Natural Product: NPC160100

Natural Product ID:  NPC160100
Common Name:   Heliparvifoline
IUPAC Name:  
Synonyms:   Haplopine; Heliparvifoline
Molecular Formula:   C13H11NO4
Standard InCHIKey:  LJKPBWHZRNQEMO-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C13H11NO4/c1-16-11-7-3-4-9(15)12(17-2)10(7)14-13-8(11)5-6-18-13/h3-6,15H,1-2H3
Canonical SMILES:  COc1c(O)ccc2c1nc1occc1c2OC
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
NPO5451 Ageratina saltillensis Species Asteraceae Eukaryota UNPD*
NPO7966 Grewia villosa Species Malvaceae Eukaryota UNPD*
NPO25122 Conium maculatum Species Apiaceae Eukaryota UNPD*
NPO25358 Senecio gilliesi Species Asteraceae Eukaryota UNPD*
NPO5799 Streptomyces chryseus Species Streptomycetaceae Bacteria UNPD*
NPO25802 Agave deserti Species Asparagaceae Eukaryota UNPD*
NPO19672 Hosta sieboldiana Species Asparagaceae Eukaryota UNPD*
NPO25833 Asclepias subulata Species Apocynaceae Eukaryota UNPD*
NPO22264 Inula salsoloides Species Asteraceae Eukaryota UNPD*
NPO26160 Thielavia terricola Species Chaetomiaceae Eukaryota UNPD*
NPO26690 Lactarius subpiperatus Species Lactariidae Eukaryota UNPD*
NPO13313 Talipariti tiliaceum Species Malvaceae Eukaryota UNPD*
NPO26298 Zanthoxylum simulans Species Rutaceae Eukaryota UNPD*
NPO3963 Hortonia floribunda Species Monimiaceae Eukaryota UNPD*
NPO21390 Zanthoxylum integrifoliolum Species Rutaceae Eukaryota PMID[17822293]
NPO24478 Morinda coreia Species Rubiaceae Eukaryota UNPD*
NPO20206 Oricia suaveolens Species Rutaceae Eukaryota PMID[18950230]
NPO26849 Parmelia zollingeri Species Parmeliaceae Eukaryota UNPD*
NPO25259 Schrebera swietenoides Species Oleaceae Eukaryota UNPD*
NPO22890 Eutrochium purpureum Species Asteraceae Eukaryota UNPD*
NPO11130 Dictamni cortex NA NA NA TCMSP*
NPO11119 Salta triflora Species Polygonaceae Eukaryota UNPD*
NPO9650 Zanthoxylum nitidum Species Rutaceae Eukaryota TCMSP*
NPO28636 Vernonia lilacina Species Asteraceae Eukaryota UNPD*
NPO10830 Dictamnus dasycarpus Species Rutaceae Eukaryota TCM_Taiwan*
NPO3560 Trifolium montanum Species Fabaceae Eukaryota UNPD*
NPO14991 Zanthoxylum cuspidatum Species Rutaceae Eukaryota TCM_Taiwan*
NPO26992 Sophora leachiana Species Fabaceae Eukaryota UNPD*
NPO25406 Celastrus monospermus Species Celastraceae Eukaryota UNPD*
NPO25714 Solanum spirale Species Solanaceae Eukaryota UNPD*
NPO26789 Tephrosia bidwilli Species Geometridae Eukaryota UNPD*
NPO1267 Acronychia laurifolia Species Rutaceae Eukaryota UNPD*
NPO3005 Passiflora morifolia Species Passifloraceae Eukaryota UNPD*
NPO24547 Xanthoria parietina Species Teloschistaceae Eukaryota UNPD*
NPO9324 Notechis scutatus Species Elapidae Eukaryota UNPD*
NPO26203 Dysidea villosa Species Dysideidae Eukaryota UNPD*
NPO25201 Aglaia pyramidata Species Meliaceae Eukaryota UNPD*
NPO7171 Salvia polystachya Species Lamiaceae Eukaryota UNPD*
NPO1329 Esenbeckia hartmanii Species Rutaceae Eukaryota UNPD*
NPO26409 Plakortis simplex Species Plakinidae Eukaryota UNPD*
NPO10830 Dictamnus dasycarpus Species Rutaceae Eukaryota UNPD*
NPO24918 Jacobaea cannabifolia Species Asteraceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2740 Cell Line Neutrophils IC50 = 57320 nM 17822293
NPT26 Individual Protein Reverse transcriptase Human immunodeficiency virus 1 IC50 > 200 ug/ml 1710653
NPT81 Cell Line A549 Homo sapiens IC50 > 10000 nM 18950230
NPT48 Individual Protein Lysine-specific demethylase 4D-like Homo sapiens Potency = 28183.8 nM PubChem BioAssay data set
NPT2 Others Unspecified IC50 = 11490 nM PubChem BioAssay data set
NPT2629 Individual Protein FAD-linked sulfhydryl oxidase ALR Homo sapiens AC50 = 490 nM PubChem BioAssay data set
NPT4 Individual Protein Large T antigen Simian virus 40 IC50 19960 nM PubChem BioAssay data set
NPT6 Organism Plasmodium falciparum Plasmodium falciparum Potency 2616.9 nM PubChem BioAssay data set
NPT11 Individual Protein Guanine nucleotide-binding protein G(s), subunit alpha Homo sapiens Potency 3548.1 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 NPC160100 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
0.9673 High Similarity NPC34770
0.9635 High Similarity NPC58209
0.9409 High Similarity NPC166712
0.9367 High Similarity NPC208364
0.92 High Similarity NPC173250
0.9159 High Similarity NPC203373
0.9087 High Similarity NPC217176
0.9074 High Similarity NPC205372
0.9025 High Similarity NPC101312
0.9022 High Similarity NPC188400
0.8961 High Similarity NPC120513
0.895 High Similarity NPC140296
0.8945 High Similarity NPC97746
0.893 High Similarity NPC131885
0.8805 High Similarity NPC168922
0.8716 High Similarity NPC298436
0.8578 High Similarity NPC1608
0.8364 Intermediate Similarity NPC16066
0.8356 Intermediate Similarity NPC203168
0.8349 Intermediate Similarity NPC219664
0.8349 Intermediate Similarity NPC269367
0.8028 Intermediate Similarity NPC66815
0.7913 Intermediate Similarity NPC314633
0.7863 Intermediate Similarity NPC209981
0.7787 Intermediate Similarity NPC473188
0.7725 Intermediate Similarity NPC179287
0.7662 Intermediate Similarity NPC148409
0.7586 Intermediate Similarity NPC208084
0.7579 Intermediate Similarity NPC230683
0.757 Intermediate Similarity NPC89549
0.7511 Intermediate Similarity NPC146418
0.747 Intermediate Similarity NPC282346
0.746 Intermediate Similarity NPC134637
0.7395 Intermediate Similarity NPC200888
0.7393 Intermediate Similarity NPC247803
0.7391 Intermediate Similarity NPC129897
0.7384 Intermediate Similarity NPC94842
0.7371 Intermediate Similarity NPC114468
0.7362 Intermediate Similarity NPC185197
0.7342 Intermediate Similarity NPC279401
0.7342 Intermediate Similarity NPC79293
0.7339 Intermediate Similarity NPC2905
0.7336 Intermediate Similarity NPC6786
0.7331 Intermediate Similarity NPC150239
0.7328 Intermediate Similarity NPC291609
0.7319 Intermediate Similarity NPC134702
0.7319 Intermediate Similarity NPC184408
0.7317 Intermediate Similarity NPC475844
0.7309 Intermediate Similarity NPC161801
0.73 Intermediate Similarity NPC76478
0.7296 Intermediate Similarity NPC474594
0.7289 Intermediate Similarity NPC112937
0.7287 Intermediate Similarity NPC124300
0.7287 Intermediate Similarity NPC227824
0.7287 Intermediate Similarity NPC470042
0.7284 Intermediate Similarity NPC172222
0.7284 Intermediate Similarity NPC187501
0.7276 Intermediate Similarity NPC41501
0.7269 Intermediate Similarity NPC107123
0.7265 Intermediate Similarity NPC148391
0.7261 Intermediate Similarity NPC476997
0.7261 Intermediate Similarity NPC474595
0.726 Intermediate Similarity NPC42591
0.7257 Intermediate Similarity NPC174760
0.7247 Intermediate Similarity NPC49672
0.7246 Intermediate Similarity NPC46561
0.7246 Intermediate Similarity NPC182853
0.7231 Intermediate Similarity NPC476996
0.7231 Intermediate Similarity NPC476998
0.7227 Intermediate Similarity NPC118189
0.7217 Intermediate Similarity NPC304183
0.7215 Intermediate Similarity NPC62069
0.7205 Intermediate Similarity NPC317572
0.72 Intermediate Similarity NPC310618
0.719 Intermediate Similarity NPC274640
0.719 Intermediate Similarity NPC476994
0.7185 Intermediate Similarity NPC225279
0.7183 Intermediate Similarity NPC165964
0.7181 Intermediate Similarity NPC315634
0.7181 Intermediate Similarity NPC280714
0.7181 Intermediate Similarity NPC88923
0.7181 Intermediate Similarity NPC100734
0.7179 Intermediate Similarity NPC310211
0.7179 Intermediate Similarity NPC308137
0.7177 Intermediate Similarity NPC119134
0.7164 Intermediate Similarity NPC207620
0.7155 Intermediate Similarity NPC7560
0.7155 Intermediate Similarity NPC198503
0.7154 Intermediate Similarity NPC67401
0.7149 Intermediate Similarity NPC13249
0.7149 Intermediate Similarity NPC232225
0.7149 Intermediate Similarity NPC39500
0.7143 Intermediate Similarity NPC288987
0.7138 Intermediate Similarity NPC169716
0.7126 Intermediate Similarity NPC476995
0.7126 Intermediate Similarity NPC477589
0.7126 Intermediate Similarity NPC477587
0.7121 Intermediate Similarity NPC284685
0.7119 Intermediate Similarity NPC118228
0.7113 Intermediate Similarity NPC469439
0.7112 Intermediate Similarity NPC249583
0.7111 Intermediate Similarity NPC230403
0.7089 Intermediate Similarity NPC3207
0.7087 Intermediate Similarity NPC302807
0.7087 Intermediate Similarity NPC199277
0.7087 Intermediate Similarity NPC135887
0.7069 Intermediate Similarity NPC472286
0.7069 Intermediate Similarity NPC472287
0.7068 Intermediate Similarity NPC477586
0.7068 Intermediate Similarity NPC477588
0.7068 Intermediate Similarity NPC477585
0.7068 Intermediate Similarity NPC477590
0.7066 Intermediate Similarity NPC215837
0.7064 Intermediate Similarity NPC294375
0.7064 Intermediate Similarity NPC87413
0.7064 Intermediate Similarity NPC220241
0.7064 Intermediate Similarity NPC295479
0.7061 Intermediate Similarity NPC474688
0.7061 Intermediate Similarity NPC474701
0.7059 Intermediate Similarity NPC169402
0.7054 Intermediate Similarity NPC144452
0.7052 Intermediate Similarity NPC15406
0.7051 Intermediate Similarity NPC325297
0.7049 Intermediate Similarity NPC246381
0.7046 Intermediate Similarity NPC116238
0.7043 Intermediate Similarity NPC318068
0.7039 Intermediate Similarity NPC283117
0.7029 Intermediate Similarity NPC174576
0.7027 Intermediate Similarity NPC191489
0.7026 Intermediate Similarity NPC196449
0.7026 Intermediate Similarity NPC314222
0.7025 Intermediate Similarity NPC51388
0.702 Intermediate Similarity NPC77878
0.7016 Intermediate Similarity NPC473187
0.7011 Intermediate Similarity NPC132385
0.7009 Intermediate Similarity NPC210828
0.7009 Intermediate Similarity NPC86834
0.7004 Intermediate Similarity NPC30749
0.6996 Remote Similarity NPC473449
0.6996 Remote Similarity NPC194040
0.6992 Remote Similarity NPC23294
0.6988 Remote Similarity NPC184680
0.6987 Remote Similarity NPC293151
0.6984 Remote Similarity NPC316224
0.6983 Remote Similarity NPC41216
0.6978 Remote Similarity NPC144381
0.6977 Remote Similarity NPC472589
0.6971 Remote Similarity NPC54066
0.6967 Remote Similarity NPC285254
0.6966 Remote Similarity NPC321428
0.6964 Remote Similarity NPC66083
0.696 Remote Similarity NPC470785
0.6958 Remote Similarity NPC195120
0.6958 Remote Similarity NPC473822
0.6958 Remote Similarity NPC87560
0.6957 Remote Similarity NPC78609
0.6953 Remote Similarity NPC183537
0.695 Remote Similarity NPC258048
0.6949 Remote Similarity NPC303951
0.6941 Remote Similarity NPC270515
0.6936 Remote Similarity NPC39679
0.6935 Remote Similarity NPC329631
0.6933 Remote Similarity NPC268223
0.6923 Remote Similarity NPC45190
0.692 Remote Similarity NPC218303
0.6914 Remote Similarity NPC148124
0.6908 Remote Similarity NPC277351
0.6908 Remote Similarity NPC208898
0.6908 Remote Similarity NPC39370
0.6908 Remote Similarity NPC253675
0.6908 Remote Similarity NPC471978
0.6907 Remote Similarity NPC209769
0.6901 Remote Similarity NPC118154
0.6901 Remote Similarity NPC157983
0.6899 Remote Similarity NPC472588
0.6894 Remote Similarity NPC4687
0.6894 Remote Similarity NPC471979
0.6894 Remote Similarity NPC212123
0.6892 Remote Similarity NPC470784
0.6892 Remote Similarity NPC474183
0.6891 Remote Similarity NPC116178
0.6891 Remote Similarity NPC305542
0.6887 Remote Similarity NPC473800
0.688 Remote Similarity NPC473639
0.6873 Remote Similarity NPC472435
0.6872 Remote Similarity NPC99724
0.6867 Remote Similarity NPC473182
0.6862 Remote Similarity NPC217903
0.6855 Remote Similarity NPC476999
0.6853 Remote Similarity NPC473183
0.6842 Remote Similarity NPC194740
0.6838 Remote Similarity NPC148889
0.6838 Remote Similarity NPC99891
0.6833 Remote Similarity NPC176113
0.6833 Remote Similarity NPC283152
0.6831 Remote Similarity NPC128115
0.6828 Remote Similarity NPC45389
0.6827 Remote Similarity NPC473186
0.6822 Remote Similarity NPC193238
0.6822 Remote Similarity NPC133609

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC160100 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
0.7787 Intermediate Similarity NPD1505 Phase 2
0.7763 Intermediate Similarity NPD2433 Clinical (unspecified phase)
0.7602 Intermediate Similarity NPD6525 Clinical (unspecified phase)
0.7511 Intermediate Similarity NPD6974 Phase 3
0.7448 Intermediate Similarity NPD4898 Clinical (unspecified phase)
0.7362 Intermediate Similarity NPD2899 Discontinued
0.7358 Intermediate Similarity NPD6716 Phase 1
0.7313 Intermediate Similarity NPD2779 Approved
0.7208 Intermediate Similarity NPD3925 Approved
0.7202 Intermediate Similarity NPD1867 Approved
0.7191 Intermediate Similarity NPD4667 Clinical (unspecified phase)
0.7181 Intermediate Similarity NPD2778 Approved
0.7181 Intermediate Similarity NPD7803 Approved
0.7178 Intermediate Similarity NPD3263 Phase 3
0.7149 Intermediate Similarity NPD1483 Discontinued
0.7137 Intermediate Similarity NPD7025 Clinical (unspecified phase)
0.7131 Intermediate Similarity NPD1467 Approved
0.7131 Intermediate Similarity NPD1466 Phase 3
0.7121 Intermediate Similarity NPD7956 Approved
0.7121 Intermediate Similarity NPD7955 Approved
0.7119 Intermediate Similarity NPD5417 Clinical (unspecified phase)
0.7114 Intermediate Similarity NPD2951 Discontinued
0.7113 Intermediate Similarity NPD7180 Phase 3
0.7108 Intermediate Similarity NPD7417 Discontinued
0.709 Intermediate Similarity NPD5022 Discontinued
0.7027 Intermediate Similarity NPD7708 Approved
0.7025 Intermediate Similarity NPD7547 Clinical (unspecified phase)
0.7021 Intermediate Similarity NPD1166 Clinical (unspecified phase)
0.7016 Intermediate Similarity NPD7853 Phase 2
0.7008 Intermediate Similarity NPD4328 Approved
0.7004 Intermediate Similarity NPD4373 Phase 2
0.6992 Remote Similarity NPD6962 Phase 2
0.6992 Remote Similarity NPD7859 Phase 2
0.6974 Remote Similarity NPD5512 Phase 3
0.6967 Remote Similarity NPD5640 Discontinued
0.6958 Remote Similarity NPD7395 Discontinued
0.6951 Remote Similarity NPD5924 Discontinued
0.6935 Remote Similarity NPD6741 Clinical (unspecified phase)
0.6929 Remote Similarity NPD3258 Approved
0.6923 Remote Similarity NPD3507 Phase 2
0.692 Remote Similarity NPD5805 Approved
0.6918 Remote Similarity NPD7690 Clinical (unspecified phase)
0.6917 Remote Similarity NPD5922 Phase 3
0.6914 Remote Similarity NPD5482 Discontinued
0.6914 Remote Similarity NPD6160 Clinical (unspecified phase)
0.6902 Remote Similarity NPD3328 Phase 2
0.6895 Remote Similarity NPD7031 Phase 1
0.6888 Remote Similarity NPD5632 Approved
0.6883 Remote Similarity NPD4952 Phase 3
0.6867 Remote Similarity NPD6494 Phase 2
0.6862 Remote Similarity NPD3945 Discontinued
0.6857 Remote Similarity NPD6247 Clinical (unspecified phase)
0.685 Remote Similarity NPD6495 Clinical (unspecified phase)
0.6849 Remote Similarity NPD5416 Discontinued
0.6849 Remote Similarity NPD7703 Clinical (unspecified phase)
0.6844 Remote Similarity NPD6824 Clinical (unspecified phase)
0.6844 Remote Similarity NPD2285 Clinical (unspecified phase)
0.6834 Remote Similarity NPD4926 Clinical (unspecified phase)
0.6833 Remote Similarity NPD3257 Approved
0.6833 Remote Similarity NPD1638 Discovery
0.683 Remote Similarity NPD5083 Clinical (unspecified phase)
0.6822 Remote Similarity NPD5429 Discontinued
0.682 Remote Similarity NPD8091 Phase 3
0.682 Remote Similarity NPD5866 Approved
0.6818 Remote Similarity NPD6456 Discontinued
0.6813 Remote Similarity NPD3006 Discontinued
0.6807 Remote Similarity NPD648 Clinical (unspecified phase)
0.6798 Remote Similarity NPD7885 Phase 2
0.6798 Remote Similarity NPD7886 Phase 2
0.6797 Remote Similarity NPD5488 Discontinued
0.6795 Remote Similarity NPD5857 Phase 3
0.6792 Remote Similarity NPD7571 Clinical (unspecified phase)
0.6778 Remote Similarity NPD6567 Clinical (unspecified phase)
0.6773 Remote Similarity NPD6964 Approved
0.6773 Remote Similarity NPD6963 Approved
0.6772 Remote Similarity NPD6790 Phase 1
0.6769 Remote Similarity NPD8463 Approved
0.6769 Remote Similarity NPD5532 Phase 2
0.6758 Remote Similarity NPD5483 Clinical (unspecified phase)
0.6751 Remote Similarity NPD7222 Phase 2
0.6749 Remote Similarity NPD4429 Discontinued
0.6745 Remote Similarity NPD7022 Phase 2
0.6732 Remote Similarity NPD2921 Clinical (unspecified phase)
0.6719 Remote Similarity NPD4368 Phase 2
0.6708 Remote Similarity NPD5443 Clinical (unspecified phase)
0.6705 Remote Similarity NPD6228 Discontinued
0.6694 Remote Similarity NPD5902 Approved
0.6694 Remote Similarity NPD7538 Clinical (unspecified phase)
0.6694 Remote Similarity NPD5903 Approved
0.6693 Remote Similarity NPD4394 Clinical (unspecified phase)
0.6692 Remote Similarity NPD6503 Clinical (unspecified phase)
0.6681 Remote Similarity NPD6550 Discontinued
0.668 Remote Similarity NPD5479 Discontinued
0.668 Remote Similarity NPD8102 Discontinued
0.668 Remote Similarity NPD7589 Clinical (unspecified phase)
0.6679 Remote Similarity NPD1955 Discontinued
0.6667 Remote Similarity NPD5817 Discontinued
0.6667 Remote Similarity NPD7268 Clinical (unspecified phase)
0.6667 Remote Similarity NPD3259 Approved
0.6667 Remote Similarity NPD8359 Phase 2
0.6667 Remote Similarity NPD6553 Clinical (unspecified phase)
0.6654 Remote Similarity NPD3986 Discontinued
0.6654 Remote Similarity NPD4846 Phase 2
0.6653 Remote Similarity NPD3875 Discontinued
0.6639 Remote Similarity NPD4502 Phase 2
0.6627 Remote Similarity NPD4885 Approved
0.6627 Remote Similarity NPD7426 Phase 1
0.6626 Remote Similarity NPD5293 Phase 2
0.6617 Remote Similarity NPD7862 Clinical (unspecified phase)
0.6615 Remote Similarity NPD6517 Phase 3
0.6611 Remote Similarity NPD7452 Approved
0.6611 Remote Similarity NPD7453 Approved
0.6604 Remote Similarity NPD5450 Discontinued
0.6601 Remote Similarity NPD7558 Phase 2
0.6598 Remote Similarity NPD3392 Approved
0.6594 Remote Similarity NPD8460 Approved
0.6594 Remote Similarity NPD8459 Approved
0.6587 Remote Similarity NPD7284 Clinical (unspecified phase)
0.6583 Remote Similarity NPD5658 Approved
0.6578 Remote Similarity NPD3920 Phase 2
0.6578 Remote Similarity NPD6252 Clinical (unspecified phase)
0.6574 Remote Similarity NPD7710 Clinical (unspecified phase)
0.6571 Remote Similarity NPD5164 Discontinued
0.6569 Remote Similarity NPD4305 Clinical (unspecified phase)
0.6561 Remote Similarity NPD3746 Discontinued
0.6557 Remote Similarity NPD4897 Phase 2
0.655 Remote Similarity NPD5256 Discontinued
0.6537 Remote Similarity NPD2564 Approved
0.6537 Remote Similarity NPD2565 Phase 2
0.6527 Remote Similarity NPD3946 Clinical (unspecified phase)
0.6523 Remote Similarity NPD7048 Phase 3
0.6523 Remote Similarity NPD4958 Clinical (unspecified phase)
0.6509 Remote Similarity NPD8466 Approved
0.6509 Remote Similarity NPD8465 Approved
0.6509 Remote Similarity NPD8467 Approved
0.6502 Remote Similarity NPD683 Approved
0.65 Remote Similarity NPD3003 Approved
0.6496 Remote Similarity NPD7796 Approved
0.6496 Remote Similarity NPD7797 Approved
0.6496 Remote Similarity NPD6590 Discontinued
0.6496 Remote Similarity NPD6861 Clinical (unspecified phase)
0.6478 Remote Similarity NPD1926 Approved
0.6475 Remote Similarity NPD7069 Discontinued
0.6473 Remote Similarity NPD7263 Phase 2
0.6471 Remote Similarity NPD6625 Approved
0.6469 Remote Similarity NPD6745 Discontinued
0.6466 Remote Similarity NPD8255 Phase 2
0.6463 Remote Similarity NPD5612 Discontinued
0.6461 Remote Similarity NPD4900 Clinical (unspecified phase)
0.6456 Remote Similarity NPD1768 Approved
0.6447 Remote Similarity NPD4204 Approved
0.6447 Remote Similarity NPD4203 Approved
0.6447 Remote Similarity NPD6104 Discontinued
0.6444 Remote Similarity NPD956 Clinical (unspecified phase)
0.6442 Remote Similarity NPD8461 Discontinued
0.6441 Remote Similarity NPD5003 Discontinued
0.6437 Remote Similarity NPD3949 Clinical (unspecified phase)
0.6429 Remote Similarity NPD8279 Clinical (unspecified phase)
0.6426 Remote Similarity NPD4418 Discontinued
0.6426 Remote Similarity NPD5930 Phase 3
0.642 Remote Similarity NPD3250 Phase 1
0.6417 Remote Similarity NPD1659 Phase 1
0.6416 Remote Similarity NPD8426 Approved
0.6416 Remote Similarity NPD8425 Approved
0.641 Remote Similarity NPD8363 Approved
0.641 Remote Similarity NPD8364 Approved
0.6403 Remote Similarity NPD7181 Phase 3
0.64 Remote Similarity NPD4923 Phase 1
0.64 Remote Similarity NPD7907 Approved
0.64 Remote Similarity NPD5506 Approved
0.64 Remote Similarity NPD5507 Approved
0.6397 Remote Similarity NPD6773 Clinical (unspecified phase)
0.6394 Remote Similarity NPD6531 Approved
0.6394 Remote Similarity NPD6530 Approved
0.6393 Remote Similarity NPD2081 Clinical (unspecified phase)
0.6393 Remote Similarity NPD5914 Approved
0.6392 Remote Similarity NPD3441 Approved
0.6392 Remote Similarity NPD3442 Approved
0.639 Remote Similarity NPD8427 Approved
0.639 Remote Similarity NPD8429 Approved
0.639 Remote Similarity NPD3217 Phase 2
0.639 Remote Similarity NPD8428 Approved
0.639 Remote Similarity NPD5102 Clinical (unspecified phase)
0.6387 Remote Similarity NPD6874 Approved
0.6387 Remote Similarity NPD5459 Phase 2
0.6381 Remote Similarity NPD7169 Suspended
0.6379 Remote Similarity NPD7467 Discontinued
0.6371 Remote Similarity NPD4989 Phase 2
0.6371 Remote Similarity NPD6988 Phase 1
0.6367 Remote Similarity NPD4131 Phase 3
0.6364 Remote Similarity NPD3842 Clinical (unspecified phase)
0.6364 Remote Similarity NPD4901 Clinical (unspecified phase)
0.6364 Remote Similarity NPD7603 Discontinued
0.6364 Remote Similarity NPD8365 Clinical (unspecified phase)
0.6364 Remote Similarity NPD4369 Phase 2
0.636 Remote Similarity NPD5850 Phase 3
0.636 Remote Similarity NPD4876 Phase 3
0.636 Remote Similarity NPD4875 Phase 3
0.6353 Remote Similarity NPD5801 Clinical (unspecified phase)
0.6345 Remote Similarity NPD6198 Phase 1

Structure

External Identifiers

PubChem CID  
ChEMBL   CHEMBL455007
ZINC  

Physicochemical Properties

Molecular Weight:  245.07
ALogP:  -0.718
MLogP:  2.34
XLogP:  1.105
# Rotatable Bonds:  5
Polar Surface Area:  64.72
# H-Bond Aceptor:  1
# H-Bond Donor:  1
# Rings:  3
# Heavy Atoms:  18

Download Data

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