NPASS Natural Product

Natural Product: NPC142846

Natural Product ID:	NPC142846
Common Name:	n.a.
IUPAC Name:
Synonyms:
Molecular Formula:	C20H14O6
Standard InCHIKey:	UBVHBTLDPUYTDO-RNQOJCNYSA-N
Standard InCHI:	InChI=1S/C20H14O6/c21-9-4-2-8-7-1-3-10(22)14-12(7)16(18-19(26-18)17(14)24)20(25)6-5-11(23)13(9)15(8)20/h1-4,16,18-19,21-22,25H,5-6H2/t16-,18+,19-,20-/m0/s1
Canonical SMILES:	Oc1ccc2c3c1C(=O)[C@@H]1O[C@@H]1[C@H]3[C@]1(c3c2ccc(c3C(=O)CC1)O)O
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
NPO33081	alternaria tenuissima que1se	Species	Pleosporaceae	Eukaryota	endophyte of Quercus emoryi			PMID[25260957]

Biological Activity

Activity Type	# Activity
IC50	1
Others	2

Activity Type	# Activity
Organism	2
Others	1

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT24	Organism	Human immunodeficiency virus 1	Human immunodeficiency virus 1	IC50	=	210	nM	19459694
NPT24	Organism	Human immunodeficiency virus 1	Human immunodeficiency virus 1	Inhibition	=	97	%	19459694
NPT2	Others	Unspecified		Ratio CC50/IC50	=	6.5		3351854

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 NPC142846 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	323
0.1-0.2	1206
0.2-0.3	2234
0.3-0.4	5157
0.4-0.5	7782
0.5-0.6	4538
0.6-0.7	5111
0.7-0.8	4336
0.8-0.85	183
0.85-0.9	14
0.9-0.95	2
0.95-1	3

Similarity Score	Similarity Level	Natural Product ID
0.9718	High Similarity	NPC472134
0.9514	High Similarity	NPC472135
0.9514	High Similarity	NPC215593
0.9301	High Similarity	NPC85310
0.9167	High Similarity	NPC469520
0.8828	High Similarity	NPC103337
0.8828	High Similarity	NPC114620
0.8824	High Similarity	NPC478133
0.8649	High Similarity	NPC308572
0.8618	High Similarity	NPC120171
0.8553	High Similarity	NPC290160
0.8544	High Similarity	NPC137232
0.8544	High Similarity	NPC478134
0.8543	High Similarity	NPC285122
0.8533	High Similarity	NPC218866
0.8533	High Similarity	NPC84568
0.8533	High Similarity	NPC48130
0.8533	High Similarity	NPC300684
0.8506	High Similarity	NPC205918
0.8487	Intermediate Similarity	NPC119767
0.8481	Intermediate Similarity	NPC184326
0.8481	Intermediate Similarity	NPC292863
0.8477	Intermediate Similarity	NPC170055
0.8467	Intermediate Similarity	NPC296752
0.8462	Intermediate Similarity	NPC314257
0.8456	Intermediate Similarity	NPC477275
0.8431	Intermediate Similarity	NPC94781
0.8428	Intermediate Similarity	NPC18380
0.8418	Intermediate Similarity	NPC195167
0.8414	Intermediate Similarity	NPC314048
0.8411	Intermediate Similarity	NPC471906
0.84	Intermediate Similarity	NPC19631
0.84	Intermediate Similarity	NPC257644
0.84	Intermediate Similarity	NPC239136
0.8397	Intermediate Similarity	NPC474824
0.8397	Intermediate Similarity	NPC470408
0.8397	Intermediate Similarity	NPC218870
0.8397	Intermediate Similarity	NPC182921
0.8387	Intermediate Similarity	NPC477276
0.8378	Intermediate Similarity	NPC13715
0.8377	Intermediate Similarity	NPC478219
0.8377	Intermediate Similarity	NPC477221
0.8366	Intermediate Similarity	NPC290194
0.8344	Intermediate Similarity	NPC451542
0.8344	Intermediate Similarity	NPC471682
0.8344	Intermediate Similarity	NPC266469
0.8344	Intermediate Similarity	NPC313047
0.8344	Intermediate Similarity	NPC295712
0.8344	Intermediate Similarity	NPC474203
0.8333	Intermediate Similarity	NPC110810
0.8333	Intermediate Similarity	NPC106519
0.8333	Intermediate Similarity	NPC91019
0.8323	Intermediate Similarity	NPC315520
0.8313	Intermediate Similarity	NPC472261
0.8312	Intermediate Similarity	NPC290695
0.8312	Intermediate Similarity	NPC106524
0.8301	Intermediate Similarity	NPC147250
0.8291	Intermediate Similarity	NPC474861
0.8289	Intermediate Similarity	NPC79627
0.8289	Intermediate Similarity	NPC227841
0.8288	Intermediate Similarity	NPC52407
0.828	Intermediate Similarity	NPC472211
0.828	Intermediate Similarity	NPC478218
0.8278	Intermediate Similarity	NPC474961
0.8276	Intermediate Similarity	NPC72669
0.8276	Intermediate Similarity	NPC474517
0.8261	Intermediate Similarity	NPC478229
0.8258	Intermediate Similarity	NPC280753
0.8258	Intermediate Similarity	NPC44378
0.8255	Intermediate Similarity	NPC173980
0.825	Intermediate Similarity	NPC284495
0.8247	Intermediate Similarity	NPC52161
0.8247	Intermediate Similarity	NPC37709
0.8247	Intermediate Similarity	NPC162751
0.8235	Intermediate Similarity	NPC471683
0.8235	Intermediate Similarity	NPC478160
0.8231	Intermediate Similarity	NPC472262
0.8231	Intermediate Similarity	NPC161964
0.8231	Intermediate Similarity	NPC287604
0.8224	Intermediate Similarity	NPC293545
0.8224	Intermediate Similarity	NPC174905
0.8219	Intermediate Similarity	NPC70622
0.8212	Intermediate Similarity	NPC246638
0.8212	Intermediate Similarity	NPC305845
0.8212	Intermediate Similarity	NPC204045
0.8205	Intermediate Similarity	NPC477914
0.8205	Intermediate Similarity	NPC205766
0.82	Intermediate Similarity	NPC190457
0.8199	Intermediate Similarity	NPC219686
0.8182	Intermediate Similarity	NPC143685
0.8182	Intermediate Similarity	NPC136878
0.8182	Intermediate Similarity	NPC470570
0.8176	Intermediate Similarity	NPC80035
0.8176	Intermediate Similarity	NPC283088
0.817	Intermediate Similarity	NPC29932
0.817	Intermediate Similarity	NPC48762
0.817	Intermediate Similarity	NPC21599
0.817	Intermediate Similarity	NPC193703
0.817	Intermediate Similarity	NPC244691
0.817	Intermediate Similarity	NPC477913
0.8163	Intermediate Similarity	NPC225051
0.8158	Intermediate Similarity	NPC137649
0.8158	Intermediate Similarity	NPC135524
0.8155	Intermediate Similarity	NPC470334
0.8148	Intermediate Similarity	NPC15374
0.8148	Intermediate Similarity	NPC315772
0.8146	Intermediate Similarity	NPC169452
0.8146	Intermediate Similarity	NPC181560
0.8146	Intermediate Similarity	NPC225243
0.8141	Intermediate Similarity	NPC329933
0.8138	Intermediate Similarity	NPC99731
0.8129	Intermediate Similarity	NPC5568
0.8125	Intermediate Similarity	NPC317580
0.8121	Intermediate Similarity	NPC175477
0.8121	Intermediate Similarity	NPC300307
0.8121	Intermediate Similarity	NPC474813
0.8121	Intermediate Similarity	NPC155211
0.8117	Intermediate Similarity	NPC34482
0.8117	Intermediate Similarity	NPC474630
0.8117	Intermediate Similarity	NPC12402
0.8113	Intermediate Similarity	NPC66029
0.8113	Intermediate Similarity	NPC3449
0.8108	Intermediate Similarity	NPC50924
0.8108	Intermediate Similarity	NPC44437
0.8105	Intermediate Similarity	NPC354984
0.8105	Intermediate Similarity	NPC478164
0.8101	Intermediate Similarity	NPC478220
0.8095	Intermediate Similarity	NPC478190
0.8095	Intermediate Similarity	NPC17843
0.8084	Intermediate Similarity	NPC470333
0.8084	Intermediate Similarity	NPC470335
0.8084	Intermediate Similarity	NPC470336
0.8082	Intermediate Similarity	NPC136588
0.8082	Intermediate Similarity	NPC199253
0.8079	Intermediate Similarity	NPC138099
0.8079	Intermediate Similarity	NPC26924
0.8079	Intermediate Similarity	NPC242994
0.8075	Intermediate Similarity	NPC326084
0.8075	Intermediate Similarity	NPC228654
0.8075	Intermediate Similarity	NPC295090
0.8075	Intermediate Similarity	NPC472617
0.8075	Intermediate Similarity	NPC324736
0.8072	Intermediate Similarity	NPC478021
0.8067	Intermediate Similarity	NPC261292
0.8067	Intermediate Similarity	NPC53206
0.8067	Intermediate Similarity	NPC53414
0.8067	Intermediate Similarity	NPC305060
0.8067	Intermediate Similarity	NPC301915
0.8067	Intermediate Similarity	NPC471905
0.8067	Intermediate Similarity	NPC245923
0.8065	Intermediate Similarity	NPC202112
0.8065	Intermediate Similarity	NPC314437
0.8065	Intermediate Similarity	NPC51513
0.8063	Intermediate Similarity	NPC478223
0.8061	Intermediate Similarity	NPC225419
0.8061	Intermediate Similarity	NPC471295
0.8052	Intermediate Similarity	NPC10764
0.805	Intermediate Similarity	NPC474621
0.805	Intermediate Similarity	NPC474622
0.805	Intermediate Similarity	NPC329844
0.805	Intermediate Similarity	NPC209393
0.805	Intermediate Similarity	NPC205172
0.8049	Intermediate Similarity	NPC478022
0.8049	Intermediate Similarity	NPC472049
0.8049	Intermediate Similarity	NPC478020
0.8041	Intermediate Similarity	NPC267205
0.8041	Intermediate Similarity	NPC171968
0.8039	Intermediate Similarity	NPC73061
0.8039	Intermediate Similarity	NPC193555
0.8038	Intermediate Similarity	NPC230848
0.8038	Intermediate Similarity	NPC474417
0.8038	Intermediate Similarity	NPC149526
0.8027	Intermediate Similarity	NPC244699
0.8027	Intermediate Similarity	NPC93015
0.8027	Intermediate Similarity	NPC41847
0.8026	Intermediate Similarity	NPC315578
0.8026	Intermediate Similarity	NPC168471
0.8026	Intermediate Similarity	NPC96421
0.8025	Intermediate Similarity	NPC470342
0.8025	Intermediate Similarity	NPC475449
0.8025	Intermediate Similarity	NPC472052
0.8025	Intermediate Similarity	NPC472618
0.8025	Intermediate Similarity	NPC472060
0.8024	Intermediate Similarity	NPC294501
0.8024	Intermediate Similarity	NPC4200
0.8013	Intermediate Similarity	NPC34802
0.8013	Intermediate Similarity	NPC476821
0.8013	Intermediate Similarity	NPC478018
0.8012	Intermediate Similarity	NPC206641
0.8012	Intermediate Similarity	NPC208651
0.8	Intermediate Similarity	NPC254847
0.8	Intermediate Similarity	NPC192219
0.8	Intermediate Similarity	NPC226656
0.8	Intermediate Similarity	NPC66508
0.8	Intermediate Similarity	NPC318270
0.8	Intermediate Similarity	NPC70318
0.8	Intermediate Similarity	NPC478019
0.8	Intermediate Similarity	NPC82190
0.8	Intermediate Similarity	NPC477835
0.8	Intermediate Similarity	NPC191976

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC142846 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	322
0.1-0.2	906
0.2-0.3	1563
0.3-0.4	2762
0.4-0.5	2079
0.5-0.6	1077
0.6-0.7	344
0.7-0.8	105
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
0.8289	Intermediate Similarity	NPD7390	Discontinued
0.8086	Intermediate Similarity	NPD6959	Discontinued
0.8	Intermediate Similarity	NPD1509	Clinical (unspecified phase)
0.7986	Intermediate Similarity	NPD1470	Approved
0.7958	Intermediate Similarity	NPD1201	Approved
0.7947	Intermediate Similarity	NPD5405	Approved
0.7947	Intermediate Similarity	NPD5404	Approved
0.7947	Intermediate Similarity	NPD5406	Approved
0.7947	Intermediate Similarity	NPD5408	Approved
0.7885	Intermediate Similarity	NPD7422	Clinical (unspecified phase)
0.767	Intermediate Similarity	NPD7879	Clinical (unspecified phase)
0.7658	Intermediate Similarity	NPD4378	Clinical (unspecified phase)
0.7644	Intermediate Similarity	NPD8150	Discontinued
0.7574	Intermediate Similarity	NPD7473	Discontinued
0.7561	Intermediate Similarity	NPD8443	Clinical (unspecified phase)
0.7532	Intermediate Similarity	NPD3300	Phase 2
0.7531	Intermediate Similarity	NPD4380	Phase 2
0.7529	Intermediate Similarity	NPD3751	Discontinued
0.75	Intermediate Similarity	NPD3787	Discontinued
0.75	Intermediate Similarity	NPD6232	Discontinued
0.75	Intermediate Similarity	NPD2393	Clinical (unspecified phase)
0.7471	Intermediate Similarity	NPD8312	Approved
0.7471	Intermediate Similarity	NPD8313	Approved
0.7469	Intermediate Similarity	NPD3226	Approved
0.7458	Intermediate Similarity	NPD8397	Clinical (unspecified phase)
0.7436	Intermediate Similarity	NPD1552	Clinical (unspecified phase)
0.7436	Intermediate Similarity	NPD1550	Clinical (unspecified phase)
0.7419	Intermediate Similarity	NPD651	Clinical (unspecified phase)
0.7419	Intermediate Similarity	NPD1510	Phase 2
0.7412	Intermediate Similarity	NPD6167	Clinical (unspecified phase)
0.7412	Intermediate Similarity	NPD6166	Phase 2
0.7412	Intermediate Similarity	NPD6168	Clinical (unspecified phase)
0.7394	Intermediate Similarity	NPD7819	Suspended
0.7389	Intermediate Similarity	NPD1549	Phase 2
0.7389	Intermediate Similarity	NPD6534	Approved
0.7389	Intermediate Similarity	NPD6535	Approved
0.7386	Intermediate Similarity	NPD943	Approved
0.7368	Intermediate Similarity	NPD3764	Approved
0.7365	Intermediate Similarity	NPD3749	Approved
0.7365	Intermediate Similarity	NPD7075	Discontinued
0.7333	Intermediate Similarity	NPD1934	Approved
0.7329	Intermediate Similarity	NPD2533	Approved
0.7329	Intermediate Similarity	NPD2532	Approved
0.7329	Intermediate Similarity	NPD2534	Approved
0.7329	Intermediate Similarity	NPD7410	Clinical (unspecified phase)
0.7312	Intermediate Similarity	NPD8320	Phase 1
0.7312	Intermediate Similarity	NPD8319	Approved
0.731	Intermediate Similarity	NPD7852	Clinical (unspecified phase)
0.7308	Intermediate Similarity	NPD3299	Clinical (unspecified phase)
0.7296	Intermediate Similarity	NPD7003	Approved
0.7289	Intermediate Similarity	NPD7096	Clinical (unspecified phase)
0.7284	Intermediate Similarity	NPD1512	Approved
0.7283	Intermediate Similarity	NPD6779	Approved
0.7283	Intermediate Similarity	NPD6780	Approved
0.7283	Intermediate Similarity	NPD7804	Clinical (unspecified phase)
0.7283	Intermediate Similarity	NPD6778	Approved
0.7283	Intermediate Similarity	NPD6777	Approved
0.7283	Intermediate Similarity	NPD6776	Approved
0.7283	Intermediate Similarity	NPD6781	Approved
0.7283	Intermediate Similarity	NPD6782	Approved
0.7278	Intermediate Similarity	NPD970	Clinical (unspecified phase)
0.7268	Intermediate Similarity	NPD7699	Phase 2
0.7268	Intermediate Similarity	NPD7700	Phase 2
0.7258	Intermediate Similarity	NPD7435	Discontinued
0.725	Intermediate Similarity	NPD6190	Approved
0.7229	Intermediate Similarity	NPD6801	Discontinued
0.7219	Intermediate Similarity	NPD7870	Phase 2
0.7219	Intermediate Similarity	NPD7871	Phase 2
0.7215	Intermediate Similarity	NPD2346	Discontinued
0.7202	Intermediate Similarity	NPD7768	Phase 2
0.7202	Intermediate Similarity	NPD3882	Suspended
0.7184	Intermediate Similarity	NPD5844	Phase 1
0.7181	Intermediate Similarity	NPD7211	Clinical (unspecified phase)
0.7179	Intermediate Similarity	NPD1607	Approved
0.7176	Intermediate Similarity	NPD5494	Approved
0.7172	Intermediate Similarity	NPD405	Clinical (unspecified phase)
0.7169	Intermediate Similarity	NPD7411	Suspended
0.7166	Intermediate Similarity	NPD7698	Approved
0.7166	Intermediate Similarity	NPD7697	Approved
0.7166	Intermediate Similarity	NPD7696	Phase 3
0.7161	Intermediate Similarity	NPD1240	Approved
0.716	Intermediate Similarity	NPD1511	Approved
0.7152	Intermediate Similarity	NPD1164	Approved
0.7152	Intermediate Similarity	NPD2935	Discontinued
0.7152	Intermediate Similarity	NPD7458	Discontinued
0.7152	Intermediate Similarity	NPD5808	Clinical (unspecified phase)
0.7125	Intermediate Similarity	NPD7421	Clinical (unspecified phase)
0.7102	Intermediate Similarity	NPD6797	Phase 2
0.7083	Intermediate Similarity	NPD2801	Approved
0.7081	Intermediate Similarity	NPD3750	Approved
0.7081	Intermediate Similarity	NPD8166	Discontinued
0.7062	Intermediate Similarity	NPD7251	Discontinued
0.7059	Intermediate Similarity	NPD4381	Clinical (unspecified phase)
0.7044	Intermediate Similarity	NPD2796	Approved
0.7041	Intermediate Similarity	NPD5402	Approved
0.7041	Intermediate Similarity	NPD3817	Phase 2
0.7031	Intermediate Similarity	NPD7875	Clinical (unspecified phase)
0.7031	Intermediate Similarity	NPD7874	Approved
0.7022	Intermediate Similarity	NPD4338	Clinical (unspecified phase)
0.7022	Intermediate Similarity	NPD7808	Phase 3
0.7019	Intermediate Similarity	NPD2800	Approved
0.7016	Intermediate Similarity	NPD7701	Phase 2
0.7012	Intermediate Similarity	NPD7004	Clinical (unspecified phase)
0.7006	Intermediate Similarity	NPD6599	Discontinued
0.7006	Intermediate Similarity	NPD7993	Clinical (unspecified phase)
0.7	Intermediate Similarity	NPD8055	Clinical (unspecified phase)
0.7	Intermediate Similarity	NPD4868	Clinical (unspecified phase)
0.7	Intermediate Similarity	NPD2344	Approved
0.6995	Remote Similarity	NPD7801	Approved
0.6981	Remote Similarity	NPD2799	Discontinued
0.698	Remote Similarity	NPD3019	Approved
0.6957	Remote Similarity	NPD6213	Phase 3
0.6957	Remote Similarity	NPD6212	Phase 3
0.6957	Remote Similarity	NPD6214	Clinical (unspecified phase)
0.6951	Remote Similarity	NPD6799	Approved
0.6949	Remote Similarity	NPD7074	Phase 3
0.6932	Remote Similarity	NPD3818	Discontinued
0.6927	Remote Similarity	NPD4955	Approved
0.6927	Remote Similarity	NPD4954	Approved
0.6927	Remote Similarity	NPD36	Approved
0.6927	Remote Similarity	NPD5034	Approved
0.6927	Remote Similarity	NPD5026	Approved
0.6927	Remote Similarity	NPD5028	Approved
0.6923	Remote Similarity	NPD2313	Discontinued
0.6894	Remote Similarity	NPD1471	Phase 3
0.6893	Remote Similarity	NPD7054	Approved
0.6891	Remote Similarity	NPD8151	Discontinued
0.689	Remote Similarity	NPD7236	Approved
0.6882	Remote Similarity	NPD1465	Phase 2
0.6879	Remote Similarity	NPD6663	Approved
0.6872	Remote Similarity	NPD5030	Phase 2
0.6872	Remote Similarity	NPD6559	Discontinued
0.6868	Remote Similarity	NPD5038	Approved
0.6868	Remote Similarity	NPD5037	Approved
0.6867	Remote Similarity	NPD2932	Approved
0.6867	Remote Similarity	NPD6273	Approved
0.6854	Remote Similarity	NPD7472	Approved
0.6842	Remote Similarity	NPD6823	Phase 2
0.6839	Remote Similarity	NPD5736	Approved
0.6839	Remote Similarity	NPD1247	Approved
0.6836	Remote Similarity	NPD7177	Discontinued
0.6829	Remote Similarity	NPD2309	Approved
0.6826	Remote Similarity	NPD920	Approved
0.6826	Remote Similarity	NPD5403	Approved
0.6813	Remote Similarity	NPD5036	Approved
0.6807	Remote Similarity	NPD5401	Approved
0.68	Remote Similarity	NPD5711	Approved
0.68	Remote Similarity	NPD5710	Approved
0.6776	Remote Similarity	NPD8434	Phase 2
0.677	Remote Similarity	NPD3748	Approved
0.6768	Remote Similarity	NPD4628	Phase 3
0.6766	Remote Similarity	NPD8155	Clinical (unspecified phase)
0.6753	Remote Similarity	NPD1283	Approved
0.675	Remote Similarity	NPD6651	Approved
0.6735	Remote Similarity	NPD7783	Phase 2
0.6735	Remote Similarity	NPD7782	Clinical (unspecified phase)
0.6733	Remote Similarity	NPD9545	Approved
0.673	Remote Similarity	NPD4060	Phase 1
0.6728	Remote Similarity	NPD1551	Phase 2
0.6728	Remote Similarity	NPD6100	Approved
0.6728	Remote Similarity	NPD6099	Approved
0.6724	Remote Similarity	NPD919	Approved
0.6707	Remote Similarity	NPD642	Clinical (unspecified phase)
0.6705	Remote Similarity	NPD7229	Phase 3
0.6703	Remote Similarity	NPD5035	Approved
0.6689	Remote Similarity	NPD4196	Clinical (unspecified phase)
0.6687	Remote Similarity	NPD230	Phase 1
0.6686	Remote Similarity	NPD5761	Phase 2
0.6686	Remote Similarity	NPD7239	Suspended
0.6686	Remote Similarity	NPD5760	Phase 2
0.6686	Remote Similarity	NPD8455	Phase 2
0.6685	Remote Similarity	NPD5027	Approved
0.6685	Remote Similarity	NPD5029	Approved
0.6685	Remote Similarity	NPD5031	Approved
0.6667	Remote Similarity	NPD1547	Clinical (unspecified phase)
0.6667	Remote Similarity	NPD2342	Discontinued
0.6667	Remote Similarity	NPD3400	Discontinued
0.6667	Remote Similarity	NPD2798	Approved
0.6648	Remote Similarity	NPD4419	Clinical (unspecified phase)
0.6647	Remote Similarity	NPD8438	Clinical (unspecified phase)
0.6629	Remote Similarity	NPD6234	Discontinued
0.6628	Remote Similarity	NPD37	Approved
0.6625	Remote Similarity	NPD2979	Phase 3
0.6611	Remote Similarity	NPD7286	Phase 2
0.6609	Remote Similarity	NPD4965	Approved
0.6609	Remote Similarity	NPD4966	Approved
0.6609	Remote Similarity	NPD4967	Phase 2
0.6604	Remote Similarity	NPD4907	Clinical (unspecified phase)
0.6603	Remote Similarity	NPD3094	Phase 2
0.6601	Remote Similarity	NPD3026	Approved
0.6601	Remote Similarity	NPD3023	Approved
0.6597	Remote Similarity	NPD8285	Discontinued
0.6593	Remote Similarity	NPD5039	Approved
0.6593	Remote Similarity	NPD7685	Pre-registration
0.6587	Remote Similarity	NPD643	Clinical (unspecified phase)
0.6585	Remote Similarity	NPD2343	Clinical (unspecified phase)
0.6579	Remote Similarity	NPD1651	Approved
0.6579	Remote Similarity	NPD3024	Approved
0.6579	Remote Similarity	NPD3025	Approved
0.6575	Remote Similarity	NPD4956	Approved

Structure

NPC142846 OpenBabel07101718322D 26 31 0 0 1 0 0 0 0 0999 V2000 2.5981 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8576 -2.3102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4945 -1.8759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1055 0.0258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5948 -0.2201 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 3.1631 -1.9757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4369 -1.1072 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 3.6163 -0.2201 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 3.7424 -0.7728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1055 -1.2070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 -1.0000 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 -0.0000 -1.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4686 -0.7728 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2632 -0.5439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3981 0.4034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2323 0.1989 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 7 1 0 0 0 0 2 4 2 0 0 0 0 2 8 1 0 0 0 0 3 10 1 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 11 1 0 0 0 0 6 20 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 15 2 0 0 0 0 9 13 2 0 0 0 0 9 21 1 0 0 0 0 10 14 2 0 0 0 0 10 22 1 0 0 0 0 11 13 1 0 0 0 0 11 23 2 0 0 0 0 12 14 1 0 0 0 0 12 16 1 0 0 0 0 13 15 1 0 0 0 0 14 17 1 0 0 0 0 15 20 1 0 0 0 0 16 18 1 0 0 0 0 16 20 1 1 0 0 0 17 24 2 0 0 0 0 18 19 1 0 0 0 0 18 26 1 6 0 0 0 19 17 1 6 0 0 0 19 26 1 0 0 0 0 20 25 1 1 0 0 0 M END $$$$

External Identifiers

PubChem CID	9884761
ChEMBL	CHEMBL3338989
ZINC

Physicochemical Properties

Molecular Weight:	350.08
ALogP:	-2.2989
MLogP:	3
XLogP:	-0.049
# Rotatable Bonds:	3
Polar Surface Area:	107.36
# H-Bond Aceptor:	4
# H-Bond Donor:	3
# Rings:	6
# Heavy Atoms:	26

Download Data

Data Type	Select
General Info & Identifiers & Properties
Structure MOL file
Source Organisms
Biological Activities
Similar NPs/Drugs