NPASS Natural Product

Natural Product: NPC2569

Natural Product ID:	NPC2569
Common Name:	Sulochrin
IUPAC Name:	methyl 2-(2,6-dihydroxy-4-methylbenzoyl)-5-hydroxy-3-methoxybenzoate
Synonyms:
Molecular Formula:	C17H16O7
Standard InCHIKey:	YJRLSCDUYLRBIZ-UHFFFAOYSA-N
Standard InCHI:	InChI=1S/C17H16O7/c1-8-4-11(19)15(12(20)5-8)16(21)14-10(17(22)24-3)6-9(18)7-13(14)23-2/h4-7,18-20H,1-3H3
Canonical SMILES:	COc1cc(O)cc(c1C(=O)c1c(O)cc(cc1O)C)C(=O)OC
First Find Year:
Max Developmental Stage:
Synthetic Gene Cluster:	;

Species Source

Organism ID	Organism Name	Taxonomy Level	Family	SuperKingdom	Reference
NPO32471	Aspergillus sp.	Species	Aspergillaceae	Eukaryota	PMID[11809055]
NPO10938	Psychotria prunifolia	Species	Rubiaceae	Eukaryota	UNPD*
NPO21233	Pteris linearis	Species	Pteridaceae	Eukaryota	UNPD*
NPO15947	Penicillium glabrum	Species	Aspergillaceae	Eukaryota	UNPD*

Biological Activity

Activity Type	# Activity
IC50	1
Others	1
Potency	20

Activity Type	# Activity
Individual Protein	14
Organism	3
Others	4
Protein-Protein Interaction	1

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT2	Others	Unspecified		IC50	=	100	nM	10450959
NPT530	Organism	Caenorhabditis elegans	Caenorhabditis elegans	LD90	=	50	ppm	11809055
NPT47	Individual Protein	ATP-dependent DNA helicase Q1	Homo sapiens	Potency	=	35481.3	nM	PubChem BioAssay data set
NPT531	Individual Protein	Nuclear receptor ROR-gamma	Mus musculus	Potency	=	35481.3	nM	PubChem BioAssay data set
NPT59	Individual Protein	DNA polymerase beta	Homo sapiens	Potency	=	79432.8	nM	PubChem BioAssay data set
NPT60	Individual Protein	Lysosomal alpha-glucosidase	Homo sapiens	Potency	=	17782.8	nM	PubChem BioAssay data set
NPT532	Individual Protein	Lysine-specific demethylase 4A	Homo sapiens	Potency		44668.4	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency		12589.3	nM	PubChem BioAssay data set
NPT533	Protein-Protein Interaction	Runt-related transcription factor 1/Core-binding factor subunit beta	Homo sapiens	Potency		35481.3	nM	PubChem BioAssay data set
NPT6	Organism	Plasmodium falciparum	Plasmodium falciparum	Potency		5221.3	nM	PubChem BioAssay data set
NPT47	Individual Protein	ATP-dependent DNA helicase Q1	Homo sapiens	Potency		50118.7	nM	PubChem BioAssay data set
NPT8	Individual Protein	DNA polymerase iota	Homo sapiens	Potency		70794.6	nM	PubChem BioAssay data set
NPT9	Individual Protein	DNA polymerase eta	Homo sapiens	Potency		35481.3	nM	PubChem BioAssay data set
NPT199	Individual Protein	DNA polymerase kappa	Homo sapiens	Potency		79432.8	nM	PubChem BioAssay data set
NPT6	Organism	Plasmodium falciparum	Plasmodium falciparum	Potency		369.6	nM	PubChem BioAssay data set
NPT154	Individual Protein	Mothers against decapentaplegic homolog 3	Homo sapiens	Potency		10000	nM	PubChem BioAssay data set
NPT534	Individual Protein	Phosphoglycerate kinase, glycosomal	Trypanosoma brucei brucei	Potency		35481.3	nM	PubChem BioAssay data set
NPT10	Individual Protein	Geminin	Homo sapiens	Potency		23109.3	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency		29092.9	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency		20596.2	nM	PubChem BioAssay data set
NPT535	Individual Protein	Parathyroid hormone receptor	Homo sapiens	Potency		19952.6	nM	PubChem BioAssay data set
NPT49	Individual Protein	DNA-(apurinic or apyrimidinic site) lyase	Homo sapiens	Potency		8912.5	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 NPC2569 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	268
0.1-0.2	1233
0.2-0.3	2209
0.3-0.4	5014
0.4-0.5	7727
0.5-0.6	2977
0.6-0.7	3919
0.7-0.8	4498
0.8-0.85	2296
0.85-0.9	674
0.9-0.95	73
0.95-1	1

Similarity Score	Similarity Level	Natural Product ID
1.0	High Similarity	NPC172329
0.9463	High Similarity	NPC263483
0.9444	High Similarity	NPC225173
0.9444	High Similarity	NPC163846
0.9437	High Similarity	NPC49108
0.9437	High Similarity	NPC250755
0.9379	High Similarity	NPC312929
0.9379	High Similarity	NPC126767
0.9379	High Similarity	NPC245584
0.9379	High Similarity	NPC118027
0.9379	High Similarity	NPC56433
0.9379	High Similarity	NPC190648
0.9379	High Similarity	NPC125801
0.9379	High Similarity	NPC289042
0.932	High Similarity	NPC147735
0.932	High Similarity	NPC470107
0.932	High Similarity	NPC470568
0.932	High Similarity	NPC295036
0.932	High Similarity	NPC294646
0.9306	High Similarity	NPC19896
0.9257	High Similarity	NPC470569
0.9252	High Similarity	NPC291049
0.9252	High Similarity	NPC233267
0.9241	High Similarity	NPC134621
0.9236	High Similarity	NPC84266
0.9236	High Similarity	NPC472006
0.9195	High Similarity	NPC154683
0.9195	High Similarity	NPC40356
0.9195	High Similarity	NPC175978
0.9195	High Similarity	NPC273483
0.9189	High Similarity	NPC255641
0.9189	High Similarity	NPC290954
0.9189	High Similarity	NPC119929
0.9184	High Similarity	NPC105415
0.9184	High Similarity	NPC153417
0.9178	High Similarity	NPC237208
0.9178	High Similarity	NPC107625
0.9172	High Similarity	NPC66404
0.9172	High Similarity	NPC95123
0.9167	High Similarity	NPC94076
0.9167	High Similarity	NPC182255
0.9161	High Similarity	NPC165172
0.9161	High Similarity	NPC109232
0.9139	High Similarity	NPC146211
0.9128	High Similarity	NPC39819
0.9128	High Similarity	NPC133856
0.9116	High Similarity	NPC34802
0.911	High Similarity	NPC29577
0.9103	High Similarity	NPC167663
0.9103	High Similarity	NPC51106
0.9097	High Similarity	NPC1704
0.9097	High Similarity	NPC67650
0.9091	High Similarity	NPC472368
0.9085	High Similarity	NPC473391
0.9085	High Similarity	NPC472364
0.9085	High Similarity	NPC476333
0.9085	High Similarity	NPC472367
0.9078	High Similarity	NPC182496
0.9078	High Similarity	NPC180905
0.9073	High Similarity	NPC226656
0.9073	High Similarity	NPC66508
0.9067	High Similarity	NPC217447
0.906	High Similarity	NPC474660
0.906	High Similarity	NPC60413
0.9048	High Similarity	NPC472033
0.9034	High Similarity	NPC105648
0.9028	High Similarity	NPC472366
0.902	High Similarity	NPC324736
0.9013	High Similarity	NPC472050
0.9013	High Similarity	NPC180924
0.9007	High Similarity	NPC208806
0.9007	High Similarity	NPC107109
0.9	High Similarity	NPC58668
0.9	High Similarity	NPC106372
0.8993	High Similarity	NPC70764
0.8993	High Similarity	NPC158338
0.8993	High Similarity	NPC97028
0.8993	High Similarity	NPC6923
0.8993	High Similarity	NPC100985
0.8993	High Similarity	NPC65589
0.8993	High Similarity	NPC288036
0.8993	High Similarity	NPC97029
0.8993	High Similarity	NPC329933
0.8986	High Similarity	NPC137296
0.8986	High Similarity	NPC472036
0.8981	High Similarity	NPC76647
0.898	High Similarity	NPC49282
0.898	High Similarity	NPC312789
0.898	High Similarity	NPC472034
0.898	High Similarity	NPC75694
0.898	High Similarity	NPC28632
0.898	High Similarity	NPC34482
0.8973	High Similarity	NPC469542
0.8973	High Similarity	NPC310340
0.8966	High Similarity	NPC220106
0.8966	High Similarity	NPC90411
0.8966	High Similarity	NPC475730
0.8961	High Similarity	NPC472060
0.8961	High Similarity	NPC472052
0.8961	High Similarity	NPC143050
0.8961	High Similarity	NPC470342
0.8954	High Similarity	NPC96342
0.8954	High Similarity	NPC164110
0.8954	High Similarity	NPC37543
0.8954	High Similarity	NPC199463
0.8954	High Similarity	NPC212967
0.8954	High Similarity	NPC246647
0.8951	High Similarity	NPC213603
0.8951	High Similarity	NPC135837
0.8947	High Similarity	NPC149618
0.8947	High Similarity	NPC38898
0.8947	High Similarity	NPC89625
0.8944	High Similarity	NPC286336
0.894	High Similarity	NPC470340
0.894	High Similarity	NPC281272
0.894	High Similarity	NPC207624
0.8933	High Similarity	NPC202595
0.8933	High Similarity	NPC473466
0.8933	High Similarity	NPC158866
0.8933	High Similarity	NPC205766
0.8926	High Similarity	NPC256672
0.8926	High Similarity	NPC7025
0.8926	High Similarity	NPC216624
0.8926	High Similarity	NPC27221
0.8926	High Similarity	NPC37139
0.8924	High Similarity	NPC99613
0.8924	High Similarity	NPC49487
0.8919	High Similarity	NPC470570
0.8919	High Similarity	NPC138978
0.8919	High Similarity	NPC130176
0.8919	High Similarity	NPC99454
0.8919	High Similarity	NPC267509
0.8919	High Similarity	NPC25844
0.8919	High Similarity	NPC473927
0.8919	High Similarity	NPC196114
0.8917	High Similarity	NPC477835
0.8917	High Similarity	NPC29160
0.8912	High Similarity	NPC21599
0.8912	High Similarity	NPC475201
0.8912	High Similarity	NPC193703
0.8912	High Similarity	NPC48762
0.8912	High Similarity	NPC470932
0.891	High Similarity	NPC300984
0.8904	High Similarity	NPC126534
0.8904	High Similarity	NPC469579
0.8904	High Similarity	NPC474385
0.8904	High Similarity	NPC232021
0.8904	High Similarity	NPC40118
0.8904	High Similarity	NPC18714
0.8903	High Similarity	NPC303565
0.8897	High Similarity	NPC477956
0.8897	High Similarity	NPC168471
0.8896	High Similarity	NPC470339
0.8896	High Similarity	NPC45846
0.8889	High Similarity	NPC472419
0.8889	High Similarity	NPC14561
0.8889	High Similarity	NPC77807
0.8889	High Similarity	NPC191835
0.8889	High Similarity	NPC5379
0.8882	High Similarity	NPC93552
0.8882	High Similarity	NPC155686
0.8882	High Similarity	NPC214632
0.8881	High Similarity	NPC158481
0.8874	High Similarity	NPC215921
0.8874	High Similarity	NPC46882
0.8874	High Similarity	NPC474417
0.8874	High Similarity	NPC72958
0.8874	High Similarity	NPC70016
0.8874	High Similarity	NPC478148
0.8874	High Similarity	NPC23668
0.8874	High Similarity	NPC115324
0.8874	High Similarity	NPC193976
0.8874	High Similarity	NPC232645
0.8874	High Similarity	NPC132990
0.8874	High Similarity	NPC149526
0.8873	High Similarity	NPC242294
0.8873	High Similarity	NPC20560
0.8873	High Similarity	NPC159623
0.8873	High Similarity	NPC263670
0.8873	High Similarity	NPC337373
0.8873	High Similarity	NPC192304
0.8873	High Similarity	NPC294593
0.8873	High Similarity	NPC472365
0.8873	High Similarity	NPC144051
0.8873	High Similarity	NPC82225
0.8873	High Similarity	NPC28753
0.8873	High Similarity	NPC139813
0.8873	High Similarity	NPC312318
0.8873	High Similarity	NPC188646
0.8873	High Similarity	NPC56031
0.8873	High Similarity	NPC175098
0.8873	High Similarity	NPC18877
0.8873	High Similarity	NPC204960
0.8867	High Similarity	NPC65775
0.8867	High Similarity	NPC476684
0.8867	High Similarity	NPC10027
0.8867	High Similarity	NPC80370
0.8861	High Similarity	NPC234331
0.8859	High Similarity	NPC123202
0.8859	High Similarity	NPC52106

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC2569 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	293
0.1-0.2	936
0.2-0.3	1490
0.3-0.4	2417
0.4-0.5	2101
0.5-0.6	1201
0.6-0.7	489
0.7-0.8	183
0.8-0.85	39
0.85-0.9	12
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.898	High Similarity	NPD2534	Approved
0.898	High Similarity	NPD2532	Approved
0.898	High Similarity	NPD2533	Approved
0.8968	High Similarity	NPD6232	Discontinued
0.8958	High Similarity	NPD970	Clinical (unspecified phase)
0.8917	High Similarity	NPD7473	Discontinued
0.8873	High Similarity	NPD1607	Approved
0.8758	High Similarity	NPD7819	Suspended
0.8732	High Similarity	NPD1240	Approved
0.8621	High Similarity	NPD1509	Clinical (unspecified phase)
0.8621	High Similarity	NPD1510	Phase 2
0.8562	High Similarity	NPD2935	Discontinued
0.8497	Intermediate Similarity	NPD3226	Approved
0.8477	Intermediate Similarity	NPD4378	Clinical (unspecified phase)
0.8456	Intermediate Similarity	NPD3750	Approved
0.8442	Intermediate Similarity	NPD6599	Discontinued
0.8428	Intermediate Similarity	NPD6959	Discontinued
0.8354	Intermediate Similarity	NPD3749	Approved
0.8333	Intermediate Similarity	NPD1878	Clinical (unspecified phase)
0.8322	Intermediate Similarity	NPD1549	Phase 2
0.8311	Intermediate Similarity	NPD1551	Phase 2
0.8289	Intermediate Similarity	NPD6799	Approved
0.828	Intermediate Similarity	NPD2801	Approved
0.828	Intermediate Similarity	NPD2393	Clinical (unspecified phase)
0.8269	Intermediate Similarity	NPD7411	Suspended
0.8261	Intermediate Similarity	NPD5711	Approved
0.8261	Intermediate Similarity	NPD5710	Approved
0.8255	Intermediate Similarity	NPD1552	Clinical (unspecified phase)
0.8255	Intermediate Similarity	NPD2346	Discontinued
0.8255	Intermediate Similarity	NPD1550	Clinical (unspecified phase)
0.8239	Intermediate Similarity	NPD7075	Discontinued
0.8217	Intermediate Similarity	NPD1934	Approved
0.8205	Intermediate Similarity	NPD4380	Phase 2
0.8188	Intermediate Similarity	NPD2796	Approved
0.8176	Intermediate Similarity	NPD3882	Suspended
0.8176	Intermediate Similarity	NPD4868	Clinical (unspecified phase)
0.817	Intermediate Similarity	NPD7390	Discontinued
0.817	Intermediate Similarity	NPD1511	Approved
0.8165	Intermediate Similarity	NPD7096	Clinical (unspecified phase)
0.8121	Intermediate Similarity	NPD5844	Phase 1
0.8121	Intermediate Similarity	NPD3748	Approved
0.8117	Intermediate Similarity	NPD7410	Clinical (unspecified phase)
0.8113	Intermediate Similarity	NPD3817	Phase 2
0.8065	Intermediate Similarity	NPD1512	Approved
0.8063	Intermediate Similarity	NPD7768	Phase 2
0.805	Intermediate Similarity	NPD1465	Phase 2
0.8049	Intermediate Similarity	NPD7852	Clinical (unspecified phase)
0.8026	Intermediate Similarity	NPD2800	Approved
0.8012	Intermediate Similarity	NPD4381	Clinical (unspecified phase)
0.8	Intermediate Similarity	NPD8443	Clinical (unspecified phase)
0.8	Intermediate Similarity	NPD2799	Discontinued
0.7987	Intermediate Similarity	NPD6801	Discontinued
0.7977	Intermediate Similarity	NPD7879	Clinical (unspecified phase)
0.7974	Intermediate Similarity	NPD6398	Clinical (unspecified phase)
0.7974	Intermediate Similarity	NPD4628	Phase 3
0.7973	Intermediate Similarity	NPD943	Approved
0.7959	Intermediate Similarity	NPD6859	Clinical (unspecified phase)
0.7952	Intermediate Similarity	NPD3818	Discontinued
0.7947	Intermediate Similarity	NPD5405	Approved
0.7947	Intermediate Similarity	NPD6099	Approved
0.7947	Intermediate Similarity	NPD5404	Approved
0.7947	Intermediate Similarity	NPD6100	Approved
0.7947	Intermediate Similarity	NPD5406	Approved
0.7947	Intermediate Similarity	NPD5408	Approved
0.7919	Intermediate Similarity	NPD230	Phase 1
0.7917	Intermediate Similarity	NPD5953	Discontinued
0.7908	Intermediate Similarity	NPD7421	Clinical (unspecified phase)
0.7908	Intermediate Similarity	NPD1243	Approved
0.7898	Intermediate Similarity	NPD920	Approved
0.7895	Intermediate Similarity	NPD2344	Approved
0.7888	Intermediate Similarity	NPD5402	Approved
0.787	Intermediate Similarity	NPD6559	Discontinued
0.7867	Intermediate Similarity	NPD6651	Approved
0.7862	Intermediate Similarity	NPD1470	Approved
0.7831	Intermediate Similarity	NPD6168	Clinical (unspecified phase)
0.7831	Intermediate Similarity	NPD6167	Clinical (unspecified phase)
0.7831	Intermediate Similarity	NPD6166	Phase 2
0.7805	Intermediate Similarity	NPD5494	Approved
0.7798	Intermediate Similarity	NPD7286	Phase 2
0.7785	Intermediate Similarity	NPD6980	Clinical (unspecified phase)
0.7771	Intermediate Similarity	NPD642	Clinical (unspecified phase)
0.7764	Intermediate Similarity	NPD37	Approved
0.7763	Intermediate Similarity	NPD651	Clinical (unspecified phase)
0.7751	Intermediate Similarity	NPD7074	Phase 3
0.7742	Intermediate Similarity	NPD7003	Approved
0.774	Intermediate Similarity	NPD1203	Approved
0.7719	Intermediate Similarity	NPD4338	Clinical (unspecified phase)
0.7718	Intermediate Similarity	NPD3764	Approved
0.7718	Intermediate Similarity	NPD2313	Discontinued
0.7706	Intermediate Similarity	NPD7993	Clinical (unspecified phase)
0.7692	Intermediate Similarity	NPD7054	Approved
0.7692	Intermediate Similarity	NPD2309	Approved
0.7687	Intermediate Similarity	NPD2798	Approved
0.7673	Intermediate Similarity	NPD5403	Approved
0.7671	Intermediate Similarity	NPD1283	Approved
0.7665	Intermediate Similarity	NPD3926	Phase 2
0.7657	Intermediate Similarity	NPD8397	Clinical (unspecified phase)
0.7655	Intermediate Similarity	NPD3972	Approved
0.7647	Intermediate Similarity	NPD7472	Approved
0.7643	Intermediate Similarity	NPD643	Clinical (unspecified phase)
0.7636	Intermediate Similarity	NPD6234	Discontinued
0.7622	Intermediate Similarity	NPD8151	Discontinued
0.7622	Intermediate Similarity	NPD4967	Phase 2
0.7622	Intermediate Similarity	NPD4966	Approved
0.7622	Intermediate Similarity	NPD4965	Approved
0.7602	Intermediate Similarity	NPD6797	Phase 2
0.76	Intermediate Similarity	NPD411	Approved
0.7588	Intermediate Similarity	NPD7804	Clinical (unspecified phase)
0.7586	Intermediate Similarity	NPD1201	Approved
0.7584	Intermediate Similarity	NPD6832	Phase 2
0.7578	Intermediate Similarity	NPD5808	Clinical (unspecified phase)
0.7578	Intermediate Similarity	NPD7458	Discontinued
0.7572	Intermediate Similarity	NPD8313	Approved
0.7572	Intermediate Similarity	NPD8312	Approved
0.7569	Intermediate Similarity	NPD4626	Approved
0.7566	Intermediate Similarity	NPD447	Suspended
0.7566	Intermediate Similarity	NPD1899	Clinical (unspecified phase)
0.7558	Intermediate Similarity	NPD7251	Discontinued
0.7547	Intermediate Similarity	NPD7004	Clinical (unspecified phase)
0.7547	Intermediate Similarity	NPD5401	Approved
0.7541	Intermediate Similarity	NPD7435	Discontinued
0.7535	Intermediate Similarity	NPD9493	Approved
0.7534	Intermediate Similarity	NPD9717	Approved
0.7534	Intermediate Similarity	NPD1608	Approved
0.7532	Intermediate Similarity	NPD4308	Phase 3
0.753	Intermediate Similarity	NPD919	Approved
0.7514	Intermediate Similarity	NPD7808	Phase 3
0.75	Intermediate Similarity	NPD7229	Phase 3
0.7483	Intermediate Similarity	NPD3268	Approved
0.7473	Intermediate Similarity	NPD6782	Approved
0.7473	Intermediate Similarity	NPD6778	Approved
0.7473	Intermediate Similarity	NPD6779	Approved
0.7473	Intermediate Similarity	NPD6781	Approved
0.7473	Intermediate Similarity	NPD6780	Approved
0.7473	Intermediate Similarity	NPD6777	Approved
0.7473	Intermediate Similarity	NPD6776	Approved
0.7466	Intermediate Similarity	NPD1281	Approved
0.7455	Intermediate Similarity	NPD4288	Approved
0.7452	Intermediate Similarity	NPD2654	Approved
0.7443	Intermediate Similarity	NPD8150	Discontinued
0.7436	Intermediate Similarity	NPD1471	Phase 3
0.7432	Intermediate Similarity	NPD1876	Approved
0.7431	Intermediate Similarity	NPD9545	Approved
0.7427	Intermediate Similarity	NPD3751	Discontinued
0.7417	Intermediate Similarity	NPD4625	Phase 3
0.7415	Intermediate Similarity	NPD9269	Phase 2
0.7413	Intermediate Similarity	NPD405	Clinical (unspecified phase)
0.7386	Intermediate Similarity	NPD2979	Phase 3
0.7383	Intermediate Similarity	NPD1164	Approved
0.7383	Intermediate Similarity	NPD2797	Approved
0.7379	Intermediate Similarity	NPD9268	Approved
0.7379	Intermediate Similarity	NPD1651	Approved
0.7375	Intermediate Similarity	NPD6143	Clinical (unspecified phase)
0.736	Intermediate Similarity	NPD4287	Approved
0.7353	Intermediate Similarity	NPD5242	Approved
0.7351	Intermediate Similarity	NPD7698	Approved
0.7351	Intermediate Similarity	NPD7697	Approved
0.7351	Intermediate Similarity	NPD7696	Phase 3
0.7347	Intermediate Similarity	NPD422	Phase 1
0.7345	Intermediate Similarity	NPD8434	Phase 2
0.7337	Intermediate Similarity	NPD1247	Approved
0.7337	Intermediate Similarity	NPD7199	Phase 2
0.7329	Intermediate Similarity	NPD17	Approved
0.7329	Intermediate Similarity	NPD7422	Clinical (unspecified phase)
0.7326	Intermediate Similarity	NPD7177	Discontinued
0.7326	Intermediate Similarity	NPD7893	Clinical (unspecified phase)
0.7326	Intermediate Similarity	NPD7228	Approved
0.7325	Intermediate Similarity	NPD2343	Clinical (unspecified phase)
0.7314	Intermediate Similarity	NPD4419	Clinical (unspecified phase)
0.7312	Intermediate Similarity	NPD7870	Phase 2
0.7312	Intermediate Similarity	NPD7871	Phase 2
0.7308	Intermediate Similarity	NPD7033	Discontinued
0.7302	Intermediate Similarity	NPD7874	Approved
0.7302	Intermediate Similarity	NPD7875	Clinical (unspecified phase)
0.7288	Intermediate Similarity	NPD8055	Clinical (unspecified phase)
0.7284	Intermediate Similarity	NPD6273	Approved
0.7273	Intermediate Similarity	NPD4307	Phase 2
0.726	Intermediate Similarity	NPD5691	Approved
0.7255	Intermediate Similarity	NPD1699	Clinical (unspecified phase)
0.7251	Intermediate Similarity	NPD7184	Clinical (unspecified phase)
0.7248	Intermediate Similarity	NPD4749	Approved
0.7237	Intermediate Similarity	NPD4908	Phase 1
0.7219	Intermediate Similarity	NPD6917	Clinical (unspecified phase)
0.7198	Intermediate Similarity	NPD6535	Approved
0.7198	Intermediate Similarity	NPD6534	Approved
0.7196	Intermediate Similarity	NPD7701	Phase 2
0.7193	Intermediate Similarity	NPD3787	Discontinued
0.719	Intermediate Similarity	NPD3027	Phase 3
0.7189	Intermediate Similarity	NPD7501	Clinical (unspecified phase)
0.7176	Intermediate Similarity	NPD6746	Phase 2
0.7169	Intermediate Similarity	NPD7615	Clinical (unspecified phase)
0.7161	Intermediate Similarity	NPD4060	Phase 1
0.7159	Intermediate Similarity	NPD3658	Clinical (unspecified phase)
0.7152	Intermediate Similarity	NPD2438	Suspended
0.7152	Intermediate Similarity	NPD3266	Approved
0.7152	Intermediate Similarity	NPD3267	Approved
0.7143	Intermediate Similarity	NPD2296	Approved
0.7143	Intermediate Similarity	NPD5353	Approved
0.7143	Intermediate Similarity	NPD6190	Approved
0.7143	Intermediate Similarity	NPD4907	Clinical (unspecified phase)

Structure

CID2569 OpenBabel06191715322D 24 25 0 0 0 0 0 0 0 0999 V2000 -4.9963 -0.9615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8327 -2.4038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4982 1.4423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3309 -0.9615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1636 0.4808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6654 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8327 -1.4423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1636 -0.4808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6654 -0.9615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8327 0.4808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4982 -0.4808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3309 0.9615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.9615 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 -2.4982 0.4808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6654 0.9615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8327 1.4423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4982 -1.4423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6654 -0.9615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3309 1.9231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6654 1.9231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 1.9231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8327 -1.4423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6654 1.9231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 2 23 1 0 0 0 0 3 24 1 0 0 0 0 4 8 2 0 0 0 0 4 11 1 0 0 0 0 5 8 1 0 0 0 0 5 12 2 0 0 0 0 6 9 2 0 0 0 0 6 10 1 0 0 0 0 7 9 1 0 0 0 0 7 13 2 0 0 0 0 9 18 1 0 0 0 0 10 14 2 0 0 0 0 10 17 1 0 0 0 0 11 15 2 0 0 0 0 11 19 1 0 0 0 0 12 15 1 0 0 0 0 12 20 1 0 0 0 0 13 14 1 0 0 0 0 13 23 1 0 0 0 0 14 16 1 0 0 0 0 15 16 1 0 0 0 0 16 21 2 0 0 0 0 17 22 2 0 0 0 0 17 24 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	160505
ChEMBL	CHEMBL61133
ZINC

Physicochemical Properties

Molecular Weight:	332.09
ALogP:	-1.0433
MLogP:	2.56
XLogP:	1.817
# 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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