	Intermediate Similarity	NPD1547	Clinical (unspecified phase)
0.7785	Intermediate Similarity	NPD7819	Suspended
0.7758	Intermediate Similarity	NPD7054	Approved
0.7738	Intermediate Similarity	NPD8313	Approved
0.7738	Intermediate Similarity	NPD8312	Approved
0.7736	Intermediate Similarity	NPD5402	Approved
0.7733	Intermediate Similarity	NPD1550	Clinical (unspecified phase)
0.7733	Intermediate Similarity	NPD1552	Clinical (unspecified phase)
0.7727	Intermediate Similarity	NPD7004	Clinical (unspecified phase)
0.7718	Intermediate Similarity	NPD3748	Approved
0.7716	Intermediate Similarity	NPD6959	Discontinued
0.7711	Intermediate Similarity	NPD7472	Approved
0.7711	Intermediate Similarity	NPD7074	Phase 3
0.7692	Intermediate Similarity	NPD1203	Approved
0.7692	Intermediate Similarity	NPD2797	Approved
0.7671	Intermediate Similarity	NPD2313	Discontinued
0.7671	Intermediate Similarity	NPD3268	Approved
0.7665	Intermediate Similarity	NPD6797	Phase 2
0.7639	Intermediate Similarity	NPD2798	Approved
0.7635	Intermediate Similarity	NPD1899	Clinical (unspecified phase)
0.7635	Intermediate Similarity	NPD1933	Approved
0.7628	Intermediate Similarity	NPD5403	Approved
0.7619	Intermediate Similarity	NPD6559	Discontinued
0.7619	Intermediate Similarity	NPD7251	Discontinued
0.7613	Intermediate Similarity	NPD5401	Approved
0.761	Intermediate Similarity	NPD1934	Approved
0.7595	Intermediate Similarity	NPD4380	Phase 2
0.759	Intermediate Similarity	NPD3818	Discontinued
0.7582	Intermediate Similarity	NPD1878	Clinical (unspecified phase)
0.7574	Intermediate Similarity	NPD7808	Phase 3
0.7562	Intermediate Similarity	NPD2393	Clinical (unspecified phase)
0.755	Intermediate Similarity	NPD2935	Discontinued
0.755	Intermediate Similarity	NPD1551	Phase 2
0.7545	Intermediate Similarity	NPD5844	Phase 1
0.7545	Intermediate Similarity	NPD7804	Clinical (unspecified phase)
0.7534	Intermediate Similarity	NPD6832	Phase 2
0.7532	Intermediate Similarity	NPD3226	Approved
0.7531	Intermediate Similarity	NPD3749	Approved
0.75	Intermediate Similarity	NPD6844	Discontinued
0.75	Intermediate Similarity	NPD3225	Approved
0.7483	Intermediate Similarity	NPD9717	Approved
0.7483	Intermediate Similarity	NPD1510	Phase 2
0.7471	Intermediate Similarity	NPD4338	Clinical (unspecified phase)
0.747	Intermediate Similarity	NPD6166	Phase 2
0.747	Intermediate Similarity	NPD6167	Clinical (unspecified phase)
0.747	Intermediate Similarity	NPD6168	Clinical (unspecified phase)
0.7468	Intermediate Similarity	NPD6398	Clinical (unspecified phase)
0.7453	Intermediate Similarity	NPD8455	Phase 2
0.7448	Intermediate Similarity	NPD3266	Approved
0.7448	Intermediate Similarity	NPD3267	Approved
0.7438	Intermediate Similarity	NPD7411	Suspended
0.7436	Intermediate Similarity	NPD1511	Approved
0.7434	Intermediate Similarity	NPD2796	Approved
0.7407	Intermediate Similarity	NPD8443	Clinical (unspecified phase)
0.74	Intermediate Similarity	NPD447	Suspended
0.7389	Intermediate Similarity	NPD4378	Clinical (unspecified phase)
0.7368	Intermediate Similarity	NPD7033	Discontinued
0.7368	Intermediate Similarity	NPD2799	Discontinued
0.7368	Intermediate Similarity	NPD4308	Phase 3
0.7365	Intermediate Similarity	NPD7852	Clinical (unspecified phase)
0.7362	Intermediate Similarity	NPD4868	Clinical (unspecified phase)
0.7362	Intermediate Similarity	NPD7768	Phase 2
0.7346	Intermediate Similarity	NPD7096	Clinical (unspecified phase)
0.7342	Intermediate Similarity	NPD1512	Approved
0.7342	Intermediate Similarity	NPD6273	Approved
0.7338	Intermediate Similarity	NPD970	Clinical (unspecified phase)
0.733	Intermediate Similarity	NPD7879	Clinical (unspecified phase)
0.732	Intermediate Similarity	NPD6099	Approved
0.732	Intermediate Similarity	NPD6100	Approved
0.7317	Intermediate Similarity	NPD7075	Discontinued
0.7315	Intermediate Similarity	NPD411	Approved
0.7315	Intermediate Similarity	NPD6859	Clinical (unspecified phase)
0.7314	Intermediate Similarity	NPD8397	Clinical (unspecified phase)
0.7292	Intermediate Similarity	NPD1091	Approved
0.7284	Intermediate Similarity	NPD37	Approved
0.7273	Intermediate Similarity	NPD2344	Approved
0.7273	Intermediate Similarity	NPD2343	Clinical (unspecified phase)
0.7266	Intermediate Similarity	NPD1241	Discontinued
0.7256	Intermediate Similarity	NPD4966	Approved
0.7256	Intermediate Similarity	NPD4967	Phase 2
0.7256	Intermediate Similarity	NPD4965	Approved
0.7248	Intermediate Similarity	NPD4625	Phase 3
0.7244	Intermediate Similarity	NPD7003	Approved
0.7239	Intermediate Similarity	NPD1465	Phase 2
0.7239	Intermediate Similarity	NPD2801	Approved
0.7229	Intermediate Similarity	NPD5494	Approved
0.7222	Intermediate Similarity	NPD3496	Discontinued
0.7219	Intermediate Similarity	NPD1613	Approved
0.7219	Intermediate Similarity	NPD1612	Clinical (unspecified phase)
0.7219	Intermediate Similarity	NPD1240	Approved
0.7215	Intermediate Similarity	NPD6799	Approved
0.7205	Intermediate Similarity	NPD7458	Discontinued
0.72	Intermediate Similarity	NPD6798	Discontinued
0.7195	Intermediate Similarity	NPD3817	Phase 2
0.7186	Intermediate Similarity	NPD7199	Phase 2
0.7181	Intermediate Similarity	NPD4908	Phase 1
0.7179	Intermediate Similarity	NPD7421	Clinical (unspecified phase)
0.7178	Intermediate Similarity	NPD6801	Discontinued
0.7176	Intermediate Similarity	NPD7228	Approved
0.7172	Intermediate Similarity	NPD1610	Phase 2
0.7171	Intermediate Similarity	NPD6355	Discontinued
0.717	Intermediate Similarity	NPD7410	Clinical (unspecified phase)
0.7162	Intermediate Similarity	NPD1019	Discontinued
0.7152	Intermediate Similarity	NPD6233	Phase 2
0.7152	Intermediate Similarity	NPD3882	Suspended
0.7151	Intermediate Similarity	NPD7993	Clinical (unspecified phase)
0.7143	Intermediate Similarity	NPD1653	Approved
0.7143	Intermediate Similarity	NPD1283	Approved
0.7134	Intermediate Similarity	NPD4628	Phase 3
0.7133	Intermediate Similarity	NPD1894	Discontinued
0.7124	Intermediate Similarity	NPD1607	Approved
0.7123	Intermediate Similarity	NPD1608	Approved
0.7114	Intermediate Similarity	NPD2861	Phase 2
0.7113	Intermediate Similarity	NPD405	Clinical (unspecified phase)
0.7105	Intermediate Similarity	NPD4307	Phase 2
0.7105	Intermediate Similarity	NPD4060	Phase 1
0.7095	Intermediate Similarity	NPD1470	Approved
0.7091	Intermediate Similarity	NPD4288	Approved
0.7089	Intermediate Similarity	NPD2309	Approved
0.7086	Intermediate Similarity	NPD4907	Clinical (unspecified phase)
0.7083	Intermediate Similarity	NPD1651	Approved
0.7083	Intermediate Similarity	NPD5585	Approved
0.7078	Intermediate Similarity	NPD7097	Phase 1
0.7066	Intermediate Similarity	NPD6234	Discontinued
0.7055	Intermediate Similarity	NPD1611	Approved
0.7055	Intermediate Similarity	NPD1201	Approved
0.7055	Intermediate Similarity	NPD1535	Discovery
0.7055	Intermediate Similarity	NPD6599	Discontinued
0.7049	Intermediate Similarity	NPD6782	Approved
0.7049	Intermediate Similarity	NPD6777	Approved
0.7049	Intermediate Similarity	NPD6776	Approved
0.7049	Intermediate Similarity	NPD6778	Approved
0.7049	Intermediate Similarity	NPD6780	Approved
0.7049	Intermediate Similarity	NPD6781	Approved
0.7049	Intermediate Similarity	NPD6779	Approved
0.7047	Intermediate Similarity	NPD5647	Approved
0.7042	Intermediate Similarity	NPD709	Approved
0.7041	Intermediate Similarity	NPD6232	Discontinued
0.7018	Intermediate Similarity	NPD7473	Discontinued
0.7014	Intermediate Similarity	NPD1548	Phase 1
0.7013	Intermediate Similarity	NPD6653	Approved
0.7007	Intermediate Similarity	NPD1481	Phase 2
0.7006	Intermediate Similarity	NPD2897	Discontinued
0.7006	Intermediate Similarity	NPD2424	Discontinued
0.7006	Intermediate Similarity	NPD8150	Discontinued
0.7	Intermediate Similarity	NPD7184	Clinical (unspecified phase)
0.6994	Remote Similarity	NPD2651	Approved
0.6994	Remote Similarity	NPD2649	Approved
0.6993	Remote Similarity	NPD9493	Approved
0.6993	Remote Similarity	NPD2979	Phase 3
0.6987	Remote Similarity	NPD4476	Approved
0.6987	Remote Similarity	NPD5405	Approved
0.6987	Remote Similarity	NPD5406	Approved
0.6987	Remote Similarity	NPD5404	Approved
0.6987	Remote Similarity	NPD4477	Approved
0.6987	Remote Similarity	NPD5408	Approved
0.6974	Remote Similarity	NPD6410	Clinical (unspecified phase)
0.6974	Remote Similarity	NPD1699	Clinical (unspecified phase)
0.6973	Remote Similarity	NPD6823	Phase 2
0.6962	Remote Similarity	NPD6674	Discontinued
0.6962	Remote Similarity	NPD5698	Clinical (unspecified phase)
0.6959	Remote Similarity	NPD4749	Approved
0.6957	Remote Similarity	NPD2533	Approved
0.6957	Remote Similarity	NPD2532	Approved
0.6957	Remote Similarity	NPD2534	Approved
0.6954	Remote Similarity	NPD1529	Clinical (unspecified phase)
0.6951	Remote Similarity	NPD7028	Phase 2
0.6948	Remote Similarity	NPD5124	Phase 1
0.6948	Remote Similarity	NPD5123	Clinical (unspecified phase)
0.6943	Remote Similarity	NPD6006	Clinical (unspecified phase)
0.6943	Remote Similarity	NPD6004	Phase 3
0.6943	Remote Similarity	NPD6005	Phase 3
0.6943	Remote Similarity	NPD6003	Clinical (unspecified phase)
0.6943	Remote Similarity	NPD6002	Phase 3
0.6943	Remote Similarity	NPD7266	Discontinued
0.6941	Remote Similarity	NPD7229	Phase 3
0.6939	Remote Similarity	NPD1281	Approved
0.6935	Remote Similarity	NPD7696	Phase 3
0.6935	Remote Similarity	NPD7697	Approved
0.6935	Remote Similarity	NPD7698	Approved
0.6935	Remote Similarity	NPD7435	Discontinued
0.6923	Remote Similarity	NPD6671	Approved
0.6918	Remote Similarity	NPD1778	Approved
0.6918	Remote Similarity	NPD4626	Approved
0.6918	Remote Similarity	NPD8166	Discontinued
0.6918	Remote Similarity	NPD17	Approved
0.6914	Remote Similarity	NPD7240	Approved
0.6913	Remote Similarity	NPD1876	Approved
0.6909	Remote Similarity	NPD7615	Clinical (unspecified phase)
0.6898	Remote Similarity	NPD7870	Phase 2
0.6898	Remote Similarity	NPD7871	Phase 2
0.6894	Remote Similarity	NPD6143	Clinical (unspecified phase)
0.6894	Remote Similarity	NPD7390	Discontinued

Structure

NPC133585 OpenBabel07101719142D 25 29 0 0 1 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 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 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 -2.5405 -0.7313 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 -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 -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 1 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 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 -0.8084 0.2687 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 0.0576 -1.2313 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 3 2 0 0 0 0 1 5 1 0 0 0 0 2 4 2 0 0 0 0 2 6 1 0 0 0 0 3 11 1 0 0 0 0 4 11 1 0 0 0 0 5 15 2 0 0 0 0 6 16 2 0 0 0 0 7 8 2 0 0 0 0 7 12 1 0 0 0 0 8 14 1 0 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 10 20 1 0 0 0 0 11 17 2 0 0 0 0 12 18 1 0 0 0 0 12 21 2 0 0 0 0 13 18 1 0 0 0 0 13 22 1 1 0 0 0 14 19 1 0 0 0 0 14 23 2 0 0 0 0 15 17 1 0 0 0 0 15 24 1 0 0 0 0 16 17 1 0 0 0 0 16 25 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 24 1 0 0 0 0 20 25 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	25147587
ChEMBL	CHEMBL457642
ZINC

Physicochemical Properties

Molecular Weight:	334.08
ALogP:	-1.5715
MLogP:	3.11
XLogP:	2.247
# Rotatable Bonds:	1
Polar Surface Area:	72.83
# H-Bond Aceptor:	3
# H-Bond Donor:	1
# Rings:	5
# Heavy Atoms:	25

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