NPASS Natural Product

Natural Product: NPC94076

Natural Product ID:	NPC94076
Common Name:	Torachrysone
IUPAC Name:	1-(1,8-dihydroxy-6-methoxy-3-methylnaphthalen-2-yl)ethanone
Synonyms:	Torachrysone
Molecular Formula:	C14H14O4
Standard InCHIKey:	BIJOPUWEMBBDEG-UHFFFAOYSA-N
Standard InCHI:	InChI=1S/C14H14O4/c1-7-4-9-5-10(18-3)6-11(16)13(9)14(17)12(7)8(2)15/h4-6,16-17H,1-3H3
Canonical SMILES:	COc1cc(O)c2c(c1)cc(c(c2O)C(=O)C)C
First Find Year:
Max Developmental Stage:
Synthetic Gene Cluster:	;

Species Source

Organism ID	Organism Name	Taxonomy Level	Family	SuperKingdom	Reference
NPO7672	Senna tora	Species	Fabaceae	Eukaryota	TCMID*
NPO27557	Toona sinensis	Species	Meliaceae	Eukaryota	TCMID*
NPO18932	Melia azedarach	Species	Meliaceae	Eukaryota	TCMID*
NPO29609	Polygoni cuspidati rhizoma et radix	NA	NA	NA	TCMSP*
NPO6265	Toosendan fructus	NA	NA	NA	TCMSP*
NPO29648	Cassiae semen	NA	NA	NA	TCMSP*
NPO18932	Melia azedarach	Species	Meliaceae	Eukaryota	HerDing*
NPO27557	Toona sinensis	Species	Meliaceae	Eukaryota	HerDing*
NPO31089	Melia toosendan	Species	Meliaceae	Eukaryota	HerDing*
NPO31136	Cassia tora	Species	Fabaceae	Eukaryota	HerDing*
NPO25238	Rheum coreanum	Species	Polygonaceae	Eukaryota	TM-MC*
NPO20881	Rheum officinale	Species	Polygonaceae	Eukaryota	TM-MC*
NPO28024	Rheum palmatum	Species	Polygonaceae	Eukaryota	TM-MC*
NPO7632	Rheum tanguticum	Species	Polygonaceae	Eukaryota	TM-MC*
NPO18932.1	Melia azedarach var. toosendan	Varieties	Meliaceae	Eukaryota	TCMID*

Biological Activity

Activity Type	# Activity
MIC	1

Activity Type	# Activity
Organism	1

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT88	Organism	Mycobacterium tuberculosis	Mycobacterium tuberculosis	MIC	=	6100	nM	22280816

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 NPC94076 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	277
0.1-0.2	1349
0.2-0.3	2529
0.3-0.4	6192
0.4-0.5	6936
0.5-0.6	2486
0.6-0.7	4310
0.7-0.8	3996
0.8-0.85	1834
0.85-0.9	849
0.9-0.95	108
0.95-1	23

Similarity Score	Similarity Level	Natural Product ID
1.0	High Similarity	NPC182255
0.9926	High Similarity	NPC84266
0.9643	High Similarity	NPC7943
0.9643	High Similarity	NPC22005
0.9643	High Similarity	NPC34802
0.9643	High Similarity	NPC123202
0.9574	High Similarity	NPC7025
0.9574	High Similarity	NPC27221
0.9574	High Similarity	NPC256672
0.9507	High Similarity	NPC97028
0.9507	High Similarity	NPC288036
0.9507	High Similarity	NPC97029
0.9507	High Similarity	NPC329933
0.9507	High Similarity	NPC65589
0.9507	High Similarity	NPC158338
0.9507	High Similarity	NPC100985
0.9504	High Similarity	NPC118027
0.9504	High Similarity	NPC56433
0.9504	High Similarity	NPC245584
0.9504	High Similarity	NPC126767
0.9504	High Similarity	NPC312929
0.9504	High Similarity	NPC289042
0.9504	High Similarity	NPC190648
0.9441	High Similarity	NPC325983
0.9433	High Similarity	NPC225173
0.9433	High Similarity	NPC163846
0.9429	High Similarity	NPC19896
0.942	High Similarity	NPC165172
0.9375	High Similarity	NPC232645
0.9375	High Similarity	NPC72958
0.9375	High Similarity	NPC474417
0.9375	High Similarity	NPC149526
0.9366	High Similarity	NPC125801
0.931	High Similarity	NPC87708
0.9306	High Similarity	NPC470568
0.9306	High Similarity	NPC255641
0.9306	High Similarity	NPC119929
0.9306	High Similarity	NPC147735
0.9306	High Similarity	NPC202595
0.9306	High Similarity	NPC294646
0.9306	High Similarity	NPC290954
0.9286	High Similarity	NPC49108
0.9281	High Similarity	NPC472366
0.9247	High Similarity	NPC210942
0.9247	High Similarity	NPC169990
0.9247	High Similarity	NPC329844
0.9241	High Similarity	NPC470569
0.9241	High Similarity	NPC258249
0.9241	High Similarity	NPC478148
0.9236	High Similarity	NPC291049
0.9236	High Similarity	NPC233267
0.9225	High Similarity	NPC28632
0.922	High Similarity	NPC310340
0.9214	High Similarity	NPC275734
0.9184	High Similarity	NPC226656
0.9184	High Similarity	NPC66508
0.9178	High Similarity	NPC175978
0.9178	High Similarity	NPC40356
0.9178	High Similarity	NPC154683
0.9167	High Similarity	NPC2569
0.9167	High Similarity	NPC105415
0.9167	High Similarity	NPC172329
0.9155	High Similarity	NPC189650
0.9149	High Similarity	NPC232021
0.9149	High Similarity	NPC126534
0.9149	High Similarity	NPC40118
0.9149	High Similarity	NPC250755
0.9143	High Similarity	NPC109232
0.913	High Similarity	NPC13575
0.913	High Similarity	NPC158481
0.9122	High Similarity	NPC180924
0.9116	High Similarity	NPC107109
0.9116	High Similarity	NPC93552
0.9116	High Similarity	NPC208806
0.911	High Similarity	NPC133856
0.9103	High Similarity	NPC80370
0.9085	High Similarity	NPC297600
0.9085	High Similarity	NPC167663
0.9078	High Similarity	NPC110810
0.9078	High Similarity	NPC11056
0.9078	High Similarity	NPC265178
0.9071	High Similarity	NPC472368
0.9071	High Similarity	NPC21350
0.9065	High Similarity	NPC1486
0.9065	High Similarity	NPC193792
0.9065	High Similarity	NPC12165
0.9065	High Similarity	NPC186838
0.9065	High Similarity	NPC476333
0.9065	High Similarity	NPC249606
0.9065	High Similarity	NPC472364
0.9065	High Similarity	NPC168105
0.9065	High Similarity	NPC66349
0.9065	High Similarity	NPC274109
0.9065	High Similarity	NPC473391
0.9065	High Similarity	NPC472367
0.9065	High Similarity	NPC150399
0.9065	High Similarity	NPC477242
0.9065	High Similarity	NPC98115
0.9065	High Similarity	NPC41461
0.9065	High Similarity	NPC25287
0.9065	High Similarity	NPC477243
0.9065	High Similarity	NPC477244
0.906	High Similarity	NPC246647
0.906	High Similarity	NPC96342
0.906	High Similarity	NPC164110
0.906	High Similarity	NPC212967
0.9058	High Similarity	NPC182496
0.9058	High Similarity	NPC180905
0.9058	High Similarity	NPC103842
0.9051	High Similarity	NPC267205
0.9048	High Similarity	NPC273483
0.9048	High Similarity	NPC217447
0.9037	High Similarity	NPC230818
0.9034	High Similarity	NPC216624
0.9028	High Similarity	NPC138978
0.9028	High Similarity	NPC267509
0.9028	High Similarity	NPC473927
0.9021	High Similarity	NPC21599
0.9021	High Similarity	NPC475201
0.9021	High Similarity	NPC193703
0.9021	High Similarity	NPC48762
0.9014	High Similarity	NPC103752
0.9014	High Similarity	NPC18714
0.9007	High Similarity	NPC295384
0.9007	High Similarity	NPC477956
0.9007	High Similarity	NPC168471
0.9	High Similarity	NPC472419
0.9	High Similarity	NPC324736
0.9	High Similarity	NPC212767
0.9	High Similarity	NPC153979
0.9	High Similarity	NPC317119
0.8993	High Similarity	NPC5379
0.8993	High Similarity	NPC14561
0.8993	High Similarity	NPC156092
0.8993	High Similarity	NPC131039
0.8993	High Similarity	NPC242712
0.8993	High Similarity	NPC77807
0.8986	High Similarity	NPC82225
0.8986	High Similarity	NPC18877
0.8986	High Similarity	NPC294593
0.8986	High Similarity	NPC28753
0.8986	High Similarity	NPC204960
0.8986	High Similarity	NPC159623
0.8986	High Similarity	NPC214632
0.8986	High Similarity	NPC20560
0.8986	High Similarity	NPC144051
0.898	High Similarity	NPC230848
0.8978	High Similarity	NPC27490
0.8978	High Similarity	NPC313618
0.8973	High Similarity	NPC65775
0.8973	High Similarity	NPC10027
0.8971	High Similarity	NPC84772
0.8966	High Similarity	NPC71055
0.8958	High Similarity	NPC49282
0.8958	High Similarity	NPC34482
0.8958	High Similarity	NPC32470
0.8958	High Similarity	NPC473692
0.8958	High Similarity	NPC134621
0.8944	High Similarity	NPC259166
0.8944	High Similarity	NPC144118
0.8944	High Similarity	NPC80962
0.8944	High Similarity	NPC326109
0.8944	High Similarity	NPC101366
0.8944	High Similarity	NPC220106
0.8944	High Similarity	NPC219917
0.8944	High Similarity	NPC204985
0.8944	High Similarity	NPC253822
0.8944	High Similarity	NPC172250
0.8944	High Similarity	NPC215311
0.8944	High Similarity	NPC213659
0.8944	High Similarity	NPC48624
0.894	High Similarity	NPC470342
0.894	High Similarity	NPC186325
0.894	High Similarity	NPC472060
0.894	High Similarity	NPC472052
0.8936	High Similarity	NPC251681
0.8936	High Similarity	NPC57380
0.8936	High Similarity	NPC243528
0.8933	High Similarity	NPC263483
0.8933	High Similarity	NPC37543
0.8933	High Similarity	NPC178976
0.8933	High Similarity	NPC199463
0.8929	High Similarity	NPC213603
0.8929	High Similarity	NPC135837
0.8929	High Similarity	NPC24394
0.8926	High Similarity	NPC148938
0.8926	High Similarity	NPC149618
0.8926	High Similarity	NPC89625
0.8921	High Similarity	NPC286336
0.8921	High Similarity	NPC125920
0.8913	High Similarity	NPC205468
0.8913	High Similarity	NPC215875
0.8913	High Similarity	NPC257756
0.8913	High Similarity	NPC212631
0.8913	High Similarity	NPC129132
0.8913	High Similarity	NPC15834
0.8913	High Similarity	NPC87231
0.8912	High Similarity	NPC158866
0.8912	High Similarity	NPC227122
0.8905	High Similarity	NPC324482

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC94076 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	310
0.1-0.2	1013
0.2-0.3	1443
0.3-0.4	2580
0.4-0.5	1981
0.5-0.6	1154
0.6-0.7	479
0.7-0.8	153
0.8-0.85	31
0.85-0.9	16
0.9-0.95	1
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.9124	High Similarity	NPD1607	Approved
0.8978	High Similarity	NPD1240	Approved
0.8936	High Similarity	NPD970	Clinical (unspecified phase)
0.8857	High Similarity	NPD1509	Clinical (unspecified phase)
0.8857	High Similarity	NPD1510	Phase 2
0.8758	High Similarity	NPD6959	Discontinued
0.8701	High Similarity	NPD6232	Discontinued
0.8699	High Similarity	NPD2533	Approved
0.8699	High Similarity	NPD2532	Approved
0.8699	High Similarity	NPD4378	Clinical (unspecified phase)
0.8699	High Similarity	NPD2534	Approved
0.8654	High Similarity	NPD7473	Discontinued
0.8609	High Similarity	NPD7819	Suspended
0.8601	High Similarity	NPD1550	Clinical (unspecified phase)
0.8601	High Similarity	NPD1552	Clinical (unspecified phase)
0.8542	High Similarity	NPD1549	Phase 2
0.8503	High Similarity	NPD7390	Discontinued
0.8487	Intermediate Similarity	NPD2393	Clinical (unspecified phase)
0.8378	Intermediate Similarity	NPD1511	Approved
0.8322	Intermediate Similarity	NPD7410	Clinical (unspecified phase)
0.8312	Intermediate Similarity	NPD8443	Clinical (unspecified phase)
0.8301	Intermediate Similarity	NPD1934	Approved
0.8289	Intermediate Similarity	NPD4380	Phase 2
0.8276	Intermediate Similarity	NPD2935	Discontinued
0.8267	Intermediate Similarity	NPD1512	Approved
0.8231	Intermediate Similarity	NPD2800	Approved
0.8194	Intermediate Similarity	NPD6651	Approved
0.8176	Intermediate Similarity	NPD3750	Approved
0.8151	Intermediate Similarity	NPD1551	Phase 2
0.8151	Intermediate Similarity	NPD2796	Approved
0.8129	Intermediate Similarity	NPD2801	Approved
0.8117	Intermediate Similarity	NPD7411	Suspended
0.8108	Intermediate Similarity	NPD1243	Approved
0.8105	Intermediate Similarity	NPD3226	Approved
0.8089	Intermediate Similarity	NPD3749	Approved
0.8089	Intermediate Similarity	NPD7075	Discontinued
0.8056	Intermediate Similarity	NPD943	Approved
0.8052	Intermediate Similarity	NPD6599	Discontinued
0.8043	Intermediate Similarity	NPD1201	Approved
0.8027	Intermediate Similarity	NPD6099	Approved
0.8027	Intermediate Similarity	NPD6100	Approved
0.8025	Intermediate Similarity	NPD7768	Phase 2
0.8025	Intermediate Similarity	NPD3882	Suspended
0.8013	Intermediate Similarity	NPD7096	Clinical (unspecified phase)
0.8012	Intermediate Similarity	NPD7852	Clinical (unspecified phase)
0.8	Intermediate Similarity	NPD5710	Approved
0.8	Intermediate Similarity	NPD1283	Approved
0.8	Intermediate Similarity	NPD5711	Approved
0.7975	Intermediate Similarity	NPD5844	Phase 1
0.7973	Intermediate Similarity	NPD2346	Discontinued
0.7956	Intermediate Similarity	NPD1651	Approved
0.7943	Intermediate Similarity	NPD1470	Approved
0.7905	Intermediate Similarity	NPD5404	Approved
0.7905	Intermediate Similarity	NPD5406	Approved
0.7905	Intermediate Similarity	NPD5408	Approved
0.7905	Intermediate Similarity	NPD5405	Approved
0.7895	Intermediate Similarity	NPD6799	Approved
0.7857	Intermediate Similarity	NPD920	Approved
0.7852	Intermediate Similarity	NPD2344	Approved
0.7847	Intermediate Similarity	NPD4625	Phase 3
0.7838	Intermediate Similarity	NPD3748	Approved
0.7834	Intermediate Similarity	NPD6801	Discontinued
0.7831	Intermediate Similarity	NPD6559	Discontinued
0.7829	Intermediate Similarity	NPD643	Clinical (unspecified phase)
0.7815	Intermediate Similarity	NPD1878	Clinical (unspecified phase)
0.7791	Intermediate Similarity	NPD6166	Phase 2
0.7791	Intermediate Similarity	NPD6167	Clinical (unspecified phase)
0.7791	Intermediate Similarity	NPD6168	Clinical (unspecified phase)
0.7786	Intermediate Similarity	NPD1281	Approved
0.7785	Intermediate Similarity	NPD1465	Phase 2
0.7764	Intermediate Similarity	NPD5494	Approved
0.775	Intermediate Similarity	NPD4381	Clinical (unspecified phase)
0.7748	Intermediate Similarity	NPD7421	Clinical (unspecified phase)
0.7736	Intermediate Similarity	NPD3817	Phase 2
0.7727	Intermediate Similarity	NPD642	Clinical (unspecified phase)
0.7718	Intermediate Similarity	NPD2799	Discontinued
0.7718	Intermediate Similarity	NPD651	Clinical (unspecified phase)
0.7702	Intermediate Similarity	NPD919	Approved
0.7697	Intermediate Similarity	NPD6398	Clinical (unspecified phase)
0.7697	Intermediate Similarity	NPD7003	Approved
0.7671	Intermediate Similarity	NPD6859	Clinical (unspecified phase)
0.7651	Intermediate Similarity	NPD7804	Clinical (unspecified phase)
0.7647	Intermediate Similarity	NPD2309	Approved
0.7607	Intermediate Similarity	NPD1247	Approved
0.7606	Intermediate Similarity	NPD3972	Approved
0.7605	Intermediate Similarity	NPD7074	Phase 3
0.759	Intermediate Similarity	NPD3818	Discontinued
0.7582	Intermediate Similarity	NPD4628	Phase 3
0.7578	Intermediate Similarity	NPD4868	Clinical (unspecified phase)
0.7574	Intermediate Similarity	NPD4419	Clinical (unspecified phase)
0.7569	Intermediate Similarity	NPD1164	Approved
0.7569	Intermediate Similarity	NPD1203	Approved
0.756	Intermediate Similarity	NPD5953	Discontinued
0.7545	Intermediate Similarity	NPD7054	Approved
0.7532	Intermediate Similarity	NPD5808	Clinical (unspecified phase)
0.7529	Intermediate Similarity	NPD7879	Clinical (unspecified phase)
0.7518	Intermediate Similarity	NPD4626	Approved
0.7517	Intermediate Similarity	NPD230	Phase 1
0.7517	Intermediate Similarity	NPD2798	Approved
0.7516	Intermediate Similarity	NPD2654	Approved
0.7515	Intermediate Similarity	NPD3926	Phase 2
0.75	Intermediate Similarity	NPD7422	Clinical (unspecified phase)
0.75	Intermediate Similarity	NPD1471	Phase 3
0.75	Intermediate Similarity	NPD7472	Approved
0.7483	Intermediate Similarity	NPD1608	Approved
0.7456	Intermediate Similarity	NPD6797	Phase 2
0.744	Intermediate Similarity	NPD7286	Phase 2
0.7432	Intermediate Similarity	NPD411	Approved
0.7432	Intermediate Similarity	NPD2313	Discontinued
0.7432	Intermediate Similarity	NPD4907	Clinical (unspecified phase)
0.7421	Intermediate Similarity	NPD7458	Discontinued
0.7414	Intermediate Similarity	NPD8397	Clinical (unspecified phase)
0.7413	Intermediate Similarity	NPD1610	Phase 2
0.7412	Intermediate Similarity	NPD7251	Discontinued
0.7405	Intermediate Similarity	NPD6980	Clinical (unspecified phase)
0.7397	Intermediate Similarity	NPD6917	Clinical (unspecified phase)
0.7391	Intermediate Similarity	NPD37	Approved
0.7389	Intermediate Similarity	NPD7004	Clinical (unspecified phase)
0.7379	Intermediate Similarity	NPD1876	Approved
0.7368	Intermediate Similarity	NPD7808	Phase 3
0.7361	Intermediate Similarity	NPD9717	Approved
0.7357	Intermediate Similarity	NPD9493	Approved
0.7357	Intermediate Similarity	NPD405	Clinical (unspecified phase)
0.7349	Intermediate Similarity	NPD7229	Phase 3
0.7333	Intermediate Similarity	NPD2979	Phase 3
0.7315	Intermediate Similarity	NPD3764	Approved
0.731	Intermediate Similarity	NPD3600	Clinical (unspecified phase)
0.731	Intermediate Similarity	NPD4749	Approved
0.7301	Intermediate Similarity	NPD5402	Approved
0.7297	Intermediate Similarity	NPD8151	Discontinued
0.7297	Intermediate Similarity	NPD4908	Phase 1
0.7296	Intermediate Similarity	NPD5403	Approved
0.7292	Intermediate Similarity	NPD422	Phase 1
0.7292	Intermediate Similarity	NPD1547	Clinical (unspecified phase)
0.7278	Intermediate Similarity	NPD7177	Discontinued
0.7278	Intermediate Similarity	NPD5401	Approved
0.7273	Intermediate Similarity	NPD17	Approved
0.7273	Intermediate Similarity	NPD6234	Discontinued
0.7267	Intermediate Similarity	NPD4338	Clinical (unspecified phase)
0.7256	Intermediate Similarity	NPD4966	Approved
0.7256	Intermediate Similarity	NPD4967	Phase 2
0.7256	Intermediate Similarity	NPD4965	Approved
0.7255	Intermediate Similarity	NPD4308	Phase 3
0.7254	Intermediate Similarity	NPD1548	Phase 1
0.7254	Intermediate Similarity	NPD9545	Approved
0.7238	Intermediate Similarity	NPD6779	Approved
0.7238	Intermediate Similarity	NPD6780	Approved
0.7238	Intermediate Similarity	NPD7501	Clinical (unspecified phase)
0.7238	Intermediate Similarity	NPD6782	Approved
0.7238	Intermediate Similarity	NPD6776	Approved
0.7238	Intermediate Similarity	NPD6777	Approved
0.7238	Intermediate Similarity	NPD6781	Approved
0.7238	Intermediate Similarity	NPD6778	Approved
0.723	Intermediate Similarity	NPD1530	Clinical (unspecified phase)
0.7225	Intermediate Similarity	NPD8313	Approved
0.7225	Intermediate Similarity	NPD8312	Approved
0.7208	Intermediate Similarity	NPD2438	Suspended
0.7203	Intermediate Similarity	NPD5691	Approved
0.72	Intermediate Similarity	NPD1699	Clinical (unspecified phase)
0.72	Intermediate Similarity	NPD6410	Clinical (unspecified phase)
0.72	Intermediate Similarity	NPD3268	Approved
0.7195	Intermediate Similarity	NPD4288	Approved
0.7181	Intermediate Similarity	NPD6832	Phase 2
0.7181	Intermediate Similarity	NPD1529	Clinical (unspecified phase)
0.7176	Intermediate Similarity	NPD3751	Discontinued
0.7171	Intermediate Similarity	NPD447	Suspended
0.7171	Intermediate Similarity	NPD1899	Clinical (unspecified phase)
0.7151	Intermediate Similarity	NPD4360	Phase 2
0.7151	Intermediate Similarity	NPD7993	Clinical (unspecified phase)
0.7151	Intermediate Similarity	NPD4363	Phase 3
0.7133	Intermediate Similarity	NPD3027	Phase 3
0.712	Intermediate Similarity	NPD7697	Approved
0.712	Intermediate Similarity	NPD7698	Approved
0.712	Intermediate Similarity	NPD7696	Phase 3
0.712	Intermediate Similarity	NPD7435	Discontinued
0.7119	Intermediate Similarity	NPD4287	Approved
0.7114	Intermediate Similarity	NPD9494	Approved
0.7111	Intermediate Similarity	NPD4362	Clinical (unspecified phase)
0.7111	Intermediate Similarity	NPD4361	Phase 2
0.7107	Intermediate Similarity	NPD6143	Clinical (unspecified phase)
0.7105	Intermediate Similarity	NPD1612	Clinical (unspecified phase)
0.7105	Intermediate Similarity	NPD1613	Approved
0.7105	Intermediate Similarity	NPD4060	Phase 1
0.7102	Intermediate Similarity	NPD8150	Discontinued
0.7097	Intermediate Similarity	NPD2531	Phase 2
0.7095	Intermediate Similarity	NPD2797	Approved
0.7093	Intermediate Similarity	NPD1729	Discontinued
0.7091	Intermediate Similarity	NPD2296	Approved
0.7083	Intermediate Similarity	NPD4196	Clinical (unspecified phase)
0.7083	Intermediate Similarity	NPD7199	Phase 2
0.7081	Intermediate Similarity	NPD7870	Phase 2
0.7081	Intermediate Similarity	NPD7871	Phase 2
0.7076	Intermediate Similarity	NPD7893	Clinical (unspecified phase)
0.7055	Intermediate Similarity	NPD1611	Approved
0.7051	Intermediate Similarity	NPD2343	Clinical (unspecified phase)
0.7041	Intermediate Similarity	NPD3787	Discontinued
0.7032	Intermediate Similarity	NPD7033	Discontinued
0.7019	Intermediate Similarity	NPD6273	Approved
0.7011	Intermediate Similarity	NPD3658	Clinical (unspecified phase)
0.7007	Intermediate Similarity	NPD9269	Phase 2

Structure

External Identifiers

PubChem CID	5321977
ChEMBL	CHEMBL2204398
ZINC

Physicochemical Properties

Molecular Weight:	246.09
ALogP:	-0.5843
MLogP:	2.56
XLogP:	1.923
# Rotatable Bonds:	7
Polar Surface Area:	66.76
# H-Bond Aceptor:	1
# H-Bond Donor:	2
# Rings:	2
# Heavy Atoms:	18

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