NPASS Natural Product

Natural Product: NPC81835

Natural Product ID:	NPC81835
Common Name:	1's-Dihydrophayomphenol A2
IUPAC Name:	(3S,4S)-5,7-dihydroxy-3-[(1S)-1-hydroxyethyl]-4-(4-hydroxyphenyl)-3,4-dihydroisochromen-1-one
Synonyms:	1'S-Dihydrophayomphenol A2
Molecular Formula:	C17H16O6
Standard InCHIKey:	PDFTZITXJDVBHO-OCDRQSPJSA-N
Standard InCHI:	InChI=1S/C17H16O6/c1-8(18)16-14(9-2-4-10(19)5-3-9)15-12(17(22)23-16)6-11(20)7-13(15)21/h2-8,14,16,18-21H,1H3/t8-,14-,16+/m0/s1
Canonical SMILES:	Oc1ccc(cc1)[C@@H]1[C@H](OC(=O)c2c1c(O)cc(c2)O)[C@@H](O)C
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
NPO26194	Shorea roxburghii	Species	Dipterocarpaceae	Eukaryota	Barks			PMID[22209731]

Biological Activity

Activity Type	# Activity
IC50	3
Others	3

Activity Type	# Activity
Individual Protein	6

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT68	Individual Protein	Aldose reductase	Rattus norvegicus	Inhibition	=	18.8	%	24601675
NPT68	Individual Protein	Aldose reductase	Rattus norvegicus	IC50	>	100000	nM	18694614
NPT462	Individual Protein	Sucrase-isomaltase	Rattus norvegicus	Inhibition	=	30.3	%	Open TG-GATES in vivo data: Biochemistry
NPT671	Individual Protein	Acidic alpha-glucosidase	Rattus norvegicus	IC50	>	400000	nM	14664515
NPT462	Individual Protein	Sucrase-isomaltase	Rattus norvegicus	IC50	>	400000	nM	12105963
NPT671	Individual Protein	Acidic alpha-glucosidase	Rattus norvegicus	Inhibition	=	31.4	%	Open TG-GATES in vivo data: Organ Weight

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 NPC81835 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	230
0.1-0.2	905
0.2-0.3	1849
0.3-0.4	3823
0.4-0.5	6907
0.5-0.6	5242
0.6-0.7	3061
0.7-0.8	6825
0.8-0.85	1825
0.85-0.9	214
0.9-0.95	8
0.95-1	0

Similarity Score	Similarity Level	Natural Product ID
0.9375	High Similarity	NPC202112
0.9375	High Similarity	NPC51513
0.9195	High Similarity	NPC125487
0.9195	High Similarity	NPC281703
0.906	High Similarity	NPC70016
0.906	High Similarity	NPC215921
0.9041	High Similarity	NPC83272
0.902	High Similarity	NPC24627
0.898	High Similarity	NPC268366
0.8958	High Similarity	NPC158472
0.8958	High Similarity	NPC155205
0.8919	High Similarity	NPC476463
0.8904	High Similarity	NPC22176
0.8904	High Similarity	NPC190587
0.8904	High Similarity	NPC121573
0.8904	High Similarity	NPC226738
0.8897	High Similarity	NPC53649
0.8889	High Similarity	NPC135222
0.8889	High Similarity	NPC86744
0.8889	High Similarity	NPC474010
0.8882	High Similarity	NPC203757
0.8874	High Similarity	NPC167903
0.8867	High Similarity	NPC56204
0.8851	High Similarity	NPC473023
0.8831	High Similarity	NPC470339
0.8824	High Similarity	NPC227062
0.8819	High Similarity	NPC212693
0.8819	High Similarity	NPC126739
0.8819	High Similarity	NPC197666
0.8819	High Similarity	NPC94248
0.8819	High Similarity	NPC472602
0.8816	High Similarity	NPC144801
0.8816	High Similarity	NPC116850
0.8816	High Similarity	NPC43872
0.8816	High Similarity	NPC238672
0.8816	High Similarity	NPC291510
0.8816	High Similarity	NPC197188
0.8808	High Similarity	NPC200773
0.8808	High Similarity	NPC228662
0.8808	High Similarity	NPC240768
0.88	High Similarity	NPC270160
0.88	High Similarity	NPC237440
0.8794	High Similarity	NPC476389
0.8782	High Similarity	NPC14030
0.8782	High Similarity	NPC291957
0.8774	High Similarity	NPC472055
0.8767	High Similarity	NPC472604
0.8767	High Similarity	NPC472605
0.8767	High Similarity	NPC130485
0.8767	High Similarity	NPC158634
0.8766	High Similarity	NPC257309
0.8758	High Similarity	NPC16082
0.8758	High Similarity	NPC82592
0.8758	High Similarity	NPC478230
0.8758	High Similarity	NPC472890
0.8758	High Similarity	NPC170189
0.8758	High Similarity	NPC69043
0.8758	High Similarity	NPC208173
0.875	High Similarity	NPC261292
0.875	High Similarity	NPC301915
0.875	High Similarity	NPC71256
0.875	High Similarity	NPC184284
0.875	High Similarity	NPC76041
0.875	High Similarity	NPC70380
0.8742	High Similarity	NPC225854
0.8742	High Similarity	NPC140151
0.8742	High Similarity	NPC469670
0.8742	High Similarity	NPC469619
0.8733	High Similarity	NPC221352
0.8726	High Similarity	NPC470898
0.8716	High Similarity	NPC210425
0.8716	High Similarity	NPC151607
0.8716	High Similarity	NPC277426
0.8716	High Similarity	NPC42540
0.8716	High Similarity	NPC86373
0.8716	High Similarity	NPC280404
0.8699	High Similarity	NPC472601
0.8699	High Similarity	NPC472600
0.8693	High Similarity	NPC281477
0.8693	High Similarity	NPC478231
0.8693	High Similarity	NPC303950
0.869	High Similarity	NPC191835
0.869	High Similarity	NPC33144
0.869	High Similarity	NPC478200
0.8684	High Similarity	NPC227485
0.8681	High Similarity	NPC235115
0.8675	High Similarity	NPC306343
0.8667	High Similarity	NPC142528
0.8667	High Similarity	NPC166583
0.8667	High Similarity	NPC53362
0.8667	High Similarity	NPC120621
0.8667	High Similarity	NPC248257
0.8658	High Similarity	NPC131766
0.8658	High Similarity	NPC257558
0.8654	High Similarity	NPC24164
0.8654	High Similarity	NPC472902
0.8654	High Similarity	NPC53889
0.8649	High Similarity	NPC469542
0.8649	High Similarity	NPC159721
0.8649	High Similarity	NPC471731
0.8649	High Similarity	NPC478202
0.8649	High Similarity	NPC51106
0.8645	High Similarity	NPC114179
0.8645	High Similarity	NPC472889
0.8645	High Similarity	NPC190020
0.8645	High Similarity	NPC160512
0.8645	High Similarity	NPC289322
0.8645	High Similarity	NPC84935
0.8645	High Similarity	NPC156818
0.8645	High Similarity	NPC478225
0.8645	High Similarity	NPC38779
0.8645	High Similarity	NPC77679
0.8645	High Similarity	NPC68324
0.8639	High Similarity	NPC472035
0.8639	High Similarity	NPC313123
0.8639	High Similarity	NPC478217
0.8639	High Similarity	NPC478201
0.8639	High Similarity	NPC472603
0.8636	High Similarity	NPC478221
0.8636	High Similarity	NPC99381
0.863	High Similarity	NPC105456
0.863	High Similarity	NPC247409
0.863	High Similarity	NPC105525
0.863	High Similarity	NPC75763
0.863	High Similarity	NPC12218
0.863	High Similarity	NPC88269
0.863	High Similarity	NPC139634
0.863	High Similarity	NPC32360
0.863	High Similarity	NPC225036
0.8627	High Similarity	NPC478224
0.8627	High Similarity	NPC474843
0.8627	High Similarity	NPC115249
0.8627	High Similarity	NPC180944
0.8627	High Similarity	NPC470340
0.8627	High Similarity	NPC295646
0.8618	High Similarity	NPC470107
0.8618	High Similarity	NPC472891
0.8616	High Similarity	NPC175793
0.8611	High Similarity	NPC142027
0.8609	High Similarity	NPC73411
0.8609	High Similarity	NPC92117
0.8609	High Similarity	NPC215711
0.8609	High Similarity	NPC94781
0.8609	High Similarity	NPC42464
0.86	High Similarity	NPC470570
0.8591	High Similarity	NPC478203
0.8591	High Similarity	NPC126882
0.8591	High Similarity	NPC210966
0.859	High Similarity	NPC87317
0.8581	High Similarity	NPC471787
0.8581	High Similarity	NPC474385
0.8581	High Similarity	NPC88803
0.8581	High Similarity	NPC471733
0.8581	High Similarity	NPC150227
0.8581	High Similarity	NPC104983
0.8581	High Similarity	NPC300845
0.8581	High Similarity	NPC137649
0.8581	High Similarity	NPC82913
0.8581	High Similarity	NPC472050
0.8581	High Similarity	NPC250436
0.8581	High Similarity	NPC291948
0.8581	High Similarity	NPC469579
0.8581	High Similarity	NPC322112
0.8581	High Similarity	NPC250755
0.8571	High Similarity	NPC137301
0.8571	High Similarity	NPC64664
0.8571	High Similarity	NPC470272
0.8562	High Similarity	NPC217781
0.8562	High Similarity	NPC75695
0.8562	High Similarity	NPC107009
0.8562	High Similarity	NPC221249
0.8562	High Similarity	NPC311389
0.8562	High Similarity	NPC470271
0.8553	High Similarity	NPC89442
0.8553	High Similarity	NPC162169
0.8553	High Similarity	NPC247219
0.8553	High Similarity	NPC166851
0.8553	High Similarity	NPC7752
0.8553	High Similarity	NPC476684
0.8553	High Similarity	NPC471788
0.8553	High Similarity	NPC473091
0.8552	High Similarity	NPC156892
0.8544	High Similarity	NPC473445
0.8544	High Similarity	NPC472964
0.8544	High Similarity	NPC42797
0.8543	High Similarity	NPC43123
0.8543	High Similarity	NPC210320
0.8543	High Similarity	NPC472036
0.8533	High Similarity	NPC34482
0.8528	High Similarity	NPC171706
0.8526	High Similarity	NPC299520
0.8526	High Similarity	NPC472860
0.8526	High Similarity	NPC129684
0.8526	High Similarity	NPC108456
0.8523	High Similarity	NPC472610
0.8523	High Similarity	NPC472006
0.8519	High Similarity	NPC472620
0.8516	High Similarity	NPC317585
0.8516	High Similarity	NPC31018
0.8516	High Similarity	NPC156624

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC81835 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	241
0.1-0.2	759
0.2-0.3	1409
0.3-0.4	2280
0.4-0.5	2259
0.5-0.6	1354
0.6-0.7	624
0.7-0.8	210
0.8-0.85	24
0.85-0.9	1
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.8581	High Similarity	NPD4868	Clinical (unspecified phase)
0.8395	Intermediate Similarity	NPD5844	Phase 1
0.8377	Intermediate Similarity	NPD4380	Phase 2
0.8345	Intermediate Similarity	NPD230	Phase 1
0.8333	Intermediate Similarity	NPD7819	Suspended
0.8291	Intermediate Similarity	NPD7075	Discontinued
0.8269	Intermediate Similarity	NPD1934	Approved
0.8255	Intermediate Similarity	NPD970	Clinical (unspecified phase)
0.8217	Intermediate Similarity	NPD1465	Phase 2
0.8217	Intermediate Similarity	NPD7096	Clinical (unspecified phase)
0.8217	Intermediate Similarity	NPD2393	Clinical (unspecified phase)
0.8199	Intermediate Similarity	NPD6232	Discontinued
0.8176	Intermediate Similarity	NPD4381	Clinical (unspecified phase)
0.816	Intermediate Similarity	NPD7473	Discontinued
0.8146	Intermediate Similarity	NPD3750	Approved
0.8146	Intermediate Similarity	NPD4628	Phase 3
0.8092	Intermediate Similarity	NPD6190	Approved
0.8072	Intermediate Similarity	NPD7993	Clinical (unspecified phase)
0.8052	Intermediate Similarity	NPD2532	Approved
0.8052	Intermediate Similarity	NPD2534	Approved
0.8052	Intermediate Similarity	NPD2533	Approved
0.8038	Intermediate Similarity	NPD6801	Discontinued
0.8014	Intermediate Similarity	NPD3764	Approved
0.8013	Intermediate Similarity	NPD1549	Phase 2
0.8	Intermediate Similarity	NPD3818	Discontinued
0.7988	Intermediate Similarity	NPD6166	Phase 2
0.7988	Intermediate Similarity	NPD6167	Clinical (unspecified phase)
0.7988	Intermediate Similarity	NPD6168	Clinical (unspecified phase)
0.7987	Intermediate Similarity	NPD2801	Approved
0.7987	Intermediate Similarity	NPD6799	Approved
0.7947	Intermediate Similarity	NPD1552	Clinical (unspecified phase)
0.7947	Intermediate Similarity	NPD1550	Clinical (unspecified phase)
0.7937	Intermediate Similarity	NPD3817	Phase 2
0.7937	Intermediate Similarity	NPD5402	Approved
0.7933	Intermediate Similarity	NPD1510	Phase 2
0.7933	Intermediate Similarity	NPD1509	Clinical (unspecified phase)
0.7925	Intermediate Similarity	NPD37	Approved
0.7911	Intermediate Similarity	NPD6599	Discontinued
0.7905	Intermediate Similarity	NPD943	Approved
0.7904	Intermediate Similarity	NPD7074	Phase 3
0.7901	Intermediate Similarity	NPD6234	Discontinued
0.7895	Intermediate Similarity	NPD8150	Discontinued
0.7888	Intermediate Similarity	NPD3882	Suspended
0.7888	Intermediate Similarity	NPD4966	Approved
0.7888	Intermediate Similarity	NPD4967	Phase 2
0.7888	Intermediate Similarity	NPD4965	Approved
0.7881	Intermediate Similarity	NPD2935	Discontinued
0.787	Intermediate Similarity	NPD4338	Clinical (unspecified phase)
0.7862	Intermediate Similarity	NPD7411	Suspended
0.7853	Intermediate Similarity	NPD5494	Approved
0.7848	Intermediate Similarity	NPD5808	Clinical (unspecified phase)
0.7844	Intermediate Similarity	NPD7054	Approved
0.784	Intermediate Similarity	NPD3749	Approved
0.7826	Intermediate Similarity	NPD8443	Clinical (unspecified phase)
0.7821	Intermediate Similarity	NPD4378	Clinical (unspecified phase)
0.7816	Intermediate Similarity	NPD7879	Clinical (unspecified phase)
0.7815	Intermediate Similarity	NPD3748	Approved
0.7811	Intermediate Similarity	NPD6559	Discontinued
0.7805	Intermediate Similarity	NPD7199	Phase 2
0.7805	Intermediate Similarity	NPD6959	Discontinued
0.7798	Intermediate Similarity	NPD7472	Approved
0.7785	Intermediate Similarity	NPD1240	Approved
0.7784	Intermediate Similarity	NPD7228	Approved
0.777	Intermediate Similarity	NPD6859	Clinical (unspecified phase)
0.7763	Intermediate Similarity	NPD2796	Approved
0.7756	Intermediate Similarity	NPD1511	Approved
0.7751	Intermediate Similarity	NPD6797	Phase 2
0.7738	Intermediate Similarity	NPD7804	Clinical (unspecified phase)
0.773	Intermediate Similarity	NPD9545	Approved
0.7727	Intermediate Similarity	NPD7421	Clinical (unspecified phase)
0.7722	Intermediate Similarity	NPD5403	Approved
0.7708	Intermediate Similarity	NPD9269	Phase 2
0.7707	Intermediate Similarity	NPD7004	Clinical (unspecified phase)
0.7706	Intermediate Similarity	NPD7251	Discontinued
0.7697	Intermediate Similarity	NPD651	Clinical (unspecified phase)
0.7682	Intermediate Similarity	NPD1607	Approved
0.7677	Intermediate Similarity	NPD6398	Clinical (unspecified phase)
0.7669	Intermediate Similarity	NPD7768	Phase 2
0.7665	Intermediate Similarity	NPD7852	Clinical (unspecified phase)
0.7661	Intermediate Similarity	NPD7808	Phase 3
0.7658	Intermediate Similarity	NPD1512	Approved
0.7647	Intermediate Similarity	NPD5405	Approved
0.7647	Intermediate Similarity	NPD5404	Approved
0.7647	Intermediate Similarity	NPD5406	Approved
0.7647	Intermediate Similarity	NPD5408	Approved
0.7643	Intermediate Similarity	NPD7390	Discontinued
0.763	Intermediate Similarity	NPD8055	Clinical (unspecified phase)
0.7616	Intermediate Similarity	NPD8312	Approved
0.7616	Intermediate Similarity	NPD8313	Approved
0.761	Intermediate Similarity	NPD6980	Clinical (unspecified phase)
0.7605	Intermediate Similarity	NPD7184	Clinical (unspecified phase)
0.7602	Intermediate Similarity	NPD7685	Pre-registration
0.7597	Intermediate Similarity	NPD2346	Discontinued
0.7597	Intermediate Similarity	NPD7266	Discontinued
0.7595	Intermediate Similarity	NPD5401	Approved
0.7574	Intermediate Similarity	NPD3751	Discontinued
0.7564	Intermediate Similarity	NPD1878	Clinical (unspecified phase)
0.7552	Intermediate Similarity	NPD9268	Approved
0.755	Intermediate Similarity	NPD1613	Approved
0.755	Intermediate Similarity	NPD4060	Phase 1
0.755	Intermediate Similarity	NPD1612	Clinical (unspecified phase)
0.7547	Intermediate Similarity	NPD6273	Approved
0.7545	Intermediate Similarity	NPD5710	Approved
0.7545	Intermediate Similarity	NPD5711	Approved
0.7545	Intermediate Similarity	NPD7229	Phase 3
0.7532	Intermediate Similarity	NPD6100	Approved
0.7532	Intermediate Similarity	NPD6099	Approved
0.7532	Intermediate Similarity	NPD1551	Phase 2
0.7516	Intermediate Similarity	NPD7458	Discontinued
0.7516	Intermediate Similarity	NPD3226	Approved
0.75	Intermediate Similarity	NPD6355	Discontinued
0.7484	Intermediate Similarity	NPD7410	Clinical (unspecified phase)
0.7468	Intermediate Similarity	NPD2799	Discontinued
0.7467	Intermediate Similarity	NPD3027	Phase 3
0.7452	Intermediate Similarity	NPD7003	Approved
0.7452	Intermediate Similarity	NPD8166	Discontinued
0.7446	Intermediate Similarity	NPD8320	Phase 1
0.7446	Intermediate Similarity	NPD8319	Approved
0.744	Intermediate Similarity	NPD3787	Discontinued
0.7432	Intermediate Similarity	NPD2797	Approved
0.7432	Intermediate Similarity	NPD1470	Approved
0.743	Intermediate Similarity	NPD6534	Approved
0.743	Intermediate Similarity	NPD6535	Approved
0.7423	Intermediate Similarity	NPD7615	Clinical (unspecified phase)
0.7421	Intermediate Similarity	NPD6143	Clinical (unspecified phase)
0.7417	Intermediate Similarity	NPD3268	Approved
0.7417	Intermediate Similarity	NPD6798	Discontinued
0.7401	Intermediate Similarity	NPD8397	Clinical (unspecified phase)
0.74	Intermediate Similarity	NPD4908	Phase 1
0.7399	Intermediate Similarity	NPD7240	Approved
0.7396	Intermediate Similarity	NPD5242	Approved
0.7394	Intermediate Similarity	NPD5353	Approved
0.7391	Intermediate Similarity	NPD7435	Discontinued
0.7386	Intermediate Similarity	NPD8434	Phase 2
0.738	Intermediate Similarity	NPD8151	Discontinued
0.7375	Intermediate Similarity	NPD7422	Clinical (unspecified phase)
0.7347	Intermediate Similarity	NPD1608	Approved
0.7346	Intermediate Similarity	NPD1653	Approved
0.7343	Intermediate Similarity	NPD9493	Approved
0.7322	Intermediate Similarity	NPD6776	Approved
0.7322	Intermediate Similarity	NPD6782	Approved
0.7322	Intermediate Similarity	NPD6780	Approved
0.7322	Intermediate Similarity	NPD6781	Approved
0.7322	Intermediate Similarity	NPD6778	Approved
0.7322	Intermediate Similarity	NPD6777	Approved
0.7322	Intermediate Similarity	NPD6779	Approved
0.7308	Intermediate Similarity	NPD7700	Phase 2
0.7308	Intermediate Similarity	NPD7699	Phase 2
0.7308	Intermediate Similarity	NPD2438	Suspended
0.7303	Intermediate Similarity	NPD4907	Clinical (unspecified phase)
0.7301	Intermediate Similarity	NPD3455	Phase 2
0.7289	Intermediate Similarity	NPD4288	Approved
0.7285	Intermediate Similarity	NPD1529	Clinical (unspecified phase)
0.7284	Intermediate Similarity	NPD920	Approved
0.7279	Intermediate Similarity	NPD1201	Approved
0.7279	Intermediate Similarity	NPD1610	Phase 2
0.7278	Intermediate Similarity	NPD1652	Phase 2
0.7273	Intermediate Similarity	NPD447	Suspended
0.7273	Intermediate Similarity	NPD5124	Phase 1
0.7273	Intermediate Similarity	NPD5123	Clinical (unspecified phase)
0.7255	Intermediate Similarity	NPD6233	Phase 2
0.7255	Intermediate Similarity	NPD6663	Approved
0.7248	Intermediate Similarity	NPD1283	Approved
0.7244	Intermediate Similarity	NPD7033	Discontinued
0.7244	Intermediate Similarity	NPD4308	Phase 3
0.7241	Intermediate Similarity	NPD5953	Discontinued
0.7237	Intermediate Similarity	NPD5952	Clinical (unspecified phase)
0.7229	Intermediate Similarity	NPD8455	Phase 2
0.7225	Intermediate Similarity	NPD7286	Phase 2
0.7219	Intermediate Similarity	NPD1530	Clinical (unspecified phase)
0.7219	Intermediate Similarity	NPD9494	Approved
0.7219	Intermediate Similarity	NPD5736	Approved
0.7208	Intermediate Similarity	NPD2979	Phase 3
0.72	Intermediate Similarity	NPD1203	Approved
0.72	Intermediate Similarity	NPD1164	Approved
0.719	Intermediate Similarity	NPD2313	Discontinued
0.7182	Intermediate Similarity	NPD6214	Clinical (unspecified phase)
0.7182	Intermediate Similarity	NPD6213	Phase 3
0.7182	Intermediate Similarity	NPD6212	Phase 3
0.7176	Intermediate Similarity	NPD8127	Discontinued
0.7171	Intermediate Similarity	NPD6832	Phase 2
0.717	Intermediate Similarity	NPD2800	Approved
0.7161	Intermediate Similarity	NPD1899	Clinical (unspecified phase)
0.716	Intermediate Similarity	NPD919	Approved
0.716	Intermediate Similarity	NPD642	Clinical (unspecified phase)
0.7158	Intermediate Similarity	NPD7875	Clinical (unspecified phase)
0.7158	Intermediate Similarity	NPD7874	Approved
0.7152	Intermediate Similarity	NPD5762	Approved
0.7152	Intermediate Similarity	NPD2344	Approved
0.7152	Intermediate Similarity	NPD5763	Approved
0.7152	Intermediate Similarity	NPD2798	Approved
0.7152	Intermediate Similarity	NPD2343	Clinical (unspecified phase)
0.7143	Intermediate Similarity	NPD17	Approved
0.7143	Intermediate Similarity	NPD7236	Approved
0.7135	Intermediate Similarity	NPD7501	Clinical (unspecified phase)
0.7124	Intermediate Similarity	NPD4625	Phase 3
0.712	Intermediate Similarity	NPD7783	Phase 2
0.712	Intermediate Similarity	NPD7782	Clinical (unspecified phase)
0.7112	Intermediate Similarity	NPD7698	Approved
0.7112	Intermediate Similarity	NPD7696	Phase 3

Structure

NPC81835 OpenBabel07101719512D 23 25 0 0 1 0 0 0 0 0999 V2000 -2.5981 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 -3.0000 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 -2.5981 -3.5000 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 1.7321 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7321 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4641 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 -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 -0.0000 -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 1 0 0 0 0 0 0 0 0 0 -0.0000 -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 2 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 -1.7321 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3301 -3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 -3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 -3.5000 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 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 2 9 2 0 0 0 0 3 5 2 0 0 0 0 3 9 1 0 0 0 0 4 10 2 0 0 0 0 5 10 1 0 0 0 0 6 11 2 0 0 0 0 6 12 1 0 0 0 0 7 11 1 0 0 0 0 7 13 2 0 0 0 0 8 1 1 6 0 0 0 8 18 1 0 0 0 0 10 19 1 0 0 0 0 11 20 1 0 0 0 0 12 15 2 0 0 0 0 12 17 1 0 0 0 0 13 15 1 0 0 0 0 13 21 1 0 0 0 0 14 9 1 6 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 8 1 1 0 0 0 16 23 1 0 0 0 0 17 22 2 0 0 0 0 17 23 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	57402410
ChEMBL	CHEMBL1939271
ZINC

Physicochemical Properties

Molecular Weight:	316.09
ALogP:	-2.1127
MLogP:	2.67
XLogP:	1.239
# Rotatable Bonds:	7
Polar Surface Area:	107.22
# H-Bond Aceptor:	3
# H-Bond Donor:	4
# Rings:	3
# Heavy Atoms:	23

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