NPASS Natural Product

Natural Product: NPC471907

Natural Product ID:	NPC471907
Common Name:	4,5,6,7-Tetrahydroxy-9,10-Dioxoanthracene-2-Carboxylic Acid
IUPAC Name:	4,5,6,7-tetrahydroxy-9,10-dioxoanthracene-2-carboxylic acid
Synonyms:
Molecular Formula:	C15H8O8
Standard InCHIKey:	ISMBJFBFEIOUNS-UHFFFAOYSA-N
Standard InCHI:	InChI=1S/C15H8O8/c16-7-2-4(15(22)23)1-5-9(7)13(20)10-6(11(5)18)3-8(17)12(19)14(10)21/h1-3,16-17,19,21H,(H,22,23)
Canonical SMILES:	OC(=O)c1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)c(c(c1)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
NPO472	Penicillium restrictum	Species	Aspergillaceae	Eukaryota				PMID[24911880]

Biological Activity

Activity Type	# Activity
IC50	1

Activity Type	# Activity
Individual Protein	1

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT4782	Individual Protein	Accessory gene regulator protein A	Staphylococcus aureus	IC50	=	120000	nM	17625894

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 NPC471907 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	328
0.1-0.2	1384
0.2-0.3	2748
0.3-0.4	6517
0.4-0.5	6862
0.5-0.6	3285
0.6-0.7	4662
0.7-0.8	4670
0.8-0.85	351
0.85-0.9	76
0.9-0.95	5
0.95-1	1

Similarity Score	Similarity Level	Natural Product ID
0.9504	High Similarity	NPC290550
0.9296	High Similarity	NPC203063
0.9236	High Similarity	NPC238629
0.9021	High Similarity	NPC61398
0.9021	High Similarity	NPC416
0.9014	High Similarity	NPC254847
0.8958	High Similarity	NPC143438
0.8958	High Similarity	NPC190457
0.8951	High Similarity	NPC53414
0.8951	High Similarity	NPC53206
0.8951	High Similarity	NPC471905
0.8944	High Similarity	NPC72918
0.8933	High Similarity	NPC280295
0.8912	High Similarity	NPC244691
0.8904	High Similarity	NPC73061
0.8904	High Similarity	NPC193555
0.8889	High Similarity	NPC4214
0.8881	High Similarity	NPC223836
0.8873	High Similarity	NPC44437
0.8873	High Similarity	NPC288089
0.8861	High Similarity	NPC107009
0.8828	High Similarity	NPC242994
0.8828	High Similarity	NPC138099
0.8819	High Similarity	NPC147418
0.8811	High Similarity	NPC161632
0.8811	High Similarity	NPC258502
0.8803	High Similarity	NPC267205
0.8803	High Similarity	NPC294226
0.8803	High Similarity	NPC48036
0.8776	High Similarity	NPC291078
0.8767	High Similarity	NPC181560
0.8767	High Similarity	NPC183345
0.8767	High Similarity	NPC169452
0.8758	High Similarity	NPC107109
0.875	High Similarity	NPC35
0.8732	High Similarity	NPC135801
0.8707	High Similarity	NPC305845
0.8707	High Similarity	NPC246638
0.8707	High Similarity	NPC204045
0.869	High Similarity	NPC290030
0.8662	High Similarity	NPC469526
0.8662	High Similarity	NPC34070
0.8658	High Similarity	NPC471906
0.8649	High Similarity	NPC135524
0.8645	High Similarity	NPC14561
0.8645	High Similarity	NPC77807
0.8645	High Similarity	NPC5379
0.863	High Similarity	NPC123714
0.8621	High Similarity	NPC118919
0.8621	High Similarity	NPC264112
0.8621	High Similarity	NPC191976
0.8621	High Similarity	NPC194764
0.8621	High Similarity	NPC65005
0.8609	High Similarity	NPC37709
0.8599	High Similarity	NPC84571
0.8592	High Similarity	NPC233056
0.8592	High Similarity	NPC26697
0.8591	High Similarity	NPC66593
0.859	High Similarity	NPC37543
0.859	High Similarity	NPC199463
0.859	High Similarity	NPC263483
0.859	High Similarity	NPC178976
0.858	High Similarity	NPC158226
0.8571	High Similarity	NPC26924
0.8571	High Similarity	NPC472903
0.8571	High Similarity	NPC149889
0.8571	High Similarity	NPC165979
0.8571	High Similarity	NPC312338
0.8571	High Similarity	NPC163130
0.8562	High Similarity	NPC471452
0.8562	High Similarity	NPC48949
0.8553	High Similarity	NPC101769
0.8544	High Similarity	NPC311740
0.8543	High Similarity	NPC314437
0.8533	High Similarity	NPC48762
0.8533	High Similarity	NPC193703
0.8533	High Similarity	NPC257025
0.8533	High Similarity	NPC21599
0.8523	High Similarity	NPC474961
0.8523	High Similarity	NPC314271
0.8514	High Similarity	NPC315578
0.8503	High Similarity	NPC13715
0.8487	Intermediate Similarity	NPC10842
0.8487	Intermediate Similarity	NPC476463
0.8485	Intermediate Similarity	NPC207467
0.8483	Intermediate Similarity	NPC166480
0.8483	Intermediate Similarity	NPC282780
0.8477	Intermediate Similarity	NPC34482
0.8471	Intermediate Similarity	NPC197326
0.8462	Intermediate Similarity	NPC38898
0.8457	Intermediate Similarity	NPC49487
0.8457	Intermediate Similarity	NPC99613
0.8456	Intermediate Similarity	NPC92079
0.8456	Intermediate Similarity	NPC472904
0.8451	Intermediate Similarity	NPC41263
0.8451	Intermediate Similarity	NPC95537
0.8451	Intermediate Similarity	NPC234175
0.8447	Intermediate Similarity	NPC29160
0.8446	Intermediate Similarity	NPC471819
0.8442	Intermediate Similarity	NPC315520
0.8435	Intermediate Similarity	NPC170742
0.8434	Intermediate Similarity	NPC473785
0.8425	Intermediate Similarity	NPC278375
0.8425	Intermediate Similarity	NPC129752
0.8425	Intermediate Similarity	NPC290803
0.8421	Intermediate Similarity	NPC470570
0.8418	Intermediate Similarity	NPC45846
0.8414	Intermediate Similarity	NPC52407
0.8414	Intermediate Similarity	NPC180261
0.8414	Intermediate Similarity	NPC37299
0.8411	Intermediate Similarity	NPC227841
0.8408	Intermediate Similarity	NPC474861
0.8405	Intermediate Similarity	NPC109827
0.8405	Intermediate Similarity	NPC124470
0.8397	Intermediate Similarity	NPC472211
0.8397	Intermediate Similarity	NPC93552
0.8395	Intermediate Similarity	NPC234331
0.8392	Intermediate Similarity	NPC99731
0.8383	Intermediate Similarity	NPC265795
0.838	Intermediate Similarity	NPC214620
0.838	Intermediate Similarity	NPC107672
0.8378	Intermediate Similarity	NPC112135
0.8378	Intermediate Similarity	NPC175552
0.8369	Intermediate Similarity	NPC10926
0.8366	Intermediate Similarity	NPC289042
0.8366	Intermediate Similarity	NPC245584
0.8366	Intermediate Similarity	NPC56433
0.8366	Intermediate Similarity	NPC312929
0.8366	Intermediate Similarity	NPC126767
0.8366	Intermediate Similarity	NPC190648
0.8366	Intermediate Similarity	NPC118027
0.8356	Intermediate Similarity	NPC474519
0.8355	Intermediate Similarity	NPC12402
0.8345	Intermediate Similarity	NPC70622
0.8344	Intermediate Similarity	NPC293545
0.8344	Intermediate Similarity	NPC174905
0.8344	Intermediate Similarity	NPC66029
0.8333	Intermediate Similarity	NPC110810
0.8333	Intermediate Similarity	NPC244441
0.8333	Intermediate Similarity	NPC117609
0.8323	Intermediate Similarity	NPC205766
0.8323	Intermediate Similarity	NPC147735
0.8323	Intermediate Similarity	NPC294646
0.8322	Intermediate Similarity	NPC282923
0.8312	Intermediate Similarity	NPC2569
0.8312	Intermediate Similarity	NPC172329
0.831	Intermediate Similarity	NPC8745
0.8303	Intermediate Similarity	NPC472054
0.8301	Intermediate Similarity	NPC476535
0.8301	Intermediate Similarity	NPC138978
0.8299	Intermediate Similarity	NPC80035
0.8299	Intermediate Similarity	NPC14377
0.8289	Intermediate Similarity	NPC19896
0.8289	Intermediate Similarity	NPC10764
0.8288	Intermediate Similarity	NPC115458
0.828	Intermediate Similarity	NPC208806
0.828	Intermediate Similarity	NPC470408
0.828	Intermediate Similarity	NPC182921
0.828	Intermediate Similarity	NPC218870
0.828	Intermediate Similarity	NPC214632
0.828	Intermediate Similarity	NPC474824
0.8278	Intermediate Similarity	NPC257644
0.8276	Intermediate Similarity	NPC205992
0.8276	Intermediate Similarity	NPC93015
0.8269	Intermediate Similarity	NPC302783
0.8269	Intermediate Similarity	NPC473201
0.8269	Intermediate Similarity	NPC118427
0.8269	Intermediate Similarity	NPC227485
0.8267	Intermediate Similarity	NPC471853
0.8261	Intermediate Similarity	NPC470694
0.8258	Intermediate Similarity	NPC134293
0.8255	Intermediate Similarity	NPC141368
0.8253	Intermediate Similarity	NPC245975
0.825	Intermediate Similarity	NPC119224
0.8247	Intermediate Similarity	NPC119767
0.8247	Intermediate Similarity	NPC290194
0.8243	Intermediate Similarity	NPC272268
0.8243	Intermediate Similarity	NPC158481
0.8243	Intermediate Similarity	NPC315275
0.8242	Intermediate Similarity	NPC473113
0.8239	Intermediate Similarity	NPC103540
0.8239	Intermediate Similarity	NPC35598
0.8239	Intermediate Similarity	NPC222689
0.8239	Intermediate Similarity	NPC201728
0.8239	Intermediate Similarity	NPC262671
0.8231	Intermediate Similarity	NPC293454
0.8228	Intermediate Similarity	NPC318270
0.8228	Intermediate Similarity	NPC472048
0.8224	Intermediate Similarity	NPC295712
0.8224	Intermediate Similarity	NPC451542
0.8224	Intermediate Similarity	NPC474203
0.8224	Intermediate Similarity	NPC471682
0.8224	Intermediate Similarity	NPC313047
0.8217	Intermediate Similarity	NPC164912
0.8212	Intermediate Similarity	NPC187843
0.8207	Intermediate Similarity	NPC147757
0.8207	Intermediate Similarity	NPC31799
0.8207	Intermediate Similarity	NPC136588
0.8207	Intermediate Similarity	NPC31539
0.8207	Intermediate Similarity	NPC199253

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC471907 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	353
0.1-0.2	973
0.2-0.3	1744
0.3-0.4	2863
0.4-0.5	1949
0.5-0.6	896
0.6-0.7	279
0.7-0.8	90
0.8-0.85	12
0.85-0.9	1
0.9-0.95	1
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.9014	High Similarity	NPD1509	Clinical (unspecified phase)
0.8732	High Similarity	NPD943	Approved
0.8493	Intermediate Similarity	NPD651	Clinical (unspecified phase)
0.8491	Intermediate Similarity	NPD6232	Discontinued
0.8447	Intermediate Similarity	NPD7473	Discontinued
0.8411	Intermediate Similarity	NPD7390	Discontinued
0.8239	Intermediate Similarity	NPD1470	Approved
0.8188	Intermediate Similarity	NPD5405	Approved
0.8188	Intermediate Similarity	NPD5408	Approved
0.8188	Intermediate Similarity	NPD5404	Approved
0.8188	Intermediate Similarity	NPD5406	Approved
0.8156	Intermediate Similarity	NPD9269	Phase 2
0.8117	Intermediate Similarity	NPD7422	Clinical (unspecified phase)
0.8025	Intermediate Similarity	NPD3226	Approved
0.7958	Intermediate Similarity	NPD1201	Approved
0.7937	Intermediate Similarity	NPD1465	Phase 2
0.7935	Intermediate Similarity	NPD1511	Approved
0.7872	Intermediate Similarity	NPD9268	Approved
0.784	Intermediate Similarity	NPD4868	Clinical (unspecified phase)
0.7834	Intermediate Similarity	NPD1512	Approved
0.7826	Intermediate Similarity	NPD2393	Clinical (unspecified phase)
0.78	Intermediate Similarity	NPD230	Phase 1
0.7716	Intermediate Similarity	NPD7819	Suspended
0.7658	Intermediate Similarity	NPD2534	Approved
0.7658	Intermediate Similarity	NPD2532	Approved
0.7658	Intermediate Similarity	NPD2533	Approved
0.7654	Intermediate Similarity	NPD1934	Approved
0.7619	Intermediate Similarity	NPD1164	Approved
0.7613	Intermediate Similarity	NPD970	Clinical (unspecified phase)
0.7607	Intermediate Similarity	NPD2801	Approved
0.7593	Intermediate Similarity	NPD7411	Suspended
0.7588	Intermediate Similarity	NPD5844	Phase 1
0.7545	Intermediate Similarity	NPD6959	Discontinued
0.7532	Intermediate Similarity	NPD1510	Phase 2
0.7531	Intermediate Similarity	NPD4380	Phase 2
0.7529	Intermediate Similarity	NPD3818	Discontinued
0.7516	Intermediate Similarity	NPD1607	Approved
0.747	Intermediate Similarity	NPD7075	Discontinued
0.747	Intermediate Similarity	NPD3749	Approved
0.7458	Intermediate Similarity	NPD8397	Clinical (unspecified phase)
0.7455	Intermediate Similarity	NPD3817	Phase 2
0.7436	Intermediate Similarity	NPD2346	Discontinued
0.7413	Intermediate Similarity	NPD405	Clinical (unspecified phase)
0.7412	Intermediate Similarity	NPD6167	Clinical (unspecified phase)
0.7412	Intermediate Similarity	NPD6166	Phase 2
0.7412	Intermediate Similarity	NPD6168	Clinical (unspecified phase)
0.7412	Intermediate Similarity	NPD7852	Clinical (unspecified phase)
0.741	Intermediate Similarity	NPD3882	Suspended
0.7405	Intermediate Similarity	NPD3750	Approved
0.7399	Intermediate Similarity	NPD7993	Clinical (unspecified phase)
0.7386	Intermediate Similarity	NPD1240	Approved
0.7374	Intermediate Similarity	NPD7879	Clinical (unspecified phase)
0.7372	Intermediate Similarity	NPD2935	Discontinued
0.7358	Intermediate Similarity	NPD6190	Approved
0.7349	Intermediate Similarity	NPD8443	Clinical (unspecified phase)
0.7345	Intermediate Similarity	NPD8150	Discontinued
0.7329	Intermediate Similarity	NPD4378	Clinical (unspecified phase)
0.7329	Intermediate Similarity	NPD7410	Clinical (unspecified phase)
0.7321	Intermediate Similarity	NPD6234	Discontinued
0.7314	Intermediate Similarity	NPD4338	Clinical (unspecified phase)
0.7289	Intermediate Similarity	NPD7096	Clinical (unspecified phase)
0.7278	Intermediate Similarity	NPD1549	Phase 2
0.7255	Intermediate Similarity	NPD3764	Approved
0.7241	Intermediate Similarity	NPD7074	Phase 3
0.7229	Intermediate Similarity	NPD37	Approved
0.7229	Intermediate Similarity	NPD6801	Discontinued
0.7215	Intermediate Similarity	NPD1552	Clinical (unspecified phase)
0.7215	Intermediate Similarity	NPD1550	Clinical (unspecified phase)
0.7212	Intermediate Similarity	NPD6599	Discontinued
0.7205	Intermediate Similarity	NPD3300	Phase 2
0.7184	Intermediate Similarity	NPD7054	Approved
0.7176	Intermediate Similarity	NPD5494	Approved
0.716	Intermediate Similarity	NPD4381	Clinical (unspecified phase)
0.7159	Intermediate Similarity	NPD6559	Discontinued
0.7158	Intermediate Similarity	NPD8151	Discontinued
0.7152	Intermediate Similarity	NPD1551	Phase 2
0.7143	Intermediate Similarity	NPD7472	Approved
0.7134	Intermediate Similarity	NPD6980	Clinical (unspecified phase)
0.7125	Intermediate Similarity	NPD7421	Clinical (unspecified phase)
0.7102	Intermediate Similarity	NPD6797	Phase 2
0.7101	Intermediate Similarity	NPD4966	Approved
0.7101	Intermediate Similarity	NPD7768	Phase 2
0.7101	Intermediate Similarity	NPD4965	Approved
0.7101	Intermediate Similarity	NPD4967	Phase 2
0.7093	Intermediate Similarity	NPD5711	Approved
0.7093	Intermediate Similarity	NPD5710	Approved
0.7089	Intermediate Similarity	NPD3748	Approved
0.7081	Intermediate Similarity	NPD8166	Discontinued
0.7079	Intermediate Similarity	NPD8312	Approved
0.7079	Intermediate Similarity	NPD8313	Approved
0.7062	Intermediate Similarity	NPD7251	Discontinued
0.7055	Intermediate Similarity	NPD6799	Approved
0.7041	Intermediate Similarity	NPD5402	Approved
0.7035	Intermediate Similarity	NPD1247	Approved
0.7032	Intermediate Similarity	NPD2313	Discontinued
0.7029	Intermediate Similarity	NPD7228	Approved
0.7019	Intermediate Similarity	NPD1243	Approved
0.7019	Intermediate Similarity	NPD2800	Approved
0.7018	Intermediate Similarity	NPD919	Approved
0.7011	Intermediate Similarity	NPD6535	Approved
0.7011	Intermediate Similarity	NPD6534	Approved
0.7006	Intermediate Similarity	NPD447	Suspended
0.7005	Intermediate Similarity	NPD7501	Clinical (unspecified phase)
0.7	Intermediate Similarity	NPD8055	Clinical (unspecified phase)
0.6984	Remote Similarity	NPD7435	Discontinued
0.6981	Remote Similarity	NPD3299	Clinical (unspecified phase)
0.6981	Remote Similarity	NPD2799	Discontinued
0.6975	Remote Similarity	NPD1878	Clinical (unspecified phase)
0.6972	Remote Similarity	NPD74	Approved
0.6972	Remote Similarity	NPD9266	Approved
0.6947	Remote Similarity	NPD8320	Phase 1
0.6947	Remote Similarity	NPD8319	Approved
0.6928	Remote Similarity	NPD920	Approved
0.6927	Remote Similarity	NPD7808	Phase 3
0.6915	Remote Similarity	NPD6776	Approved
0.6915	Remote Similarity	NPD6780	Approved
0.6915	Remote Similarity	NPD6777	Approved
0.6915	Remote Similarity	NPD6781	Approved
0.6915	Remote Similarity	NPD6779	Approved
0.6915	Remote Similarity	NPD6778	Approved
0.6915	Remote Similarity	NPD6782	Approved
0.691	Remote Similarity	NPD5953	Discontinued
0.6909	Remote Similarity	NPD642	Clinical (unspecified phase)
0.6901	Remote Similarity	NPD9265	Clinical (unspecified phase)
0.6901	Remote Similarity	NPD9267	Approved
0.6901	Remote Similarity	NPD9264	Approved
0.6901	Remote Similarity	NPD9263	Approved
0.6898	Remote Similarity	NPD7699	Phase 2
0.6898	Remote Similarity	NPD7700	Phase 2
0.6893	Remote Similarity	NPD7804	Clinical (unspecified phase)
0.6871	Remote Similarity	NPD7003	Approved
0.6871	Remote Similarity	NPD6398	Clinical (unspecified phase)
0.6857	Remote Similarity	NPD3926	Phase 2
0.6845	Remote Similarity	NPD5808	Clinical (unspecified phase)
0.6845	Remote Similarity	NPD7458	Discontinued
0.6839	Remote Similarity	NPD7199	Phase 2
0.6839	Remote Similarity	NPD1530	Clinical (unspecified phase)
0.6836	Remote Similarity	NPD3751	Discontinued
0.6832	Remote Similarity	NPD2796	Approved
0.6826	Remote Similarity	NPD5403	Approved
0.6824	Remote Similarity	NPD9493	Approved
0.6818	Remote Similarity	NPD1203	Approved
0.6807	Remote Similarity	NPD5401	Approved
0.6803	Remote Similarity	NPD5951	Approved
0.68	Remote Similarity	NPD4196	Clinical (unspecified phase)
0.6798	Remote Similarity	NPD6020	Phase 2
0.6795	Remote Similarity	NPD1529	Clinical (unspecified phase)
0.679	Remote Similarity	NPD2344	Approved
0.679	Remote Similarity	NPD1471	Phase 3
0.6788	Remote Similarity	NPD6973	Clinical (unspecified phase)
0.6788	Remote Similarity	NPD643	Clinical (unspecified phase)
0.6776	Remote Similarity	NPD8434	Phase 2
0.6774	Remote Similarity	NPD6212	Phase 3
0.6774	Remote Similarity	NPD6213	Phase 3
0.6774	Remote Similarity	NPD6214	Clinical (unspecified phase)
0.6769	Remote Similarity	NPD7875	Clinical (unspecified phase)
0.6769	Remote Similarity	NPD7874	Approved
0.6768	Remote Similarity	NPD4628	Phase 3
0.6761	Remote Similarity	NPD7184	Clinical (unspecified phase)
0.6755	Remote Similarity	NPD3019	Approved
0.6753	Remote Similarity	NPD1283	Approved
0.675	Remote Similarity	NPD6651	Approved
0.6728	Remote Similarity	NPD6100	Approved
0.6728	Remote Similarity	NPD6099	Approved
0.6719	Remote Similarity	NPD7696	Phase 3
0.6719	Remote Similarity	NPD7698	Approved
0.6719	Remote Similarity	NPD7697	Approved
0.6704	Remote Similarity	NPD7286	Phase 2
0.6689	Remote Similarity	NPD9281	Approved
0.6684	Remote Similarity	NPD7871	Phase 2
0.6684	Remote Similarity	NPD7870	Phase 2
0.6667	Remote Similarity	NPD7701	Phase 2
0.6647	Remote Similarity	NPD6143	Clinical (unspecified phase)
0.6647	Remote Similarity	NPD8438	Clinical (unspecified phase)
0.6645	Remote Similarity	NPD2932	Approved
0.6627	Remote Similarity	NPD2309	Approved
0.6625	Remote Similarity	NPD1612	Clinical (unspecified phase)
0.6625	Remote Similarity	NPD1613	Approved
0.6624	Remote Similarity	NPD9494	Approved
0.6623	Remote Similarity	NPD9545	Approved
0.662	Remote Similarity	NPD9261	Approved
0.6613	Remote Similarity	NPD4287	Approved
0.6612	Remote Similarity	NPD5035	Approved
0.661	Remote Similarity	NPD7229	Phase 3
0.6604	Remote Similarity	NPD411	Approved
0.6604	Remote Similarity	NPD3268	Approved
0.6593	Remote Similarity	NPD7240	Approved
0.6585	Remote Similarity	NPD7266	Discontinued
0.658	Remote Similarity	NPD6823	Phase 2
0.6575	Remote Similarity	NPD4750	Phase 3
0.6575	Remote Similarity	NPD3021	Approved
0.6575	Remote Similarity	NPD3022	Approved
0.6566	Remote Similarity	NPD7783	Phase 2
0.6566	Remote Similarity	NPD7801	Approved
0.6566	Remote Similarity	NPD7782	Clinical (unspecified phase)
0.6566	Remote Similarity	NPD3400	Discontinued
0.6564	Remote Similarity	NPD4308	Phase 3
0.6564	Remote Similarity	NPD7211	Clinical (unspecified phase)
0.6561	Remote Similarity	NPD2798	Approved
0.6558	Remote Similarity	NPD1281	Approved

Structure

NPC471907 OpenBabel07101718302D 23 25 0 0 0 0 0 0 0 0999 V2000 3.4641 2.0000 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 -0.0000 2.0000 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 2.5981 1.5000 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 3.4641 0.0000 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 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 1.7321 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 1.7321 0.0000 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 3.4641 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 3.0000 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 1.7321 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.0000 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 1 4 2 0 0 0 0 1 5 1 0 0 0 0 2 4 1 0 0 0 0 2 7 2 0 0 0 0 3 6 2 0 0 0 0 3 8 1 0 0 0 0 4 15 1 0 0 0 0 5 9 2 0 0 0 0 5 11 1 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 7 9 1 0 0 0 0 7 16 1 0 0 0 0 8 12 2 0 0 0 0 8 17 1 0 0 0 0 9 13 1 0 0 0 0 10 13 1 0 0 0 0 10 14 2 0 0 0 0 11 18 2 0 0 0 0 12 14 1 0 0 0 0 12 19 1 0 0 0 0 13 20 2 0 0 0 0 14 21 1 0 0 0 0 15 22 2 0 0 0 0 15 23 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	90644761
ChEMBL	CHEMBL3289790
ZINC

Physicochemical Properties

Molecular Weight:	316.02
ALogP:	-2.6086
MLogP:	2.23
XLogP:	-0.527
# Rotatable Bonds:	6
Polar Surface Area:	152.36
# H-Bond Aceptor:	4
# H-Bond Donor:	5
# Rings:	3
# Heavy Atoms:	23

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