Natural Product: NPC221104

Natural Product ID:  NPC221104
Common Name:   (S)-8-Hydroxy-3-Methyl-1-Oxo-Isochroman-5-Carboxylic Acid
IUPAC Name:   (3S)-8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-5-carboxylic acid
Synonyms:  
Molecular Formula:   C11H10O5
Standard InCHIKey:  QRLBIKRXEQOMSF-YFKPBYRVSA-N
Standard InCHI:  InChI=1S/C11H10O5/c1-5-4-7-6(10(13)14)2-3-8(12)9(7)11(15)16-5/h2-3,5,12H,4H2,1H3,(H,13,14)/t5-/m0/s1
Canonical SMILES:  C[C@@H]1OC(=O)c2c(C1)c(ccc2O)C(=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
NPO24461 Clusia sandiensis Species Clusiidae Eukaryota UNPD*
NPO22152 Tecoma undulata Species Bignoniaceae Eukaryota UNPD*
NPO24730 Lactarius deliciosus Species Russulaceae Eukaryota UNPD*
NPO25366 Sapium indicum Species Euphorbiaceae Eukaryota UNPD*
NPO25441 Desmodium pulchellu Species Fabaceae Eukaryota UNPD*
NPO24802 Diploprion bifasciatum Species Serranidae Eukaryota UNPD*
NPO24278 Pistacia chinensis Species Anacardiaceae Eukaryota UNPD*
NPO18706 Anemone thalictroides Species Ranunculaceae Eukaryota UNPD*
NPO23994 Ormosia macrophylla Species Limoniidae Eukaryota UNPD*
NPO3721 Achyranthes obtusifolia Species Amaranthaceae Eukaryota UNPD*
NPO24852 Helicia nilagirica Species Proteaceae Eukaryota UNPD*
NPO23894 Pulicaria insignis Species Asteraceae Eukaryota UNPD*
NPO22283 Alhagi maurorum Species Fabaceae Eukaryota UNPD*
NPO23788 Beauveria bassiana Species Cordycipitaceae Eukaryota UNPD*
NPO15482 Vanderbylia fraxinea Species Polyporaceae Eukaryota UNPD*
NPO27746 Taxus mairei Species Taxaceae Eukaryota UNPD*
NPO25466 Lecanora sulphurella Species Lecanoraceae Eukaryota UNPD*
NPO25389 Allium angulosum Species Amaryllidaceae Eukaryota UNPD*
NPO25277 Seiridium cupressi Species Sporocadaceae Eukaryota UNPD*
NPO25311 Guettarda platypoda Species Rubiaceae Eukaryota UNPD*
NPO24566 Marasmiellus ramealis Species Omphalotaceae Eukaryota UNPD*
NPO6003 Halorosellinia oceanica Species Xylariaceae Eukaryota PMID[11454459]
NPO20264 Moonia heterophylla NA NA NA UNPD*
NPO27390 Vernonia brevifolia Species Asteraceae Eukaryota UNPD*
NPO24373 Lobelia inflata Species Campanulaceae Eukaryota UNPD*
NPO25252 Nannocystis exedens Species Nannocystaceae Bacteria UNPD*
NPO28460 Achyrocline tomentosa Species Asteraceae Eukaryota UNPD*
NPO22618 Psolus eximius Species Psolidae Eukaryota UNPD*
NPO6645.1 Picea jezoensis var. jezoensis Varieties Pinaceae Eukaryota UNPD*
NPO25054 Phaleria macrocarpa Species Thymelaeaceae Eukaryota UNPD*
NPO14189 Osmundaria spiralis Species Rhodomelaceae Eukaryota UNPD*
NPO24882 Erythrophleum chlorostachys Species Fabaceae Eukaryota UNPD*
NPO24607 Goniothalamus dolichocarpus Species Annonaceae Eukaryota UNPD*
NPO25492 Botryllus leachi Species Styelidae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT91 Cell Line KB Homo sapiens IC50 = 3 ug/ml 11454459
NPT929 Cell Line BC1 cell line IC50 = 3 ug/ml 11454459
NPT6 Organism Plasmodium falciparum Plasmodium falciparum IC50 = 4 ug/ml 11454459

  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 NPC221104 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
0.9776 High Similarity NPC470842
0.9697 High Similarity NPC291454
0.9481 High Similarity NPC88269
0.9412 High Similarity NPC472601
0.9412 High Similarity NPC472600
0.9343 High Similarity NPC472604
0.9343 High Similarity NPC472605
0.9343 High Similarity NPC472603
0.9333 High Similarity NPC301915
0.9333 High Similarity NPC261292
0.9328 High Similarity NPC142027
0.9328 High Similarity NPC27407
0.9318 High Similarity NPC214702
0.9318 High Similarity NPC470831
0.9281 High Similarity NPC151607
0.9281 High Similarity NPC42540
0.9259 High Similarity NPC235115
0.9209 High Similarity NPC472610
0.9209 High Similarity NPC159721
0.913 High Similarity NPC155205
0.9124 High Similarity NPC472602
0.9118 High Similarity NPC50455
0.9078 High Similarity NPC473692
0.9071 High Similarity NPC471731
0.9071 High Similarity NPC478202
0.9065 High Similarity NPC478217
0.9065 High Similarity NPC478201
0.9065 High Similarity NPC313123
0.9065 High Similarity NPC37530
0.9065 High Similarity NPC472035
0.9065 High Similarity NPC53649
0.9058 High Similarity NPC275356
0.9051 High Similarity NPC70380
0.9051 High Similarity NPC245058
0.9044 High Similarity NPC470844
0.9037 High Similarity NPC153783
0.9014 High Similarity NPC473023
0.9 High Similarity NPC471733
0.9 High Similarity NPC82913
0.8993 High Similarity NPC99441
0.8986 High Similarity NPC94248
0.8986 High Similarity NPC33144
0.8986 High Similarity NPC126739
0.8986 High Similarity NPC191835
0.8986 High Similarity NPC212693
0.8986 High Similarity NPC197666
0.8986 High Similarity NPC478200
0.8978 High Similarity NPC158481
0.8936 High Similarity NPC469542
0.8929 High Similarity NPC149533
0.8929 High Similarity NPC158634
0.8921 High Similarity NPC92655
0.8921 High Similarity NPC268052
0.8921 High Similarity NPC105456
0.8921 High Similarity NPC32360
0.8921 High Similarity NPC139634
0.8921 High Similarity NPC52358
0.8913 High Similarity NPC71256
0.8913 High Similarity NPC194579
0.8897 High Similarity NPC43627
0.8889 High Similarity NPC189823
0.8889 High Similarity NPC219892
0.8873 High Similarity NPC478203
0.8873 High Similarity NPC210966
0.8873 High Similarity NPC126882
0.8865 High Similarity NPC322112
0.8857 High Similarity NPC158472
0.8857 High Similarity NPC168471
0.8849 High Similarity NPC177307
0.8849 High Similarity NPC9121
0.8841 High Similarity NPC156967
0.8841 High Similarity NPC472599
0.8832 High Similarity NPC175943
0.8832 High Similarity NPC474097
0.8819 High Similarity NPC471734
0.8811 High Similarity NPC472034
0.8811 High Similarity NPC257558
0.8794 High Similarity NPC67650
0.8794 High Similarity NPC1704
0.8777 High Similarity NPC65837
0.8777 High Similarity NPC474771
0.8777 High Similarity NPC149372
0.8777 High Similarity NPC135837
0.8777 High Similarity NPC474849
0.8777 High Similarity NPC178467
0.875 High Similarity NPC472033
0.875 High Similarity NPC471735
0.875 High Similarity NPC260946
0.8732 High Similarity NPC469579
0.8732 High Similarity NPC474385
0.8723 High Similarity NPC165172
0.8723 High Similarity NPC64664
0.8714 High Similarity NPC61590
0.8714 High Similarity NPC475974
0.8714 High Similarity NPC472403
0.8696 High Similarity NPC475645
0.869 High Similarity NPC166583
0.869 High Similarity NPC472036
0.869 High Similarity NPC476463
0.869 High Similarity NPC53362
0.8686 High Similarity NPC476389
0.8681 High Similarity NPC83272
0.8676 High Similarity NPC296158
0.8676 High Similarity NPC473271
0.8671 High Similarity NPC51106
0.8671 High Similarity NPC472006
0.8671 High Similarity NPC66593
0.8667 High Similarity NPC473744
0.8662 High Similarity NPC244923
0.8662 High Similarity NPC475730
0.8652 High Similarity NPC247409
0.8652 High Similarity NPC295339
0.8652 High Similarity NPC474655
0.8647 High Similarity NPC184219
0.8633 High Similarity NPC180905
0.8633 High Similarity NPC278375
0.8633 High Similarity NPC182496
0.863 High Similarity NPC153417
0.8621 High Similarity NPC225173
0.8621 High Similarity NPC163846
0.8611 High Similarity NPC280404
0.8611 High Similarity NPC86373
0.8611 High Similarity NPC210425
0.8611 High Similarity NPC277426
0.8601 High Similarity NPC250755
0.8591 High Similarity NPC192189
0.8581 High Similarity NPC215921
0.8581 High Similarity NPC70016
0.8571 High Similarity NPC247219
0.8571 High Similarity NPC270160
0.8571 High Similarity NPC4423
0.8571 High Similarity NPC77325
0.8571 High Similarity NPC237440
0.8562 High Similarity NPC125801
0.8562 High Similarity NPC119767
0.8531 High Similarity NPC130485
0.8531 High Similarity NPC257003
0.8531 High Similarity NPC90411
0.8529 High Similarity NPC95537
0.8523 High Similarity NPC295646
0.8523 High Similarity NPC271681
0.8521 High Similarity NPC299405
0.8521 High Similarity NPC111422
0.8521 High Similarity NPC29771
0.8521 High Similarity NPC306835
0.8521 High Similarity NPC471602
0.8521 High Similarity NPC256463
0.8521 High Similarity NPC476477
0.8521 High Similarity NPC216312
0.8519 High Similarity NPC95309
0.8514 High Similarity NPC205766
0.8514 High Similarity NPC119929
0.8514 High Similarity NPC470107
0.8514 High Similarity NPC179178
0.8514 High Similarity NPC56204
0.8507 High Similarity NPC265910
0.8507 High Similarity NPC91475
0.8503 High Similarity NPC37139
0.8503 High Similarity NPC471641
0.8503 High Similarity NPC240253
0.8503 High Similarity NPC471642
0.8503 High Similarity NPC221352
0.8503 High Similarity NPC73411
0.8503 High Similarity NPC215711
0.8503 High Similarity NPC240622
0.8496 Intermediate Similarity NPC67300
0.8493 Intermediate Similarity NPC202112
0.8493 Intermediate Similarity NPC267509
0.8493 Intermediate Similarity NPC107625
0.8493 Intermediate Similarity NPC470570
0.8493 Intermediate Similarity NPC51513
0.8489 Intermediate Similarity NPC48036
0.8483 Intermediate Similarity NPC193703
0.8483 Intermediate Similarity NPC21599
0.8483 Intermediate Similarity NPC48762
0.8478 Intermediate Similarity NPC473777
0.8478 Intermediate Similarity NPC7012
0.8472 Intermediate Similarity NPC314271
0.8467 Intermediate Similarity NPC472799
0.8462 Intermediate Similarity NPC241349
0.8462 Intermediate Similarity NPC327916
0.8462 Intermediate Similarity NPC42262
0.8462 Intermediate Similarity NPC32749
0.8462 Intermediate Similarity NPC220496
0.8462 Intermediate Similarity NPC147542
0.8462 Intermediate Similarity NPC156872
0.8462 Intermediate Similarity NPC37992
0.8456 Intermediate Similarity NPC133856
0.8451 Intermediate Similarity NPC112135
0.8446 Intermediate Similarity NPC291049
0.8446 Intermediate Similarity NPC198927
0.8446 Intermediate Similarity NPC84142
0.8446 Intermediate Similarity NPC233267
0.8446 Intermediate Similarity NPC476684
0.8444 Intermediate Similarity NPC201728
0.8444 Intermediate Similarity NPC262671
0.8442 Intermediate Similarity NPC473022
0.844 Intermediate Similarity NPC118919
0.8435 Intermediate Similarity NPC14098
0.8435 Intermediate Similarity NPC137296

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC221104 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
0.8652 High Similarity NPD970 Clinical (unspecified phase)
0.8467 Intermediate Similarity NPD7819 Suspended
0.8299 Intermediate Similarity NPD2533 Approved
0.8299 Intermediate Similarity NPD2532 Approved
0.8299 Intermediate Similarity NPD2534 Approved
0.8258 Intermediate Similarity NPD9545 Approved
0.8252 Intermediate Similarity NPD2935 Discontinued
0.8138 Intermediate Similarity NPD1549 Phase 2
0.8106 Intermediate Similarity NPD9493 Approved
0.8092 Intermediate Similarity NPD7411 Suspended
0.8069 Intermediate Similarity NPD1550 Clinical (unspecified phase)
0.8069 Intermediate Similarity NPD1552 Clinical (unspecified phase)
0.8065 Intermediate Similarity NPD7075 Discontinued
0.8056 Intermediate Similarity NPD1509 Clinical (unspecified phase)
0.8056 Intermediate Similarity NPD1510 Phase 2
0.8028 Intermediate Similarity NPD1240 Approved
0.8 Intermediate Similarity NPD5408 Approved
0.8 Intermediate Similarity NPD5405 Approved
0.8 Intermediate Similarity NPD5404 Approved
0.8 Intermediate Similarity NPD5406 Approved
0.7987 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.7987 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.7972 Intermediate Similarity NPD230 Phase 1
0.7961 Intermediate Similarity NPD3226 Approved
0.7959 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.7935 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.7917 Intermediate Similarity NPD1607 Approved
0.7914 Intermediate Similarity NPD1164 Approved
0.7911 Intermediate Similarity NPD6959 Discontinued
0.7908 Intermediate Similarity NPD4380 Phase 2
0.7887 Intermediate Similarity NPD3764 Approved
0.7875 Intermediate Similarity NPD7852 Clinical (unspecified phase)
0.7862 Intermediate Similarity NPD6232 Discontinued
0.7823 Intermediate Similarity NPD2346 Discontinued
0.7815 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.7806 Intermediate Similarity NPD1934 Approved
0.7806 Intermediate Similarity NPD6801 Discontinued
0.7786 Intermediate Similarity NPD1470 Approved
0.7785 Intermediate Similarity NPD3750 Approved
0.7771 Intermediate Similarity NPD7768 Phase 2
0.7755 Intermediate Similarity NPD1551 Phase 2
0.7754 Intermediate Similarity NPD1201 Approved
0.775 Intermediate Similarity NPD5710 Approved
0.775 Intermediate Similarity NPD5711 Approved
0.773 Intermediate Similarity NPD5844 Phase 1
0.7722 Intermediate Similarity NPD3749 Approved
0.7716 Intermediate Similarity NPD7473 Discontinued
0.7712 Intermediate Similarity NPD920 Approved
0.7698 Intermediate Similarity NPD9717 Approved
0.7687 Intermediate Similarity NPD2799 Discontinued
0.7667 Intermediate Similarity NPD1878 Clinical (unspecified phase)
0.7667 Intermediate Similarity NPD4628 Phase 3
0.766 Intermediate Similarity NPD1203 Approved
0.7655 Intermediate Similarity NPD943 Approved
0.7635 Intermediate Similarity NPD2796 Approved
0.7632 Intermediate Similarity NPD6799 Approved
0.7613 Intermediate Similarity NPD5808 Clinical (unspecified phase)
0.76 Intermediate Similarity NPD2800 Approved
0.76 Intermediate Similarity NPD1243 Approved
0.7582 Intermediate Similarity NPD7410 Clinical (unspecified phase)
0.7574 Intermediate Similarity NPD405 Clinical (unspecified phase)
0.7574 Intermediate Similarity NPD8150 Discontinued
0.7568 Intermediate Similarity NPD651 Clinical (unspecified phase)
0.7566 Intermediate Similarity NPD643 Clinical (unspecified phase)
0.7564 Intermediate Similarity NPD6599 Discontinued
0.7547 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.7532 Intermediate Similarity NPD1465 Phase 2
0.7517 Intermediate Similarity NPD411 Approved
0.7516 Intermediate Similarity NPD1511 Approved
0.7516 Intermediate Similarity NPD7390 Discontinued
0.75 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD74 Approved
0.75 Intermediate Similarity NPD9266 Approved
0.7483 Intermediate Similarity NPD447 Suspended
0.7468 Intermediate Similarity NPD642 Clinical (unspecified phase)
0.7465 Intermediate Similarity NPD1283 Approved
0.7453 Intermediate Similarity NPD919 Approved
0.745 Intermediate Similarity NPD3748 Approved
0.7447 Intermediate Similarity NPD1608 Approved
0.7438 Intermediate Similarity NPD3882 Suspended
0.7434 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.7432 Intermediate Similarity NPD6651 Approved
0.7424 Intermediate Similarity NPD9264 Approved
0.7424 Intermediate Similarity NPD9263 Approved
0.7424 Intermediate Similarity NPD9267 Approved
0.7424 Intermediate Similarity NPD9265 Clinical (unspecified phase)
0.7419 Intermediate Similarity NPD1512 Approved
0.7407 Intermediate Similarity NPD5494 Approved
0.7397 Intermediate Similarity NPD1699 Clinical (unspecified phase)
0.7397 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.7397 Intermediate Similarity NPD2313 Discontinued
0.7381 Intermediate Similarity NPD6559 Discontinued
0.7379 Intermediate Similarity NPD6832 Phase 2
0.7375 Intermediate Similarity NPD3817 Phase 2
0.7365 Intermediate Similarity NPD1899 Clinical (unspecified phase)
0.7357 Intermediate Similarity NPD4626 Approved
0.7355 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.7351 Intermediate Similarity NPD2344 Approved
0.7347 Intermediate Similarity NPD520 Approved
0.7333 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.7333 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.7333 Intermediate Similarity NPD6166 Phase 2
0.7321 Intermediate Similarity NPD5953 Discontinued
0.732 Intermediate Similarity NPD7003 Approved
0.7312 Intermediate Similarity NPD2801 Approved
0.7305 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.7305 Intermediate Similarity NPD7286 Phase 2
0.7294 Intermediate Similarity NPD8312 Approved
0.7294 Intermediate Similarity NPD8313 Approved
0.7286 Intermediate Similarity NPD5691 Approved
0.7283 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.7262 Intermediate Similarity NPD7074 Phase 3
0.7254 Intermediate Similarity NPD1281 Approved
0.7254 Intermediate Similarity NPD1547 Clinical (unspecified phase)
0.7246 Intermediate Similarity NPD3818 Discontinued
0.7241 Intermediate Similarity NPD1019 Discontinued
0.7234 Intermediate Similarity NPD17 Approved
0.7219 Intermediate Similarity NPD7033 Discontinued
0.7203 Intermediate Similarity NPD9269 Phase 2
0.7202 Intermediate Similarity NPD7054 Approved
0.7197 Intermediate Similarity NPD6273 Approved
0.7181 Intermediate Similarity NPD4060 Phase 1
0.7174 Intermediate Similarity NPD9281 Approved
0.717 Intermediate Similarity NPD7458 Discontinued
0.7163 Intermediate Similarity NPD4196 Clinical (unspecified phase)
0.7163 Intermediate Similarity NPD9268 Approved
0.7162 Intermediate Similarity NPD3268 Approved
0.7161 Intermediate Similarity NPD6190 Approved
0.7161 Intermediate Similarity NPD2309 Approved
0.716 Intermediate Similarity NPD7472 Approved
0.716 Intermediate Similarity NPD5402 Approved
0.7152 Intermediate Similarity NPD5403 Approved
0.7152 Intermediate Similarity NPD1247 Approved
0.7143 Intermediate Similarity NPD7177 Discontinued
0.7135 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.7134 Intermediate Similarity NPD5401 Approved
0.7134 Intermediate Similarity NPD7422 Clinical (unspecified phase)
0.7133 Intermediate Similarity NPD422 Phase 1
0.7124 Intermediate Similarity NPD1471 Phase 3
0.7123 Intermediate Similarity NPD2798 Approved
0.7121 Intermediate Similarity NPD9261 Approved
0.7119 Intermediate Similarity NPD6534 Approved
0.7119 Intermediate Similarity NPD6535 Approved
0.7118 Intermediate Similarity NPD6797 Phase 2
0.7114 Intermediate Similarity NPD6663 Approved
0.7105 Intermediate Similarity NPD4308 Phase 3
0.7097 Intermediate Similarity NPD8166 Discontinued
0.7088 Intermediate Similarity NPD7435 Discontinued
0.7076 Intermediate Similarity NPD7251 Discontinued
0.7075 Intermediate Similarity NPD9494 Approved
0.7075 Intermediate Similarity NPD5736 Approved
0.707 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.7067 Intermediate Similarity NPD2979 Phase 3
0.7059 Intermediate Similarity NPD4477 Approved
0.7059 Intermediate Similarity NPD6099 Approved
0.7059 Intermediate Similarity NPD2438 Suspended
0.7059 Intermediate Similarity NPD6100 Approved
0.7059 Intermediate Similarity NPD4476 Approved
0.7055 Intermediate Similarity NPD2797 Approved
0.7049 Intermediate Similarity NPD8319 Approved
0.7049 Intermediate Similarity NPD8320 Phase 1
0.7041 Intermediate Similarity NPD7893 Clinical (unspecified phase)
0.7035 Intermediate Similarity NPD7808 Phase 3
0.702 Intermediate Similarity NPD1933 Approved
0.702 Intermediate Similarity NPD5123 Clinical (unspecified phase)
0.702 Intermediate Similarity NPD5124 Phase 1
0.7018 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.7017 Intermediate Similarity NPD6778 Approved
0.7017 Intermediate Similarity NPD6776 Approved
0.7017 Intermediate Similarity NPD6780 Approved
0.7017 Intermediate Similarity NPD6782 Approved
0.7017 Intermediate Similarity NPD6777 Approved
0.7017 Intermediate Similarity NPD6779 Approved
0.7017 Intermediate Similarity NPD6781 Approved
0.7013 Intermediate Similarity NPD6006 Clinical (unspecified phase)
0.7013 Intermediate Similarity NPD6004 Phase 3
0.7013 Intermediate Similarity NPD6003 Clinical (unspecified phase)
0.7013 Intermediate Similarity NPD6005 Phase 3
0.7013 Intermediate Similarity NPD6002 Phase 3
0.7013 Intermediate Similarity NPD2343 Clinical (unspecified phase)
0.7007 Intermediate Similarity NPD2181 Clinical (unspecified phase)
0.7007 Intermediate Similarity NPD6007 Clinical (unspecified phase)
0.7006 Intermediate Similarity NPD7229 Phase 3
0.7 Intermediate Similarity NPD7699 Phase 2
0.7 Intermediate Similarity NPD7700 Phase 2
0.6993 Remote Similarity NPD1778 Approved
0.6986 Remote Similarity NPD3225 Approved
0.698 Remote Similarity NPD5952 Clinical (unspecified phase)
0.6966 Remote Similarity NPD6213 Phase 3
0.6966 Remote Similarity NPD6212 Phase 3
0.6966 Remote Similarity NPD6214 Clinical (unspecified phase)
0.6951 Remote Similarity NPD4288 Approved
0.6941 Remote Similarity NPD3751 Discontinued
0.6939 Remote Similarity NPD3266 Approved
0.6939 Remote Similarity NPD3267 Approved
0.6937 Remote Similarity NPD6980 Clinical (unspecified phase)
0.6936 Remote Similarity NPD4419 Clinical (unspecified phase)
0.6933 Remote Similarity NPD4907 Clinical (unspecified phase)
0.6933 Remote Similarity NPD37 Approved

Structure

External Identifiers

PubChem CID   486250
ChEMBL   CHEMBL61673
ZINC  

Physicochemical Properties

Molecular Weight:  222.05
ALogP:  -0.7279
MLogP:  2.12
XLogP:  1.479
# Rotatable Bonds:  4
Polar Surface Area:  83.83
# H-Bond Aceptor:  4
# H-Bond Donor:  2
# Rings:  2
# Heavy Atoms:  16

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
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