NPASS Natural Product

Natural Product: NPC95123

Natural Product ID:	NPC95123
Common Name:	Evernic Acid
IUPAC Name:	2-hydroxy-4-(2-hydroxy-4-methoxy-6-methylbenzoyl)oxy-6-methylbenzoic acid
Synonyms:
Molecular Formula:	C17H16O7
Standard InCHIKey:	GODLCSLPZIBRMG-UHFFFAOYSA-N
Standard InCHI:	InChI=1S/C17H16O7/c1-8-5-11(7-12(18)14(8)16(20)21)24-17(22)15-9(2)4-10(23-3)6-13(15)19/h4-7,18-19H,1-3H3,(H,20,21)
Canonical SMILES:	COc1cc(C)c(c(c1)O)C(=O)Oc1cc(C)c(c(c1)O)C(=O)O
First Find Year:
Max Developmental Stage:
Synthetic Gene Cluster:	;

Species Source

Organism ID	Organism Name	Taxonomy Level	Family	SuperKingdom	Reference
NPO1622	Cladonia verticillata	Species	Cladoniaceae	Eukaryota	TCMID*
NPO11888	Eriostemon buxifolius	Species	Rutaceae	Eukaryota	UNPD*
NPO11114	Phycomyces blakesleeanus	Species	Phycomycetaceae	Eukaryota	UNPD*
NPO8717	Bulbophyllum odoratissimum	Species	Orchidaceae	Eukaryota	UNPD*
NPO1622	Cladonia verticillata	Species	Cladoniaceae	Eukaryota	TCM_Taiwan*

Biological Activity

Activity Type	# Activity
ED50	1
IC50	11
Others	1
Potency	12

Activity Type	# Activity
Cell Line	1
Individual Protein	10
Organism	5
Others	9

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT1038	Individual Protein	Histone-lysine N-methyltransferase MLL	Homo sapiens	Potency	=	70794.6	nM	PubChem BioAssay data set
NPT54	Individual Protein	Nonstructural protein 1	Influenza A virus	Potency	=	10000	nM	PubChem BioAssay data set
NPT59	Individual Protein	DNA polymerase beta	Homo sapiens	Potency	=	89125.1	nM	PubChem BioAssay data set
NPT803	Individual Protein	Flap endonuclease 1	Homo sapiens	Potency		44668.4	nM	PubChem BioAssay data set
NPT484	Individual Protein	Luciferin 4-monooxygenase	Photinus pyralis	Potency		19011.5	nM	PubChem BioAssay data set
NPT10	Individual Protein	Geminin	Homo sapiens	Potency		517.4	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency		794.3	nM	PubChem BioAssay data set
NPT776	Organism	Spodoptera littoralis	Spodoptera littoralis	ED50	>	0.11	nM	10.1016/0305-1978(94)90001-9
NPT920	Individual Protein	Alpha-synuclein	Homo sapiens	Potency		35481.3	nM	PubChem BioAssay data set
NPT617	Organism	Danio rerio	Danio rerio	Activity	>=	40	%	23806111
NPT91	Cell Line	KB	Homo sapiens	IC50	=	190400	nM	23806111
NPT2	Others	Unspecified		IC50	>	100000	nM	23806111
NPT1140	Organism	Escherichia coli ATCC 8739	Escherichia coli ATCC 8739	IC50	>	64000	nM	23806111
NPT2	Others	Unspecified		IC50	=	90000	nM	23806111
NPT2	Others	Unspecified		IC50	=	170000	nM	23806111
NPT2	Others	Unspecified		IC50	>	200000	nM	23806111
NPT2	Others	Unspecified		IC50	=	10700	nM	23806111
NPT2	Others	Unspecified		IC50	=	36100	nM	23806111
NPT485	Organism	Plasmodium falciparum (isolate K1 / Thailand)	Plasmodium falciparum K1	IC50	=	142100	nM	23806111
NPT474	Organism	Plasmodium berghei	Plasmodium berghei	IC50	=	77300	nM	23806111
NPT161	Individual Protein	Rap guanine nucleotide exchange factor 4	Homo sapiens	Potency		44668.4	nM	PubChem BioAssay data set
NPT535	Individual Protein	Parathyroid hormone receptor	Homo sapiens	Potency		56234.1	nM	PubChem BioAssay data set
NPT11	Individual Protein	Guanine nucleotide-binding protein G(s), subunit alpha	Homo sapiens	Potency		28183.8	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency		11220.2	nM	PubChem BioAssay data set

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 NPC95123 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	249
0.1-0.2	1193
0.2-0.3	2398
0.3-0.4	5356
0.4-0.5	7712
0.5-0.6	2475
0.6-0.7	3793
0.7-0.8	4619
0.8-0.85	1999
0.85-0.9	988
0.9-0.95	90
0.95-1	17

Similarity Score	Similarity Level	Natural Product ID
1.0	High Similarity	NPC66404
0.9928	High Similarity	NPC134621
0.9856	High Similarity	NPC237208
0.9854	High Similarity	NPC105648
0.9784	High Similarity	NPC29577
0.9781	High Similarity	NPC220106
0.9648	High Similarity	NPC233267
0.9648	High Similarity	NPC291049
0.9645	High Similarity	NPC12305
0.958	High Similarity	NPC60413
0.9577	High Similarity	NPC105415
0.9574	High Similarity	NPC267509
0.9568	High Similarity	NPC250755
0.9514	High Similarity	NPC133856
0.951	High Similarity	NPC6923
0.9504	High Similarity	NPC312789
0.9504	High Similarity	NPC32470
0.9448	High Similarity	NPC273483
0.9444	High Similarity	NPC307780
0.9444	High Similarity	NPC309979
0.9362	High Similarity	NPC310340
0.9357	High Similarity	NPC1704
0.9357	High Similarity	NPC67650
0.9348	High Similarity	NPC135837
0.9343	High Similarity	NPC182496
0.9343	High Similarity	NPC180905
0.932	High Similarity	NPC149618
0.932	High Similarity	NPC89625
0.931	High Similarity	NPC295036
0.9306	High Similarity	NPC240622
0.9306	High Similarity	NPC240253
0.9306	High Similarity	NPC471642
0.9306	High Similarity	NPC471641
0.9301	High Similarity	NPC225173
0.9301	High Similarity	NPC163846
0.9291	High Similarity	NPC474385
0.9257	High Similarity	NPC146211
0.9257	High Similarity	NPC54928
0.9247	High Similarity	NPC227166
0.9241	High Similarity	NPC476684
0.9236	High Similarity	NPC259632
0.9236	High Similarity	NPC125801
0.9225	High Similarity	NPC469542
0.9225	High Similarity	NPC472006
0.9225	High Similarity	NPC51106
0.922	High Similarity	NPC475730
0.922	High Similarity	NPC275734
0.9189	High Similarity	NPC471800
0.9184	High Similarity	NPC217447
0.9178	High Similarity	NPC194379
0.9178	High Similarity	NPC470107
0.9172	High Similarity	NPC172329
0.9172	High Similarity	NPC2569
0.9172	High Similarity	NPC37139
0.9167	High Similarity	NPC473927
0.9161	High Similarity	NPC210425
0.9161	High Similarity	NPC280404
0.9161	High Similarity	NPC86373
0.9161	High Similarity	NPC277426
0.9155	High Similarity	NPC49108
0.9155	High Similarity	NPC469579
0.9137	High Similarity	NPC242712
0.9133	High Similarity	NPC238381
0.913	High Similarity	NPC175943
0.911	High Similarity	NPC288036
0.911	High Similarity	NPC97029
0.911	High Similarity	NPC97028
0.911	High Similarity	NPC158338
0.911	High Similarity	NPC65589
0.911	High Similarity	NPC100985
0.9097	High Similarity	NPC472034
0.9085	High Similarity	NPC90411
0.9085	High Similarity	NPC158634
0.9078	High Similarity	NPC57380
0.9078	High Similarity	NPC32360
0.9073	High Similarity	NPC143050
0.9071	High Similarity	NPC70380
0.9071	High Similarity	NPC472364
0.9071	High Similarity	NPC473391
0.9071	High Similarity	NPC476333
0.9071	High Similarity	NPC472367
0.906	High Similarity	NPC20541
0.9058	High Similarity	NPC153783
0.9051	High Similarity	NPC189823
0.9051	High Similarity	NPC219892
0.9048	High Similarity	NPC150928
0.9048	High Similarity	NPC158866
0.9041	High Similarity	NPC27221
0.9041	High Similarity	NPC256672
0.9041	High Similarity	NPC7025
0.9034	High Similarity	NPC472033
0.9034	High Similarity	NPC154217
0.9034	High Similarity	NPC138978
0.9034	High Similarity	NPC470322
0.9034	High Similarity	NPC107625
0.9021	High Similarity	NPC471644
0.9021	High Similarity	NPC96692
0.9021	High Similarity	NPC471640
0.9014	High Similarity	NPC165172
0.9007	High Similarity	NPC212693
0.9007	High Similarity	NPC478200
0.9007	High Similarity	NPC33144
0.9007	High Similarity	NPC94248
0.9007	High Similarity	NPC472602
0.9007	High Similarity	NPC188879
0.9007	High Similarity	NPC191835
0.9	High Similarity	NPC235115
0.8993	High Similarity	NPC472799
0.8986	High Similarity	NPC232645
0.8986	High Similarity	NPC149526
0.8986	High Similarity	NPC474417
0.8986	High Similarity	NPC478148
0.8986	High Similarity	NPC58668
0.8986	High Similarity	NPC72958
0.8986	High Similarity	NPC106372
0.898	High Similarity	NPC10027
0.898	High Similarity	NPC473978
0.898	High Similarity	NPC65775
0.8973	High Similarity	NPC22005
0.8973	High Similarity	NPC472036
0.8973	High Similarity	NPC142863
0.8973	High Similarity	NPC7943
0.8973	High Similarity	NPC123202
0.8973	High Similarity	NPC210320
0.8966	High Similarity	NPC196137
0.8966	High Similarity	NPC131766
0.8966	High Similarity	NPC1886
0.8958	High Similarity	NPC471643
0.8958	High Similarity	NPC84266
0.8958	High Similarity	NPC73028
0.8958	High Similarity	NPC36181
0.8958	High Similarity	NPC471639
0.8951	High Similarity	NPC53649
0.8947	High Similarity	NPC200594
0.8944	High Similarity	NPC268052
0.8944	High Similarity	NPC472368
0.8944	High Similarity	NPC124269
0.8936	High Similarity	NPC473887
0.8936	High Similarity	NPC47815
0.8936	High Similarity	NPC127447
0.8936	High Similarity	NPC13408
0.8936	High Similarity	NPC231772
0.8936	High Similarity	NPC234133
0.8936	High Similarity	NPC29353
0.8936	High Similarity	NPC194281
0.8936	High Similarity	NPC194579
0.8936	High Similarity	NPC124784
0.8936	High Similarity	NPC240593
0.8926	High Similarity	NPC474843
0.8926	High Similarity	NPC154683
0.8926	High Similarity	NPC289968
0.8926	High Similarity	NPC40356
0.8926	High Similarity	NPC175978
0.8926	High Similarity	NPC87708
0.8926	High Similarity	NPC207624
0.8921	High Similarity	NPC10971
0.8921	High Similarity	NPC203817
0.8919	High Similarity	NPC474660
0.8919	High Similarity	NPC325983
0.8919	High Similarity	NPC227122
0.8919	High Similarity	NPC475460
0.8919	High Similarity	NPC119929
0.8912	High Similarity	NPC73411
0.8912	High Similarity	NPC215711
0.8912	High Similarity	NPC106328
0.8912	High Similarity	NPC35150
0.8904	High Similarity	NPC130176
0.8904	High Similarity	NPC196114
0.8904	High Similarity	NPC290133
0.8904	High Similarity	NPC24136
0.8904	High Similarity	NPC153758
0.8904	High Similarity	NPC187282
0.8904	High Similarity	NPC181388
0.8904	High Similarity	NPC99454
0.8897	High Similarity	NPC470216
0.8897	High Similarity	NPC94794
0.8897	High Similarity	NPC112791
0.8897	High Similarity	NPC196459
0.8897	High Similarity	NPC188632
0.8897	High Similarity	NPC470296
0.8897	High Similarity	NPC87609
0.8897	High Similarity	NPC470932
0.8896	High Similarity	NPC300984
0.8896	High Similarity	NPC474350
0.8896	High Similarity	NPC156082
0.8889	High Similarity	NPC303565
0.8889	High Similarity	NPC94076
0.8889	High Similarity	NPC182255
0.8882	High Similarity	NPC474373
0.8881	High Similarity	NPC472601
0.8881	High Similarity	NPC140890
0.8881	High Similarity	NPC472600
0.8881	High Similarity	NPC254994
0.8881	High Similarity	NPC230902
0.8881	High Similarity	NPC472366
0.8881	High Similarity	NPC155205
0.8881	High Similarity	NPC158472
0.8874	High Similarity	NPC4547
0.8873	High Similarity	NPC266597
0.8873	High Similarity	NPC250266

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC95123 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	911
0.2-0.3	1506
0.3-0.4	2448
0.4-0.5	1984
0.5-0.6	1241
0.6-0.7	548
0.7-0.8	185
0.8-0.85	49
0.85-0.9	15
0.9-0.95	1
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.9353	High Similarity	NPD970	Clinical (unspecified phase)
0.8993	High Similarity	NPD7819	Suspended
0.8707	High Similarity	NPD2533	Approved
0.8707	High Similarity	NPD2534	Approved
0.8707	High Similarity	NPD4378	Clinical (unspecified phase)
0.8707	High Similarity	NPD2532	Approved
0.869	High Similarity	NPD3750	Approved
0.8639	High Similarity	NPD6799	Approved
0.8611	High Similarity	NPD1552	Clinical (unspecified phase)
0.8611	High Similarity	NPD1550	Clinical (unspecified phase)
0.8582	High Similarity	NPD1240	Approved
0.8571	High Similarity	NPD3749	Approved
0.8571	High Similarity	NPD6859	Clinical (unspecified phase)
0.8552	High Similarity	NPD1549	Phase 2
0.8542	High Similarity	NPD1551	Phase 2
0.8514	High Similarity	NPD1511	Approved
0.8497	Intermediate Similarity	NPD2393	Clinical (unspecified phase)
0.8497	Intermediate Similarity	NPD2801	Approved
0.8487	Intermediate Similarity	NPD7411	Suspended
0.8472	Intermediate Similarity	NPD1510	Phase 2
0.8471	Intermediate Similarity	NPD6232	Discontinued
0.8462	Intermediate Similarity	NPD1607	Approved
0.8452	Intermediate Similarity	NPD7075	Discontinued
0.8442	Intermediate Similarity	NPD3817	Phase 2
0.8431	Intermediate Similarity	NPD1934	Approved
0.8421	Intermediate Similarity	NPD6599	Discontinued
0.8414	Intermediate Similarity	NPD2796	Approved
0.8414	Intermediate Similarity	NPD2935	Discontinued
0.8408	Intermediate Similarity	NPD6959	Discontinued
0.84	Intermediate Similarity	NPD1512	Approved
0.8387	Intermediate Similarity	NPD7768	Phase 2
0.8387	Intermediate Similarity	NPD3882	Suspended
0.8377	Intermediate Similarity	NPD7096	Clinical (unspecified phase)
0.8345	Intermediate Similarity	NPD3748	Approved
0.8345	Intermediate Similarity	NPD1203	Approved
0.8333	Intermediate Similarity	NPD7410	Clinical (unspecified phase)
0.8323	Intermediate Similarity	NPD8443	Clinical (unspecified phase)
0.8313	Intermediate Similarity	NPD7473	Discontinued
0.8269	Intermediate Similarity	NPD4868	Clinical (unspecified phase)
0.8258	Intermediate Similarity	NPD1465	Phase 2
0.825	Intermediate Similarity	NPD7852	Clinical (unspecified phase)
0.8243	Intermediate Similarity	NPD1243	Approved
0.8235	Intermediate Similarity	NPD3226	Approved
0.821	Intermediate Similarity	NPD5844	Phase 1
0.8194	Intermediate Similarity	NPD6801	Discontinued
0.8169	Intermediate Similarity	NPD6832	Phase 2
0.8129	Intermediate Similarity	NPD9717	Approved
0.8121	Intermediate Similarity	NPD2800	Approved
0.8121	Intermediate Similarity	NPD7421	Clinical (unspecified phase)
0.8101	Intermediate Similarity	NPD4381	Clinical (unspecified phase)
0.8095	Intermediate Similarity	NPD2799	Discontinued
0.8067	Intermediate Similarity	NPD6398	Clinical (unspecified phase)
0.8067	Intermediate Similarity	NPD4628	Phase 3
0.8067	Intermediate Similarity	NPD1878	Clinical (unspecified phase)
0.8065	Intermediate Similarity	NPD4380	Phase 2
0.8058	Intermediate Similarity	NPD422	Phase 1
0.8041	Intermediate Similarity	NPD6099	Approved
0.8041	Intermediate Similarity	NPD6100	Approved
0.8025	Intermediate Similarity	NPD6166	Phase 2
0.8025	Intermediate Similarity	NPD6167	Clinical (unspecified phase)
0.8025	Intermediate Similarity	NPD6168	Clinical (unspecified phase)
0.8014	Intermediate Similarity	NPD1899	Clinical (unspecified phase)
0.8012	Intermediate Similarity	NPD5710	Approved
0.8012	Intermediate Similarity	NPD5711	Approved
0.8	Intermediate Similarity	NPD1608	Approved
0.7988	Intermediate Similarity	NPD7054	Approved
0.7987	Intermediate Similarity	NPD920	Approved
0.7987	Intermediate Similarity	NPD5403	Approved
0.7987	Intermediate Similarity	NPD2346	Discontinued
0.7975	Intermediate Similarity	NPD5402	Approved
0.7973	Intermediate Similarity	NPD1509	Clinical (unspecified phase)
0.7961	Intermediate Similarity	NPD643	Clinical (unspecified phase)
0.7958	Intermediate Similarity	NPD2797	Approved
0.7939	Intermediate Similarity	NPD7074	Phase 3
0.7939	Intermediate Similarity	NPD7472	Approved
0.7931	Intermediate Similarity	NPD411	Approved
0.7931	Intermediate Similarity	NPD3268	Approved
0.7927	Intermediate Similarity	NPD3818	Discontinued
0.7904	Intermediate Similarity	NPD4338	Clinical (unspecified phase)
0.7892	Intermediate Similarity	NPD5953	Discontinued
0.7892	Intermediate Similarity	NPD6797	Phase 2
0.7891	Intermediate Similarity	NPD447	Suspended
0.7891	Intermediate Similarity	NPD230	Phase 1
0.7867	Intermediate Similarity	NPD2344	Approved
0.7857	Intermediate Similarity	NPD642	Clinical (unspecified phase)
0.7857	Intermediate Similarity	NPD5401	Approved
0.7844	Intermediate Similarity	NPD7251	Discontinued
0.7838	Intermediate Similarity	NPD6651	Approved
0.7826	Intermediate Similarity	NPD919	Approved
0.7798	Intermediate Similarity	NPD7808	Phase 3
0.7792	Intermediate Similarity	NPD7390	Discontinued
0.7786	Intermediate Similarity	NPD17	Approved
0.7778	Intermediate Similarity	NPD5494	Approved
0.7771	Intermediate Similarity	NPD7804	Clinical (unspecified phase)
0.7771	Intermediate Similarity	NPD7286	Phase 2
0.7762	Intermediate Similarity	NPD3225	Approved
0.775	Intermediate Similarity	NPD4288	Approved
0.7742	Intermediate Similarity	NPD7004	Clinical (unspecified phase)
0.7738	Intermediate Similarity	NPD6559	Discontinued
0.7733	Intermediate Similarity	NPD4308	Phase 3
0.7733	Intermediate Similarity	NPD7033	Discontinued
0.773	Intermediate Similarity	NPD7199	Phase 2
0.7703	Intermediate Similarity	NPD943	Approved
0.7687	Intermediate Similarity	NPD2313	Discontinued
0.7687	Intermediate Similarity	NPD3764	Approved
0.7683	Intermediate Similarity	NPD7229	Phase 3
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	NPD7993	Clinical (unspecified phase)
0.7671	Intermediate Similarity	NPD4908	Phase 1
0.7662	Intermediate Similarity	NPD2309	Approved
0.7658	Intermediate Similarity	NPD5808	Clinical (unspecified phase)
0.7643	Intermediate Similarity	NPD9545	Approved
0.7643	Intermediate Similarity	NPD6980	Clinical (unspecified phase)
0.7636	Intermediate Similarity	NPD3926	Phase 2
0.7636	Intermediate Similarity	NPD7184	Clinical (unspecified phase)
0.7626	Intermediate Similarity	NPD9493	Approved
0.7619	Intermediate Similarity	NPD4625	Phase 3
0.7588	Intermediate Similarity	NPD4419	Clinical (unspecified phase)
0.7586	Intermediate Similarity	NPD3267	Approved
0.7586	Intermediate Similarity	NPD3266	Approved
0.7584	Intermediate Similarity	NPD4060	Phase 1
0.758	Intermediate Similarity	NPD6273	Approved
0.7568	Intermediate Similarity	NPD1296	Phase 2
0.7568	Intermediate Similarity	NPD4907	Clinical (unspecified phase)
0.7564	Intermediate Similarity	NPD6143	Clinical (unspecified phase)
0.7552	Intermediate Similarity	NPD1610	Phase 2
0.7534	Intermediate Similarity	NPD1019	Discontinued
0.7534	Intermediate Similarity	NPD2798	Approved
0.7533	Intermediate Similarity	NPD1933	Approved
0.7532	Intermediate Similarity	NPD2654	Approved
0.7529	Intermediate Similarity	NPD4287	Approved
0.7518	Intermediate Similarity	NPD1548	Phase 1
0.7517	Intermediate Similarity	NPD1283	Approved
0.7516	Intermediate Similarity	NPD37	Approved
0.75	Intermediate Similarity	NPD6234	Discontinued
0.75	Intermediate Similarity	NPD651	Clinical (unspecified phase)
0.7485	Intermediate Similarity	NPD4965	Approved
0.7485	Intermediate Similarity	NPD4966	Approved
0.7485	Intermediate Similarity	NPD4967	Phase 2
0.7484	Intermediate Similarity	NPD7003	Approved
0.7467	Intermediate Similarity	NPD4307	Phase 2
0.7451	Intermediate Similarity	NPD4476	Approved
0.7451	Intermediate Similarity	NPD4477	Approved
0.745	Intermediate Similarity	NPD1699	Clinical (unspecified phase)
0.7448	Intermediate Similarity	NPD4749	Approved
0.7443	Intermediate Similarity	NPD7879	Clinical (unspecified phase)
0.7439	Intermediate Similarity	NPD6971	Discontinued
0.7431	Intermediate Similarity	NPD1201	Approved
0.7417	Intermediate Similarity	NPD5124	Phase 1
0.7417	Intermediate Similarity	NPD5123	Clinical (unspecified phase)
0.7417	Intermediate Similarity	NPD6355	Discontinued
0.7413	Intermediate Similarity	NPD1778	Approved
0.7413	Intermediate Similarity	NPD4626	Approved
0.7396	Intermediate Similarity	NPD7177	Discontinued
0.7396	Intermediate Similarity	NPD3751	Discontinued
0.7379	Intermediate Similarity	NPD1481	Phase 2
0.7365	Intermediate Similarity	NPD1530	Clinical (unspecified phase)
0.7365	Intermediate Similarity	NPD3787	Discontinued
0.7347	Intermediate Similarity	NPD1164	Approved
0.7347	Intermediate Similarity	NPD1470	Approved
0.7346	Intermediate Similarity	NPD7615	Clinical (unspecified phase)
0.7341	Intermediate Similarity	NPD8313	Approved
0.7341	Intermediate Similarity	NPD8312	Approved
0.7333	Intermediate Similarity	NPD6798	Discontinued
0.733	Intermediate Similarity	NPD8397	Clinical (unspecified phase)
0.7315	Intermediate Similarity	NPD1008	Clinical (unspecified phase)
0.7315	Intermediate Similarity	NPD1529	Clinical (unspecified phase)
0.731	Intermediate Similarity	NPD1281	Approved
0.731	Intermediate Similarity	NPD1535	Discovery
0.731	Intermediate Similarity	NPD1547	Clinical (unspecified phase)
0.7305	Intermediate Similarity	NPD1247	Approved
0.729	Intermediate Similarity	NPD1471	Phase 3
0.7273	Intermediate Similarity	NPD1894	Discontinued
0.726	Intermediate Similarity	NPD9269	Phase 2
0.726	Intermediate Similarity	NPD3972	Approved
0.7253	Intermediate Similarity	NPD7501	Clinical (unspecified phase)
0.7241	Intermediate Similarity	NPD3496	Discontinued
0.7237	Intermediate Similarity	NPD2979	Phase 3
0.7237	Intermediate Similarity	NPD1613	Approved
0.7237	Intermediate Similarity	NPD1612	Clinical (unspecified phase)
0.7225	Intermediate Similarity	NPD3658	Clinical (unspecified phase)
0.7222	Intermediate Similarity	NPD9268	Approved
0.7222	Intermediate Similarity	NPD7458	Discontinued
0.7222	Intermediate Similarity	NPD5691	Approved
0.7219	Intermediate Similarity	NPD6410	Clinical (unspecified phase)
0.7219	Intermediate Similarity	NPD5242	Approved
0.7197	Intermediate Similarity	NPD1652	Phase 2
0.7193	Intermediate Similarity	NPD7228	Approved
0.7182	Intermediate Similarity	NPD8090	Clinical (unspecified phase)
0.7179	Intermediate Similarity	NPD2343	Clinical (unspecified phase)
0.7171	Intermediate Similarity	NPD8032	Phase 2
0.7171	Intermediate Similarity	NPD6233	Phase 2
0.7167	Intermediate Similarity	NPD4363	Phase 3
0.7167	Intermediate Similarity	NPD4360	Phase 2
0.7162	Intermediate Similarity	NPD1876	Approved
0.716	Intermediate Similarity	NPD1653	Approved
0.716	Intermediate Similarity	NPD2370	Clinical (unspecified phase)

Structure

CID95123 OpenBabel06191715432D 24 25 0 0 0 0 0 0 0 0999 V2000 -3.4641 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5981 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4641 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4641 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5981 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3301 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3301 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1962 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1962 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0622 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1962 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 2 9 1 0 0 0 0 3 23 1 0 0 0 0 4 9 2 0 0 0 0 4 10 1 0 0 0 0 5 8 2 0 0 0 0 5 11 1 0 0 0 0 6 10 2 0 0 0 0 6 13 1 0 0 0 0 7 11 2 0 0 0 0 7 12 1 0 0 0 0 8 14 1 0 0 0 0 9 15 1 0 0 0 0 10 23 1 0 0 0 0 11 24 1 0 0 0 0 12 14 2 0 0 0 0 12 18 1 0 0 0 0 13 15 2 0 0 0 0 13 19 1 0 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 16 20 2 0 0 0 0 16 21 1 0 0 0 0 17 22 2 0 0 0 0 17 24 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	10829
ChEMBL	CHEMBL1484978
ZINC

Physicochemical Properties

Molecular Weight:	332.09
ALogP:	-0.0193
MLogP:	2.56
XLogP:	3.611
# Rotatable Bonds:	11
Polar Surface Area:	113.29
# H-Bond Aceptor:	3
# H-Bond Donor:	3
# Rings:	2
# Heavy Atoms:	24

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