Natural Product: NPC229974

Natural Product ID:  NPC229974
Common Name:   Cordycepin
IUPAC Name:   (2R,3R,5S)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolan-3-ol
Synonyms:   3'-Deoxyadenosine; Cordycepin
Molecular Formula:   C10H13N5O3
Standard InCHIKey:  OFEZSBMBBKLLBJ-BAJZRUMYSA-N
Standard InCHI:  InChI=1S/C10H13N5O3/c11-8-7-9(13-3-12-8)15(4-14-7)10-6(17)1-5(2-16)18-10/h3-6,10,16-17H,1-2H2,(H2,11,12,13)/t5-,6+,10+/m0/s1
Canonical SMILES:  OC[C@@H]1C[C@H]([C@@H](O1)n1cnc2c1ncnc2N)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
NPO32693 cordyceps militaris bcc 2816 Species Cordycipitaceae Eukaryota PMID[15568800]
NPO27451 Ophiocordyceps sinensis Species Ophiocordycipitaceae Eukaryota TM-MC*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT189 Cell Line Vero Chlorocebus aethiops IC50 = 0.5 nM 10464017
NPT1758 Individual Protein Hepatitis C virus NS5B RNA-dependent RNA polymerase Hepatitis C virus IC50 = 22000 nM 15084127
NPT1758 Individual Protein Hepatitis C virus NS5B RNA-dependent RNA polymerase Hepatitis C virus EC50 46000 nM 15084127
NPT190 Organism Human herpesvirus 1 Human herpesvirus 1 MIC > 40 ug/ml 1335077
NPT1141 Organism Human herpesvirus 2 Human herpesvirus 2 MIC > 40 ug/ml 1335077
NPT334 Organism Vaccinia virus Vaccinia virus MIC > 100 ug/ml 1335077
NPT195 Organism Vesicular stomatitis virus Vesicular stomatitis virus MIC > 40 ug/ml 1335077
NPT195 Organism Vesicular stomatitis virus Vesicular stomatitis virus MIC > 100 ug/ml 1335077
NPT1106 Organism Human poliovirus 1 Human poliovirus 1 MIC > 100 ug/ml 1335077
NPT335 Organism Human coxsackievirus B4 Human coxsackievirus B4 MIC > 100 ug/ml 1335077
NPT336 Organism Human parainfluenza virus 3 Human parainfluenza virus 3 MIC > 100 ug/ml 1335077
NPT2602 Organism Mammalian orthoreovirus 1 Mammalian orthoreovirus 1 MIC > 100 ug/ml 1335077
NPT338 Organism Sindbis virus Sindbis virus MIC > 100 ug/ml 1335077
NPT856 Organism Semliki forest virus Semliki forest virus MIC > 100 ug/ml 1335077
NPT24 Organism Human immunodeficiency virus 1 Human immunodeficiency virus 1 MIC > 4 ug/ml 1335077
NPT1315 Individual Protein Adenosine A1 receptor Rattus norvegicus Ki = 7120 nM 7562934
NPT1315 Individual Protein Adenosine A1 receptor Rattus norvegicus Ki = 15200 nM 7562934
NPT1315 Individual Protein Adenosine A1 receptor Rattus norvegicus Ki = 7120 nM 9371242
NPT1315 Individual Protein Adenosine A1 receptor Rattus norvegicus Ki = 15200 nM 9371242
NPT1315 Individual Protein Adenosine A1 receptor Rattus norvegicus Ratio = 2.1 9371242
NPT24 Organism Human immunodeficiency virus 1 Human immunodeficiency virus 1 ED50 > 0.05 nM 3172142
NPT25 Cell Line MT4 Homo sapiens CD50 = 0.045 nM 3172142
NPT485 Organism Plasmodium falciparum (isolate K1 / Thailand) Plasmodium falciparum K1 IC50 = 4.5 ug/ml 15568800
NPT2 Others Unspecified EC50 = 4100 nM PubChem BioAssay data set
NPT5055 Individual Protein Mitochondrial import inner membrane translocase subunit TIM23 Saccharomyces cerevisiae S288c IC50 = 14000 nM PubChem BioAssay data set
NPT1273 Individual Protein ATP-dependent molecular chaperone HSP82 Candida albicans (strain WO-1) (Yeast) EC50 > 150000 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 4466.8 nM PubChem BioAssay data set
NPT2 Others Unspecified EC50 > 150000 nM PubChem BioAssay data set
NPT1019 Organism Trichomonas vaginalis Trichomonas vaginalis GI = 94.1 % 22579483
NPT2 Others Unspecified Potency 44668.4 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 10000 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 7307.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 8199.5 nM PubChem BioAssay data set
NPT2 Others Unspecified Ki = 180 nM 24283924
NPT112 Cell Line MOLT-4 Homo sapiens IC50 >= 100000 nM 24283924
NPT1018 Organism Trypanosoma brucei Trypanosoma brucei IC50 = 42 nM 24283924
NPT1018 Organism Trypanosoma brucei Trypanosoma brucei IC50 = 32 nM 24283924
NPT1460 Cell Line L929 Mus musculus IC50 = 28700 nM 24283924
NPT1018 Organism Trypanosoma brucei Trypanosoma brucei IC50 = 1.2 nM 24283924
NPT112 Cell Line MOLT-4 Homo sapiens IC50 = 100 nM 24283924
NPT471 Organism Trypanosoma brucei brucei Trypanosoma brucei brucei IC50 = 30 nM 24283924
NPT191 Organism Hepatitis C virus Hepatitis C virus EC50 = 70000 nM 25282652
NPT2 Others Unspecified CC50 = 13000 nM 25282652
NPT2 Others Unspecified Ratio CC50/EC50 = 0.19 25282652
NPT633 Organism Leishmania donovani Leishmania donovani IC50 > 50118.72 nM 10.6019/CHEMBL3430912
NPT580 Organism Trypanosoma cruzi Trypanosoma cruzi IC50 = 5011.87 nM 10.6019/CHEMBL3430912
NPT471 Organism Trypanosoma brucei brucei Trypanosoma brucei brucei IC50 = 12.59 nM 10.6019/CHEMBL3430912
NPT471 Organism Trypanosoma brucei brucei Trypanosoma brucei brucei IC50 = 10 nM 10.6019/CHEMBL3430912
NPT65 Cell Line HepG2 Homo sapiens IC50 > 100000 nM 10.6019/CHEMBL3430912
NPT580 Organism Trypanosoma cruzi Trypanosoma cruzi IC50 = 1122.02 nM 10.6019/CHEMBL3430912
NPT886 Cell Line NIH3T3 Mus musculus IC50 > 50118.72 nM 10.6019/CHEMBL3430912
NPT580 Organism Trypanosoma cruzi Trypanosoma cruzi IC50 = 1995.26 nM 10.6019/CHEMBL3430912
NPT2 Others Unspecified IC50 > 100000 nM 10.6019/CHEMBL3430912
NPT580 Organism Trypanosoma cruzi Trypanosoma cruzi IC50 = 1258.93 nM 10.6019/CHEMBL3430912

  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 NPC229974 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
0.9848 High Similarity NPC156461
0.9848 High Similarity NPC21448
0.9848 High Similarity NPC107374
0.9774 High Similarity NPC164665
0.9774 High Similarity NPC189068
0.9701 High Similarity NPC219313
0.9701 High Similarity NPC309832
0.9701 High Similarity NPC269827
0.9695 High Similarity NPC209525
0.9695 High Similarity NPC161659
0.9549 High Similarity NPC314152
0.9545 High Similarity NPC317821
0.942 High Similarity NPC185991
0.942 High Similarity NPC211025
0.942 High Similarity NPC85689
0.9353 High Similarity NPC321814
0.9353 High Similarity NPC472816
0.9323 High Similarity NPC129756
0.9286 High Similarity NPC164952
0.9286 High Similarity NPC212551
0.9286 High Similarity NPC130586
0.9286 High Similarity NPC302778
0.922 High Similarity NPC174802
0.9203 High Similarity NPC121222
0.9155 High Similarity NPC224076
0.9091 High Similarity NPC239737
0.9091 High Similarity NPC226245
0.9091 High Similarity NPC316618
0.9078 High Similarity NPC207633
0.9007 High Similarity NPC161224
0.9 High Similarity NPC136349
0.8936 High Similarity NPC150853
0.8828 High Similarity NPC311197
0.8828 High Similarity NPC54320
0.8828 High Similarity NPC313754
0.8824 High Similarity NPC33996
0.8811 High Similarity NPC328479
0.8784 High Similarity NPC323091
0.8759 High Similarity NPC52238
0.8676 High Similarity NPC320818
0.8514 High Similarity NPC195140
0.8446 Intermediate Similarity NPC93365
0.8421 Intermediate Similarity NPC261595
0.8366 Intermediate Similarity NPC321458
0.8366 Intermediate Similarity NPC324033
0.8333 Intermediate Similarity NPC326529
0.828 Intermediate Similarity NPC324198
0.828 Intermediate Similarity NPC319100
0.828 Intermediate Similarity NPC189261
0.8235 Intermediate Similarity NPC324484
0.8194 Intermediate Similarity NPC290959
0.8194 Intermediate Similarity NPC326082
0.8182 Intermediate Similarity NPC325906
0.8143 Intermediate Similarity NPC61198
0.8071 Intermediate Similarity NPC262926
0.7933 Intermediate Similarity NPC321052
0.7902 Intermediate Similarity NPC30326
0.7875 Intermediate Similarity NPC313897
0.7872 Intermediate Similarity NPC319221
0.7823 Intermediate Similarity NPC89147
0.7823 Intermediate Similarity NPC274384
0.7801 Intermediate Similarity NPC324009
0.7755 Intermediate Similarity NPC251233
0.7755 Intermediate Similarity NPC211820
0.774 Intermediate Similarity NPC186619
0.7703 Intermediate Similarity NPC177169
0.7651 Intermediate Similarity NPC64705
0.7651 Intermediate Similarity NPC24589
0.7651 Intermediate Similarity NPC232408
0.7635 Intermediate Similarity NPC318590
0.7619 Intermediate Similarity NPC78941
0.7619 Intermediate Similarity NPC282458
0.7584 Intermediate Similarity NPC317746
0.7568 Intermediate Similarity NPC74306
0.7568 Intermediate Similarity NPC315642
0.7566 Intermediate Similarity NPC326694
0.7412 Intermediate Similarity NPC313514
0.7391 Intermediate Similarity NPC33382
0.7346 Intermediate Similarity NPC168702
0.7346 Intermediate Similarity NPC125659
0.7256 Intermediate Similarity NPC222174
0.7205 Intermediate Similarity NPC14590
0.7143 Intermediate Similarity NPC321393
0.7121 Intermediate Similarity NPC476564
0.7111 Intermediate Similarity NPC276373
0.7075 Intermediate Similarity NPC57279
0.7072 Intermediate Similarity NPC5802
0.7071 Intermediate Similarity NPC327579
0.7033 Intermediate Similarity NPC157821
0.7023 Intermediate Similarity NPC174114
0.7023 Intermediate Similarity NPC87981
0.6939 Remote Similarity NPC246193
0.6939 Remote Similarity NPC104011
0.6861 Remote Similarity NPC4837
0.6861 Remote Similarity NPC312187
0.6828 Remote Similarity NPC248007
0.6701 Remote Similarity NPC250178
0.6621 Remote Similarity NPC139776
0.6618 Remote Similarity NPC18335
0.66 Remote Similarity NPC287876
0.6533 Remote Similarity NPC14330
0.6524 Remote Similarity NPC472834
0.6489 Remote Similarity NPC103388
0.6468 Remote Similarity NPC107160
0.6419 Remote Similarity NPC109322
0.6373 Remote Similarity NPC160666
0.6373 Remote Similarity NPC21461
0.6345 Remote Similarity NPC68938
0.628 Remote Similarity NPC158055
0.6211 Remote Similarity NPC217656
0.6173 Remote Similarity NPC89139
0.6164 Remote Similarity NPC296437
0.6138 Remote Similarity NPC313547
0.6133 Remote Similarity NPC5707
0.6125 Remote Similarity NPC470266
0.6124 Remote Similarity NPC164845
0.6122 Remote Similarity NPC189314
0.6115 Remote Similarity NPC476561
0.6061 Remote Similarity NPC244700
0.6053 Remote Similarity NPC180493
0.6049 Remote Similarity NPC476433
0.6049 Remote Similarity NPC476528
0.6012 Remote Similarity NPC476522
0.6012 Remote Similarity NPC476013
0.6012 Remote Similarity NPC476520
0.6012 Remote Similarity NPC474986
0.6 Remote Similarity NPC472833
0.6 Remote Similarity NPC476408
0.5978 Remote Similarity NPC265111
0.5976 Remote Similarity NPC476521
0.5934 Remote Similarity NPC473585
0.5915 Remote Similarity NPC476099
0.5896 Remote Similarity NPC472832
0.5896 Remote Similarity NPC18308
0.5874 Remote Similarity NPC119133
0.5871 Remote Similarity NPC180462
0.5804 Remote Similarity NPC476562
0.5745 Remote Similarity NPC293163
0.5743 Remote Similarity NPC256849
0.5734 Remote Similarity NPC59314
0.5714 Remote Similarity NPC47936
0.5671 Remote Similarity NPC210947
0.5667 Remote Similarity NPC63433
0.5655 Remote Similarity NPC327477
0.5644 Remote Similarity NPC470141
0.5638 Remote Similarity NPC41958
0.5638 Remote Similarity NPC303899
0.5625 Remote Similarity NPC10466
0.5617 Remote Similarity NPC126634

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC229974 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
0.9848 High Similarity NPD249 Approved
0.9848 High Similarity NPD250 Approved
0.9701 High Similarity NPD195 Approved
0.9701 High Similarity NPD186 Discovery
0.9549 High Similarity NPD185 Approved
0.9545 High Similarity NPD193 Suspended
0.942 High Similarity NPD283 Approved
0.9407 High Similarity NPD166 Approved
0.9286 High Similarity NPD1750 Clinical (unspecified phase)
0.9286 High Similarity NPD242 Approved
0.9286 High Similarity NPD3107 Discontinued
0.9286 High Similarity NPD338 Approved
0.9286 High Similarity NPD1369 Phase 2
0.922 High Similarity NPD339 Approved
0.9155 High Similarity NPD169 Phase 2
0.9091 High Similarity NPD2646 Discontinued
0.9091 High Similarity NPD2624 Phase 2
0.9091 High Similarity NPD1732 Phase 3
0.9 High Similarity NPD548 Clinical (unspecified phase)
0.8828 High Similarity NPD219 Phase 3
0.8828 High Similarity NPD216 Approved
0.8828 High Similarity NPD217 Approved
0.8828 High Similarity NPD220 Clinical (unspecified phase)
0.8828 High Similarity NPD218 Approved
0.875 High Similarity NPD214 Approved
0.875 High Similarity NPD213 Clinical (unspecified phase)
0.8609 High Similarity NPD2647 Phase 3
0.8582 High Similarity NPD248 Discontinued
0.8446 Intermediate Similarity NPD546 Clinical (unspecified phase)
0.8433 Intermediate Similarity NPD870 Clinical (unspecified phase)
0.8421 Intermediate Similarity NPD247 Clinical (unspecified phase)
0.8333 Intermediate Similarity NPD5666 Phase 2
0.8309 Intermediate Similarity NPD9632 Phase 3
0.8301 Intermediate Similarity NPD7988 Suspended
0.828 Intermediate Similarity NPD4171 Clinical (unspecified phase)
0.8228 Intermediate Similarity NPD1412 Clinical (unspecified phase)
0.8182 Intermediate Similarity NPD1776 Approved
0.8182 Intermediate Similarity NPD1777 Approved
0.8143 Intermediate Similarity NPD252 Clinical (unspecified phase)
0.8125 Intermediate Similarity NPD4716 Approved
0.8105 Intermediate Similarity NPD3083 Approved
0.8075 Intermediate Similarity NPD4744 Clinical (unspecified phase)
0.8039 Intermediate Similarity NPD516 Clinical (unspecified phase)
0.7975 Intermediate Similarity NPD1692 Approved
0.7943 Intermediate Similarity NPD194 Clinical (unspecified phase)
0.7917 Intermediate Similarity NPD549 Approved
0.7879 Intermediate Similarity NPD5682 Phase 3
0.7879 Intermediate Similarity NPD6417 Clinical (unspecified phase)
0.7879 Intermediate Similarity NPD5684 Clinical (unspecified phase)
0.7879 Intermediate Similarity NPD5683 Clinical (unspecified phase)
0.7842 Intermediate Similarity NPD9633 Phase 3
0.7784 Intermediate Similarity NPD2631 Clinical (unspecified phase)
0.7784 Intermediate Similarity NPD2632 Approved
0.7784 Intermediate Similarity NPD2630 Approved
0.7754 Intermediate Similarity NPD9408 Phase 3
0.7703 Intermediate Similarity NPD7158 Phase 1
0.7697 Intermediate Similarity NPD536 Clinical (unspecified phase)
0.7568 Intermediate Similarity NPD582 Approved
0.7566 Intermediate Similarity NPD3708 Phase 2
0.7412 Intermediate Similarity NPD7138 Phase 2
0.7355 Intermediate Similarity NPD231 Clinical (unspecified phase)
0.7342 Intermediate Similarity NPD4074 Clinical (unspecified phase)
0.7338 Intermediate Similarity NPD3085 Phase 1
0.729 Intermediate Similarity NPD3086 Phase 3
0.72 Intermediate Similarity NPD3695 Approved
0.72 Intermediate Similarity NPD3696 Approved
0.7182 Intermediate Similarity NPD2965 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD2876 Phase 3
0.7143 Intermediate Similarity NPD2877 Clinical (unspecified phase)
0.7134 Intermediate Similarity NPD9605 Phase 3
0.7126 Intermediate Similarity NPD4054 Clinical (unspecified phase)
0.7122 Intermediate Similarity NPD9606 Approved
0.7071 Intermediate Similarity NPD9607 Approved
0.7065 Intermediate Similarity NPD2824 Phase 2
0.7027 Intermediate Similarity NPD209 Clinical (unspecified phase)
0.7013 Intermediate Similarity NPD171 Discontinued
0.7 Intermediate Similarity NPD1046 Clinical (unspecified phase)
0.6959 Remote Similarity NPD545 Clinical (unspecified phase)
0.6915 Remote Similarity NPD2903 Clinical (unspecified phase)
0.6915 Remote Similarity NPD2902 Phase 2
0.6906 Remote Similarity NPD9374 Approved
0.6884 Remote Similarity NPD9373 Approved
0.6867 Remote Similarity NPD1119 Phase 2
0.6859 Remote Similarity NPD1730 Discontinued
0.6848 Remote Similarity NPD527 Clinical (unspecified phase)
0.6846 Remote Similarity NPD547 Clinical (unspecified phase)
0.6839 Remote Similarity NPD4240 Approved
0.6831 Remote Similarity NPD307 Approved
0.6828 Remote Similarity NPD9084 Phase 2
0.6809 Remote Similarity NPD4495 Phase 1
0.6761 Remote Similarity NPD1063 Phase 2
0.675 Remote Similarity NPD353 Discontinued
0.6689 Remote Similarity NPD1058 Discontinued
0.6667 Remote Similarity NPD775 Approved
0.6667 Remote Similarity NPD282 Approved
0.6667 Remote Similarity NPD9584 Phase 2
0.6618 Remote Similarity NPD8836 Approved
0.6604 Remote Similarity NPD7531 Clinical (unspecified phase)
0.6603 Remote Similarity NPD2253 Discontinued
0.66 Remote Similarity NPD8829 Clinical (unspecified phase)
0.6592 Remote Similarity NPD207 Discontinued
0.6579 Remote Similarity NPD9083 Clinical (unspecified phase)
0.6554 Remote Similarity NPD281 Approved
0.6516 Remote Similarity NPD799 Phase 1
0.6513 Remote Similarity NPD5080 Phase 2
0.65 Remote Similarity NPD2152 Clinical (unspecified phase)
0.6497 Remote Similarity NPD1430 Approved
0.6497 Remote Similarity NPD1431 Approved
0.6471 Remote Similarity NPD4458 Phase 2
0.6471 Remote Similarity NPD4459 Clinical (unspecified phase)
0.6467 Remote Similarity NPD1128 Approved
0.6467 Remote Similarity NPD1127 Approved
0.6462 Remote Similarity NPD5079 Phase 2
0.6433 Remote Similarity NPD1118 Discontinued
0.6419 Remote Similarity NPD798 Discontinued
0.6346 Remote Similarity NPD6112 Approved
0.6338 Remote Similarity NPD9375 Discontinued
0.6327 Remote Similarity NPD9409 Discontinued
0.6323 Remote Similarity NPD9484 Clinical (unspecified phase)
0.6306 Remote Similarity NPD1808 Phase 1
0.6294 Remote Similarity NPD2593 Clinical (unspecified phase)
0.6286 Remote Similarity NPD1816 Clinical (unspecified phase)
0.6282 Remote Similarity NPD535 Approved
0.628 Remote Similarity NPD6840 Approved
0.6259 Remote Similarity NPD9626 Clinical (unspecified phase)
0.625 Remote Similarity NPD1117 Clinical (unspecified phase)
0.6241 Remote Similarity NPD9416 Phase 3
0.6241 Remote Similarity NPD9417 Phase 3
0.6184 Remote Similarity NPD515 Phase 1
0.6178 Remote Similarity NPD5486 Discontinued
0.6178 Remote Similarity NPD1120 Approved
0.6178 Remote Similarity NPD1121 Approved
0.6133 Remote Similarity NPD8830 Phase 3
0.6124 Remote Similarity NPD7502 Clinical (unspecified phase)
0.6122 Remote Similarity NPD8831 Approved
0.6122 Remote Similarity NPD8833 Approved
0.6096 Remote Similarity NPD757 Phase 3
0.6082 Remote Similarity NPD5458 Discontinued
0.6053 Remote Similarity NPD9544 Approved
0.6053 Remote Similarity NPD78 Approved
0.6 Remote Similarity NPD691 Discontinued
0.5991 Remote Similarity NPD8250 Phase 2
0.5986 Remote Similarity NPD9406 Approved
0.5974 Remote Similarity NPD1775 Approved
0.5974 Remote Similarity NPD1085 Approved
0.5973 Remote Similarity NPD9360 Approved
0.5969 Remote Similarity NPD796 Phase 2
0.596 Remote Similarity NPD2221 Clinical (unspecified phase)
0.5952 Remote Similarity NPD7842 Phase 2
0.5915 Remote Similarity NPD9704 Approved
0.5906 Remote Similarity NPD1017 Clinical (unspecified phase)
0.5906 Remote Similarity NPD1368 Approved
0.5874 Remote Similarity NPD9291 Approved
0.5867 Remote Similarity NPD237 Clinical (unspecified phase)
0.5867 Remote Similarity NPD578 Discontinued
0.5833 Remote Similarity NPD1354 Approved
0.5833 Remote Similarity NPD1356 Approved
0.5833 Remote Similarity NPD1355 Clinical (unspecified phase)
0.5828 Remote Similarity NPD580 Discontinued
0.5814 Remote Similarity NPD3849 Clinical (unspecified phase)
0.5805 Remote Similarity NPD4555 Clinical (unspecified phase)
0.5805 Remote Similarity NPD537 Phase 2
0.5805 Remote Similarity NPD534 Phase 2
0.5802 Remote Similarity NPD5627 Approved
0.5775 Remote Similarity NPD3913 Clinical (unspecified phase)
0.5773 Remote Similarity NPD5665 Clinical (unspecified phase)
0.5753 Remote Similarity NPD613 Phase 2
0.5743 Remote Similarity NPD9359 Approved
0.5743 Remote Similarity NPD9358 Approved
0.5742 Remote Similarity NPD579 Clinical (unspecified phase)
0.5739 Remote Similarity NPD5768 Phase 2
0.5734 Remote Similarity NPD8837 Clinical (unspecified phase)
0.5691 Remote Similarity NPD5757 Discontinued
0.5691 Remote Similarity NPD2591 Phase 2
0.5686 Remote Similarity NPD9290 Approved
0.5676 Remote Similarity NPD5171 Clinical (unspecified phase)
0.5673 Remote Similarity NPD6381 Phase 2
0.5669 Remote Similarity NPD9366 Approved
0.5668 Remote Similarity NPD2457 Phase 2
0.5668 Remote Similarity NPD2456 Phase 2
0.5663 Remote Similarity NPD4599 Clinical (unspecified phase)
0.5659 Remote Similarity NPD4089 Clinical (unspecified phase)
0.5657 Remote Similarity NPD4715 Clinical (unspecified phase)
0.5657 Remote Similarity NPD34 Approved
0.5657 Remote Similarity NPD4714 Approved
0.5657 Remote Similarity NPD4713 Clinical (unspecified phase)
0.5644 Remote Similarity NPD9551 Approved
0.5644 Remote Similarity NPD9550 Approved
0.5642 Remote Similarity NPD5269 Clinical (unspecified phase)
0.5613 Remote Similarity NPD4262 Discontinued
0.5603 Remote Similarity NPD6023 Discontinued
0.56 Remote Similarity NPD7323 Phase 2
0.56 Remote Similarity NPD3697 Discontinued

Structure

External Identifiers

PubChem CID   6303
ChEMBL   CHEMBL305686
ZINC  

Physicochemical Properties

Molecular Weight:  251.10
ALogP:  -2.0564
MLogP:  1.68
XLogP:  -1.637
# Rotatable Bonds:  5
Polar Surface Area:  119.31
# H-Bond Aceptor:  8
# H-Bond Donor:  3
# Rings:  3
# Heavy Atoms:  18

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
Similar NPs/Drugs