Natural Product: NPC185991

Natural Product ID:  NPC185991
Common Name:   Adenosine Phosphate
IUPAC Name:   [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
Synonyms:   A-5MP; Adenosine Monophosphate; Adenosine Phosphate; Adenyl; My-B-Den; Vitamin B8
Molecular Formula:   C10H14N5O7P
Standard InCHIKey:  UDMBCSSLTHHNCD-KQYNXXCUSA-N
Standard InCHI:  InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
Canonical SMILES:  O[C@@H]1[C@H](O)[C@H](O[C@H]1n1cnc2c1ncnc2N)COP(=O)(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
NPO1797 Homo sapiens Species Hominidae Eukaryota saliva DOI[10.1007/s11306-012-0464-y]
NPO1797 Homo sapiens Species Hominidae Eukaryota cerebrospinal fluid PMID[6656991]
NPO1797 Homo sapiens Species Hominidae Eukaryota cytoplasm PMID[15882454]
NPO1797 Homo sapiens Species Hominidae Eukaryota blood PMID[13654353]
NPO1797 Homo sapiens Species Hominidae Eukaryota urine PMID[22932811]
NPO20338 Mus musculus Species Muridae Eukaryota PMID[19425150]
NPO4011 Chlamydomonas reinhardtii Species Chlamydomonadaceae Eukaryota PMID[25515814]
NPO730 Escherichia coli Species Enterobacteriaceae Bacteria PMID[21988831]
NPO27451 Ophiocordyceps sinensis Species Ophiocordycipitaceae Eukaryota TM-MC*
NPO28626 Isodon rubescens Species Lamiaceae Eukaryota TM-MC*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT609 Individual Protein Human immunodeficiency virus type 1 protease Human immunodeficiency virus 1 Kd = 1.13 nM 12459011
NPT609 Individual Protein Human immunodeficiency virus type 1 protease Human immunodeficiency virus 1 Ki = 0.23 nM 12459011
NPT3541 Protein Family Phosphatidylinositol 4-kinase, PI4K Homo sapiens Inhibition = 31.3 % 2165159
NPT2266 Individual Protein Fructose-1,6-bisphosphatase Homo sapiens IC50 = 800 nM 11140724
NPT4492 Individual Protein P2Y purinoceptor 1 Meleagris gallopavo EC50 = 3500 nM 11754592
NPT3825 Individual Protein Purinergic receptor P2Y1 Homo sapiens EC50 = 7200 nM 11754592
NPT3826 Individual Protein Purinergic receptor P2Y2 Homo sapiens EC50 = 3700 nM 11754592
NPT4492 Individual Protein P2Y purinoceptor 1 Meleagris gallopavo EC50 = 2800 nM 11754592
NPT3825 Individual Protein Purinergic receptor P2Y1 Homo sapiens EC50 = 1500 nM 11754592
NPT3826 Individual Protein Purinergic receptor P2Y2 Homo sapiens EC50 = 85 nM 11754592
NPT3829 Individual Protein Purinergic receptor P2Y11 Homo sapiens EC50 = 17250 nM 11754592
NPT2 Others Unspecified Activity = 100 % 11985476
NPT4219 Individual Protein Choline acetylase Homo sapiens IC50 = 1.80E+12 nM 7310833
NPT334 Organism Vaccinia virus Vaccinia virus MIC50 = 2 ug/ml 4045916
NPT190 Organism Human herpesvirus 1 Human herpesvirus 1 MIC50 = 7 ug/ml 4045916
NPT1141 Organism Human herpesvirus 2 Human herpesvirus 2 MIC50 = 7 ug/ml 4045916
NPT195 Organism Vesicular stomatitis virus Vesicular stomatitis virus MIC50 = 2 ug/ml 4045916
NPT419 Organism Oryctolagus cuniculus Oryctolagus cuniculus MIC50 = 20 ug/ml 4045916
NPT2602 Organism Mammalian orthoreovirus 1 Mammalian orthoreovirus 1 MIC50 >= 10 ug/ml 4045916
NPT4758 Organism Human parainfluenza virus 1 Human parainfluenza virus 1 MIC50 = 2 ug/ml 4045916
NPT335 Organism Human coxsackievirus B4 Human coxsackievirus B4 MIC50 >= 10 ug/ml 4045916
NPT338 Organism Sindbis virus Sindbis virus MIC50 > 10 ug/ml 4045916
NPT856 Organism Semliki forest virus Semliki forest virus MIC50 >= 10 ug/ml 4045916
NPT1049 Organism Measles virus Measles virus MIC50 >= 10 ug/ml 4045916
NPT189 Cell Line Vero Chlorocebus aethiops MIC50 = 10 ug/ml 4045916
NPT195 Organism Vesicular stomatitis virus Vesicular stomatitis virus MIC50 = 7 ug/ml 4045916
NPT335 Organism Human coxsackievirus B4 Human coxsackievirus B4 MIC50 > 10 ug/ml 4045916
NPT1106 Organism Human poliovirus 1 Human poliovirus 1 MIC50 > 10 ug/ml 4045916
NPT165 Cell Line HeLa Homo sapiens MIC50 = 20 ug/ml 4045916
NPT137 Cell Line L1210 Mus musculus MIC50 = 3.1 ug/ml 4045916
NPT334 Organism Vaccinia virus Vaccinia virus MIC50 > 400 ug/ml 4045916
NPT190 Organism Human herpesvirus 1 Human herpesvirus 1 MIC50 = 200 ug/ml 4045916
NPT1141 Organism Human herpesvirus 2 Human herpesvirus 2 MIC50 >= 400 ug/ml 4045916
NPT195 Organism Vesicular stomatitis virus Vesicular stomatitis virus MIC50 > 400 ug/ml 4045916
NPT419 Organism Oryctolagus cuniculus Oryctolagus cuniculus MIC50 > 400 ug/ml 4045916
NPT2602 Organism Mammalian orthoreovirus 1 Mammalian orthoreovirus 1 MIC50 > 200 ug/ml 4045916
NPT4758 Organism Human parainfluenza virus 1 Human parainfluenza virus 1 MIC50 > 200 ug/ml 4045916
NPT335 Organism Human coxsackievirus B4 Human coxsackievirus B4 MIC50 > 200 ug/ml 4045916
NPT338 Organism Sindbis virus Sindbis virus MIC50 > 200 ug/ml 4045916
NPT856 Organism Semliki forest virus Semliki forest virus MIC50 > 200 ug/ml 4045916
NPT1049 Organism Measles virus Measles virus MIC50 > 200 ug/ml 4045916
NPT189 Cell Line Vero Chlorocebus aethiops MIC50 > 400 ug/ml 4045916
NPT335 Organism Human coxsackievirus B4 Human coxsackievirus B4 MIC50 > 400 ug/ml 4045916
NPT1106 Organism Human poliovirus 1 Human poliovirus 1 MIC50 > 400 ug/ml 4045916
NPT165 Cell Line HeLa Homo sapiens MIC50 > 400 ug/ml 4045916
NPT137 Cell Line L1210 Mus musculus MIC50 > 100 ug/ml 4045916
NPT4759 Individual Protein Adenylate kinase 2 Rattus norvegicus Ki = 80000 nM 6292418
NPT4760 Individual Protein Adenylate kinase 1 Rattus norvegicus Ki = 580000 nM 6292418
NPT5046 Individual Protein Inosine-5'-monophosphate dehydrogenase Escherichia coli K-12 Ki = 450000 nM 6120232
NPT1347 Protein Family Alcohol dehydrogenase Equus caballus Ki = 38000 nM 7021832
NPT3582 Individual Protein Ketopantoate reductase Escherichia coli K-12 Kd > 5000000 nM 16884311
NPT3582 Individual Protein Ketopantoate reductase Escherichia coli K-12 Ki = 6300000 nM 16884311
NPT36 Individual Protein Tyrosine-protein kinase SRC Homo sapiens IC50 = 100 nM 1479375
NPT2 Others Unspecified IC50 = 300 nM 1479375
NPT2266 Individual Protein Fructose-1,6-bisphosphatase Homo sapiens IC50 = 1000 nM 19348494
NPT3967 Individual Protein Fructose-1,6-bisphosphatase Sus scrofa IC50 = 1300 nM 19419876
NPT2 Others Unspecified Kd = 5400 nM 19678707
NPT2 Others Unspecified Kd = 21000 nM 19678707
NPT2 Others Unspecified Kd = 31000 nM 19678707
NPT2 Others Unspecified Ratio = 5 19678707
NPT2266 Individual Protein Fructose-1,6-bisphosphatase Homo sapiens IC50 = 440 nM 19969452
NPT2266 Individual Protein Fructose-1,6-bisphosphatase Homo sapiens IC50 = 140 nM 19969452
NPT3967 Individual Protein Fructose-1,6-bisphosphatase Sus scrofa IC50 = 1300 nM 20116906
NPT2266 Individual Protein Fructose-1,6-bisphosphatase Homo sapiens IC50 = 9800 nM 20116906
NPT2 Others Unspecified AC50 = 56000 nM 20154666
NPT93 Individual Protein Survival motor neuron protein Homo sapiens Potency = 31622.8 nM PubChem BioAssay data set
NPT2628 Individual Protein Luciferase Photuris pennsylvanica Potency = 1995.3 nM PubChem BioAssay data set
NPT2 Others Unspecified EC50 = 1400 nM 24900234
NPT2 Others Unspecified IC50 = 1000 nM 24900234
NPT2 Others Unspecified EC50 = 5900 nM 24900234
NPT62 Individual Protein 6-phospho-1-fructokinase Trypanosoma brucei Potency 31622.8 nM PubChem BioAssay data set
NPT5 Individual Protein Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 Homo sapiens Potency 223.9 nM PubChem BioAssay data set
NPT6 Organism Plasmodium falciparum Plasmodium falciparum Potency 15101.4 nM PubChem BioAssay data set
NPT698 Individual Protein Regulator of G-protein signaling 4 Homo sapiens Potency 1888.8 nM PubChem BioAssay data set
NPT644 Individual Protein L-lactate dehydrogenase A chain Homo sapiens Kd = 650000 nM 22417091
NPT644 Individual Protein L-lactate dehydrogenase A chain Homo sapiens IC50 > 500000 nM 22417091
NPT2 Others Unspecified IC50 = 12300 nM 22960695
NPT216 Individual Protein Adenosine A1 receptor Homo sapiens EC50 = 500 nM 22738238
NPT2 Others Unspecified Potency 29092.9 nM PubChem BioAssay data set
NPT73 Individual Protein Solute carrier organic anion transporter family member 1B1 Homo sapiens Inhibition = 91.52 % 23571415
NPT72 Individual Protein Solute carrier organic anion transporter family member 1B3 Homo sapiens Inhibition = 90.72 % 23571415
NPT4506 Individual Protein Transient receptor potential cation channel subfamily M member 2 Homo sapiens IC50 = 70000 nM 24304219
NPT2266 Individual Protein Fructose-1,6-bisphosphatase Homo sapiens IC50 = 3200 nM 24530031
NPT2 Others Unspecified Potency 10590.1 nM PubChem BioAssay data set
NPT153 Individual Protein Androgen Receptor Homo sapiens Potency 11883.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 10682.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 11882.3 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 84.1 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 13332.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 11883.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 21313.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 1883.4 nM PubChem BioAssay data set
NPT2266 Individual Protein Fructose-1,6-bisphosphatase Homo sapiens IC50 = 1000 nM 10.1039/C0MD00269K
NPT2 Others Unspecified FC = 0.12 671448
NPT2 Others Unspecified Activity = 100 % 966249
NPT2 Others Unspecified IC50 = 1300 nM 24946215
NPT5047 Individual Protein 2'-deoxynucleoside 5'-phosphate N-hydrolase 1 Homo sapiens Ki = 19200 nM 25108359
NPT5048 Individual Protein 2'-deoxynucleoside 5'-phosphate N-hydrolase 1 Rattus norvegicus Ki = 40000 nM 25108359
NPT2266 Individual Protein Fructose-1,6-bisphosphatase Homo sapiens IC50 = 3200 nM 25461330
NPT2 Others Unspecified Potency 18995.9 nM PubChem BioAssay data set
NPT74 Individual Protein Proto-oncogene c-JUN Homo sapiens Potency 23914.5 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 7562.4 nM PubChem BioAssay data set
NPT2 Others Unspecified AC50 12589.3 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 23914.5 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 7497.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 298.5 nM PubChem BioAssay data set
NPT2 Others Unspecified AC50 10000 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 NPC185991 and all remaining natural products in the NPASS database.
●  The right table: Most similar natural products (Tc>=0.56 or Top200).

Similarity Score Similarity Level Natural Product ID
1.0 High Similarity NPC211025
1.0 High Similarity NPC85689
0.9928 High Similarity NPC321814
0.9857 High Similarity NPC302778
0.9857 High Similarity NPC130586
0.9857 High Similarity NPC164952
0.9857 High Similarity NPC212551
0.9787 High Similarity NPC174802
0.9783 High Similarity NPC121222
0.9718 High Similarity NPC224076
0.965 High Similarity NPC316618
0.965 High Similarity NPC226245
0.9574 High Similarity NPC161224
0.9565 High Similarity NPC156461
0.9565 High Similarity NPC21448
0.9565 High Similarity NPC107374
0.9496 High Similarity NPC189068
0.9496 High Similarity NPC164665
0.9429 High Similarity NPC309832
0.9429 High Similarity NPC219313
0.9429 High Similarity NPC269827
0.942 High Similarity NPC229974
0.9324 High Similarity NPC323091
0.9275 High Similarity NPC209525
0.9275 High Similarity NPC161659
0.9143 High Similarity NPC314152
0.9137 High Similarity NPC317821
0.9103 High Similarity NPC472816
0.8947 High Similarity NPC261595
0.8889 High Similarity NPC324033
0.8889 High Similarity NPC321458
0.8859 High Similarity NPC239737
0.8846 High Similarity NPC326529
0.8844 High Similarity NPC207633
0.8794 High Similarity NPC129756
0.879 High Similarity NPC324198
0.879 High Similarity NPC189261
0.879 High Similarity NPC319100
0.871 High Similarity NPC326082
0.8707 High Similarity NPC150853
0.8639 High Similarity NPC136349
0.8609 High Similarity NPC313754
0.8609 High Similarity NPC311197
0.8609 High Similarity NPC54320
0.8543 High Similarity NPC52238
0.8467 Intermediate Similarity NPC328479
0.8462 Intermediate Similarity NPC30326
0.8462 Intermediate Similarity NPC33996
0.8451 Intermediate Similarity NPC320818
0.8367 Intermediate Similarity NPC274384
0.8367 Intermediate Similarity NPC89147
0.8299 Intermediate Similarity NPC211820
0.8299 Intermediate Similarity NPC251233
0.8288 Intermediate Similarity NPC186619
0.8243 Intermediate Similarity NPC177169
0.8194 Intermediate Similarity NPC195140
0.8188 Intermediate Similarity NPC232408
0.8188 Intermediate Similarity NPC64705
0.8176 Intermediate Similarity NPC318590
0.8129 Intermediate Similarity NPC93365
0.8121 Intermediate Similarity NPC317746
0.8092 Intermediate Similarity NPC326694
0.805 Intermediate Similarity NPC324484
0.8012 Intermediate Similarity NPC290959
0.8 Intermediate Similarity NPC325906
0.7945 Intermediate Similarity NPC61198
0.7877 Intermediate Similarity NPC262926
0.7756 Intermediate Similarity NPC321052
0.7711 Intermediate Similarity NPC313897
0.7702 Intermediate Similarity NPC14590
0.7687 Intermediate Similarity NPC319221
0.7619 Intermediate Similarity NPC324009
0.75 Intermediate Similarity NPC24589
0.7471 Intermediate Similarity NPC282458
0.7471 Intermediate Similarity NPC78941
0.7403 Intermediate Similarity NPC315642
0.7403 Intermediate Similarity NPC74306
0.7273 Intermediate Similarity NPC313514
0.7246 Intermediate Similarity NPC33382
0.7202 Intermediate Similarity NPC168702
0.7202 Intermediate Similarity NPC125659
0.7118 Intermediate Similarity NPC222174
0.7006 Intermediate Similarity NPC321393
0.6989 Remote Similarity NPC276373
0.6952 Remote Similarity NPC5802
0.6918 Remote Similarity NPC327579
0.6915 Remote Similarity NPC157821
0.6866 Remote Similarity NPC107160
0.6765 Remote Similarity NPC21461
0.6714 Remote Similarity NPC476564
0.671 Remote Similarity NPC57279
0.6688 Remote Similarity NPC246193
0.6688 Remote Similarity NPC104011
0.6667 Remote Similarity NPC158055
0.6619 Remote Similarity NPC174114
0.6619 Remote Similarity NPC87981
0.66 Remote Similarity NPC250178
0.6579 Remote Similarity NPC248007
0.6483 Remote Similarity NPC312187
0.6483 Remote Similarity NPC4837
0.6392 Remote Similarity NPC103388
0.6382 Remote Similarity NPC139776
0.6369 Remote Similarity NPC287876
0.6306 Remote Similarity NPC14330
0.6286 Remote Similarity NPC160666
0.625 Remote Similarity NPC18335
0.6221 Remote Similarity NPC472834
0.609 Remote Similarity NPC109322
0.6013 Remote Similarity NPC68938
0.5946 Remote Similarity NPC164845
0.5924 Remote Similarity NPC5707
0.5921 Remote Similarity NPC313547
0.5917 Remote Similarity NPC217656
0.5882 Remote Similarity NPC89139
0.5868 Remote Similarity NPC296437
0.5849 Remote Similarity NPC180493
0.5833 Remote Similarity NPC470266
0.5806 Remote Similarity NPC189314
0.5782 Remote Similarity NPC476561
0.578 Remote Similarity NPC244700
0.5765 Remote Similarity NPC476528
0.5765 Remote Similarity NPC476433
0.5731 Remote Similarity NPC474986
0.5731 Remote Similarity NPC476520
0.5731 Remote Similarity NPC476013
0.5731 Remote Similarity NPC476522
0.573 Remote Similarity NPC472833
0.5729 Remote Similarity NPC265111
0.5723 Remote Similarity NPC476408
0.5698 Remote Similarity NPC476521
0.5684 Remote Similarity NPC473585
0.5667 Remote Similarity NPC119133
0.5635 Remote Similarity NPC472832
0.5635 Remote Similarity NPC18308
0.56 Remote Similarity NPC476099

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC185991 and all drugs/candidates.
●  The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

Similarity Score Similarity Level Drug ID Developmental Stage
1.0 High Similarity NPD283 Approved
0.9857 High Similarity NPD242 Approved
0.9857 High Similarity NPD338 Approved
0.9787 High Similarity NPD339 Approved
0.9718 High Similarity NPD169 Phase 2
0.9565 High Similarity NPD249 Approved
0.9565 High Similarity NPD250 Approved
0.9429 High Similarity NPD186 Discovery
0.9429 High Similarity NPD195 Approved
0.9143 High Similarity NPD185 Approved
0.9041 High Similarity NPD3107 Discontinued
0.9041 High Similarity NPD1369 Phase 2
0.9041 High Similarity NPD1750 Clinical (unspecified phase)
0.9014 High Similarity NPD166 Approved
0.9 High Similarity NPD193 Suspended
0.8947 High Similarity NPD247 Clinical (unspecified phase)
0.8859 High Similarity NPD2624 Phase 2
0.8859 High Similarity NPD2646 Discontinued
0.8859 High Similarity NPD1732 Phase 3
0.8824 High Similarity NPD7988 Suspended
0.879 High Similarity NPD4171 Clinical (unspecified phase)
0.8734 High Similarity NPD1412 Clinical (unspecified phase)
0.8639 High Similarity NPD548 Clinical (unspecified phase)
0.8627 High Similarity NPD3083 Approved
0.8625 High Similarity NPD4716 Approved
0.8609 High Similarity NPD218 Approved
0.8609 High Similarity NPD220 Clinical (unspecified phase)
0.8609 High Similarity NPD219 Phase 3
0.8609 High Similarity NPD216 Approved
0.8609 High Similarity NPD217 Approved
0.8571 High Similarity NPD4744 Clinical (unspecified phase)
0.8411 Intermediate Similarity NPD214 Approved
0.8411 Intermediate Similarity NPD213 Clinical (unspecified phase)
0.8408 Intermediate Similarity NPD2647 Phase 3
0.8364 Intermediate Similarity NPD6417 Clinical (unspecified phase)
0.8263 Intermediate Similarity NPD2631 Clinical (unspecified phase)
0.8263 Intermediate Similarity NPD2630 Approved
0.8263 Intermediate Similarity NPD2632 Approved
0.8227 Intermediate Similarity NPD248 Discontinued
0.8156 Intermediate Similarity NPD9633 Phase 3
0.8148 Intermediate Similarity NPD5666 Phase 2
0.8129 Intermediate Similarity NPD546 Clinical (unspecified phase)
0.8121 Intermediate Similarity NPD7158 Phase 1
0.8099 Intermediate Similarity NPD9632 Phase 3
0.8071 Intermediate Similarity NPD9408 Phase 3
0.8 Intermediate Similarity NPD1777 Approved
0.8 Intermediate Similarity NPD1776 Approved
0.7958 Intermediate Similarity NPD870 Clinical (unspecified phase)
0.7945 Intermediate Similarity NPD252 Clinical (unspecified phase)
0.7857 Intermediate Similarity NPD3085 Phase 1
0.7848 Intermediate Similarity NPD4074 Clinical (unspecified phase)
0.7811 Intermediate Similarity NPD1692 Approved
0.7806 Intermediate Similarity NPD3086 Phase 3
0.775 Intermediate Similarity NPD516 Clinical (unspecified phase)
0.7733 Intermediate Similarity NPD549 Approved
0.7719 Intermediate Similarity NPD5682 Phase 3
0.7719 Intermediate Similarity NPD5683 Clinical (unspecified phase)
0.7719 Intermediate Similarity NPD5684 Clinical (unspecified phase)
0.7635 Intermediate Similarity NPD194 Clinical (unspecified phase)
0.7616 Intermediate Similarity NPD3695 Approved
0.7616 Intermediate Similarity NPD3696 Approved
0.7586 Intermediate Similarity NPD4054 Clinical (unspecified phase)
0.7532 Intermediate Similarity NPD536 Clinical (unspecified phase)
0.7403 Intermediate Similarity NPD582 Approved
0.7308 Intermediate Similarity NPD171 Discontinued
0.7296 Intermediate Similarity NPD3708 Phase 2
0.7273 Intermediate Similarity NPD7138 Phase 2
0.725 Intermediate Similarity NPD353 Discontinued
0.7244 Intermediate Similarity NPD4240 Approved
0.7216 Intermediate Similarity NPD1063 Phase 2
0.7099 Intermediate Similarity NPD231 Clinical (unspecified phase)
0.7059 Intermediate Similarity NPD2965 Clinical (unspecified phase)
0.7021 Intermediate Similarity NPD2876 Phase 3
0.7021 Intermediate Similarity NPD2877 Clinical (unspecified phase)
0.6994 Remote Similarity NPD9605 Phase 3
0.6966 Remote Similarity NPD9606 Approved
0.6947 Remote Similarity NPD2824 Phase 2
0.6923 Remote Similarity NPD5080 Phase 2
0.6918 Remote Similarity NPD9607 Approved
0.6875 Remote Similarity NPD1046 Clinical (unspecified phase)
0.6872 Remote Similarity NPD5079 Phase 2
0.6804 Remote Similarity NPD2902 Phase 2
0.6804 Remote Similarity NPD2903 Clinical (unspecified phase)
0.6774 Remote Similarity NPD209 Clinical (unspecified phase)
0.6757 Remote Similarity NPD9409 Discontinued
0.671 Remote Similarity NPD545 Clinical (unspecified phase)
0.6701 Remote Similarity NPD4495 Phase 1
0.6667 Remote Similarity NPD6840 Approved
0.6644 Remote Similarity NPD9374 Approved
0.6628 Remote Similarity NPD527 Clinical (unspecified phase)
0.6626 Remote Similarity NPD1730 Discontinued
0.6621 Remote Similarity NPD9373 Approved
0.6603 Remote Similarity NPD547 Clinical (unspecified phase)
0.6579 Remote Similarity NPD9084 Phase 2
0.6577 Remote Similarity NPD307 Approved
0.6538 Remote Similarity NPD282 Approved
0.6519 Remote Similarity NPD1119 Phase 2
0.6446 Remote Similarity NPD775 Approved
0.6398 Remote Similarity NPD2152 Clinical (unspecified phase)
0.638 Remote Similarity NPD1430 Approved
0.638 Remote Similarity NPD2253 Discontinued
0.638 Remote Similarity NPD1431 Approved
0.6369 Remote Similarity NPD8829 Clinical (unspecified phase)
0.6352 Remote Similarity NPD9083 Clinical (unspecified phase)
0.6352 Remote Similarity NPD1058 Discontinued
0.631 Remote Similarity NPD207 Discontinued
0.6309 Remote Similarity NPD9584 Phase 2
0.6289 Remote Similarity NPD4458 Phase 2
0.6289 Remote Similarity NPD4459 Clinical (unspecified phase)
0.6287 Remote Similarity NPD7531 Clinical (unspecified phase)
0.625 Remote Similarity NPD8836 Approved
0.6242 Remote Similarity NPD1128 Approved
0.6242 Remote Similarity NPD1127 Approved
0.6218 Remote Similarity NPD281 Approved
0.6196 Remote Similarity NPD799 Phase 1
0.6196 Remote Similarity NPD1808 Phase 1
0.6135 Remote Similarity NPD6112 Approved
0.6122 Remote Similarity NPD9416 Phase 3
0.6122 Remote Similarity NPD9417 Phase 3
0.6121 Remote Similarity NPD1118 Discontinued
0.6107 Remote Similarity NPD9375 Discontinued
0.609 Remote Similarity NPD798 Discontinued
0.6074 Remote Similarity NPD535 Approved
0.6074 Remote Similarity NPD1120 Approved
0.6074 Remote Similarity NPD1121 Approved
0.6058 Remote Similarity NPD6381 Phase 2
0.6027 Remote Similarity NPD9626 Clinical (unspecified phase)
0.6012 Remote Similarity NPD9484 Clinical (unspecified phase)
0.6011 Remote Similarity NPD2593 Clinical (unspecified phase)
0.601 Remote Similarity NPD5486 Discontinued
0.598 Remote Similarity NPD4713 Clinical (unspecified phase)
0.598 Remote Similarity NPD34 Approved
0.598 Remote Similarity NPD4715 Clinical (unspecified phase)
0.598 Remote Similarity NPD4714 Approved
0.5975 Remote Similarity NPD515 Phase 1
0.5972 Remote Similarity NPD7502 Clinical (unspecified phase)
0.5952 Remote Similarity NPD1117 Clinical (unspecified phase)
0.5946 Remote Similarity NPD1816 Clinical (unspecified phase)
0.5934 Remote Similarity NPD9582 Phase 3
0.5924 Remote Similarity NPD8830 Phase 3
0.592 Remote Similarity NPD5458 Discontinued
0.5919 Remote Similarity NPD8250 Phase 2
0.5918 Remote Similarity NPD691 Discontinued
0.5891 Remote Similarity NPD2452 Phase 2
0.5891 Remote Similarity NPD2450 Phase 2
0.5891 Remote Similarity NPD2453 Phase 2
0.5891 Remote Similarity NPD2451 Phase 2
0.5882 Remote Similarity NPD9406 Approved
0.5862 Remote Similarity NPD7842 Phase 2
0.5849 Remote Similarity NPD9544 Approved
0.5849 Remote Similarity NPD78 Approved
0.5813 Remote Similarity NPD796 Phase 2
0.5806 Remote Similarity NPD8833 Approved
0.5806 Remote Similarity NPD8831 Approved
0.5802 Remote Similarity NPD6036 Suspended
0.5779 Remote Similarity NPD757 Phase 3
0.5769 Remote Similarity NPD9360 Approved
0.5735 Remote Similarity NPD534 Phase 2
0.5735 Remote Similarity NPD537 Phase 2
0.5734 Remote Similarity NPD5627 Approved
0.5705 Remote Similarity NPD1368 Approved
0.57 Remote Similarity NPD5665 Clinical (unspecified phase)
0.5679 Remote Similarity NPD1775 Approved
0.5679 Remote Similarity NPD1085 Approved
0.5676 Remote Similarity NPD3849 Clinical (unspecified phase)
0.5669 Remote Similarity NPD237 Clinical (unspecified phase)
0.5667 Remote Similarity NPD9291 Approved
0.566 Remote Similarity NPD2221 Clinical (unspecified phase)
0.566 Remote Similarity NPD4555 Clinical (unspecified phase)
0.5659 Remote Similarity NPD5768 Phase 2
0.5642 Remote Similarity NPD1017 Clinical (unspecified phase)
0.564 Remote Similarity NPD9704 Approved
0.5619 Remote Similarity NPD3913 Clinical (unspecified phase)
0.5614 Remote Similarity NPD6351 Discovery

Structure

External Identifiers

PubChem CID   6083
ChEMBL   CHEMBL752
ZINC  

Physicochemical Properties

Molecular Weight:  347.06
ALogP:  -2.2149
MLogP:  1.13
XLogP:  -3.467
# Rotatable Bonds:  9
Polar Surface Area:  195.88
# H-Bond Aceptor:  12
# H-Bond Donor:  5
# Rings:  3
# Heavy Atoms:  23

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