Natural Product: NPC52692

Natural Product ID:  NPC52692
Common Name:   Taxusabietane A
IUPAC Name:   (4aS,10aR)-5-hydroxy-6-methoxy-1,1,4a-trimethyl-7-propan-2-yl-3,4,10,10a-tetrahydrophenanthrene-2,9-dione
Synonyms:  
Molecular Formula:   C21H28O4
Standard InCHIKey:  YUGJHEXCGCZVTH-BTYIYWSLSA-N
Standard InCHI:  InChI=1S/C21H28O4/c1-11(2)12-9-13-14(22)10-15-20(3,4)16(23)7-8-21(15,5)17(13)18(24)19(12)25-6/h9,11,15,24H,7-8,10H2,1-6H3/t15-,21-/m0/s1
Canonical SMILES:  COc1c(O)c2c(cc1C(C)C)C(=O)C[C@@H]1[C@]2(C)CCC(=O)C1(C)C
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
NPO23994 Ormosia macrophylla Species Limoniidae Eukaryota UNPD*
NPO22283 Alhagi maurorum Species Fabaceae Eukaryota UNPD*
NPO25389 Allium angulosum Species Amaryllidaceae Eukaryota UNPD*
NPO24852 Helicia nilagirica Species Proteaceae Eukaryota UNPD*
NPO24802 Diploprion bifasciatum Species Serranidae Eukaryota UNPD*
NPO3721 Achyranthes obtusifolia Species Amaranthaceae Eukaryota UNPD*
NPO24882 Erythrophleum chlorostachys Species Fabaceae Eukaryota UNPD*
NPO25466 Lecanora sulphurella Species Lecanoraceae Eukaryota UNPD*
NPO27746 Taxus mairei Species Taxaceae Eukaryota UNPD*
NPO15482 Vanderbylia fraxinea Species Polyporaceae Eukaryota UNPD*
NPO23788 Beauveria bassiana Species Cordycipitaceae Eukaryota UNPD*
NPO23894 Pulicaria insignis Species Asteraceae Eukaryota UNPD*
NPO24373 Lobelia inflata Species Campanulaceae Eukaryota UNPD*
NPO14189 Osmundaria spiralis Species Rhodomelaceae Eukaryota UNPD*
NPO28460 Achyrocline tomentosa Species Asteraceae Eukaryota UNPD*
NPO24278 Pistacia chinensis Species Anacardiaceae Eukaryota UNPD*
NPO27390 Vernonia brevifolia Species Asteraceae Eukaryota UNPD*
NPO25252 Nannocystis exedens Species Nannocystaceae Bacteria UNPD*
NPO25441 Desmodium pulchellu Species Fabaceae Eukaryota UNPD*
NPO22618 Psolus eximius Species Psolidae Eukaryota UNPD*
NPO25277 Seiridium cupressi Species Sporocadaceae Eukaryota UNPD*
NPO22152 Tecoma undulata Species Bignoniaceae Eukaryota UNPD*
NPO25366 Sapium indicum Species Euphorbiaceae Eukaryota UNPD*
NPO20264 Moonia heterophylla NA NA NA UNPD*
NPO25311 Guettarda platypoda Species Rubiaceae Eukaryota UNPD*
NPO24730 Lactarius deliciosus Species Russulaceae Eukaryota UNPD*
NPO25492 Botryllus leachi Species Styelidae Eukaryota UNPD*
NPO25054 Phaleria macrocarpa Species Thymelaeaceae Eukaryota UNPD*
NPO28466 Torreya nucifera Species Taxaceae Eukaryota UNPD*
NPO24607 Goniothalamus dolichocarpus Species Annonaceae Eukaryota UNPD*
NPO24566 Marasmiellus ramealis Species Omphalotaceae Eukaryota UNPD*
NPO18706 Anemone thalictroides Species Ranunculaceae Eukaryota UNPD*
NPO24461 Clusia sandiensis Species Clusiidae Eukaryota UNPD*
NPO6645.1 Picea jezoensis var. jezoensis Varieties Pinaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified IC50 = 57000 nM 10.1007/s00044-013-0559-7

  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 NPC52692 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
0.9786 High Similarity NPC309169
0.9786 High Similarity NPC196941
0.9306 High Similarity NPC225351
0.9231 High Similarity NPC229218
0.9231 High Similarity NPC192597
0.9231 High Similarity NPC141817
0.9231 High Similarity NPC176030
0.9231 High Similarity NPC169214
0.9097 High Similarity NPC11314
0.906 High Similarity NPC124842
0.9054 High Similarity NPC237441
0.9 High Similarity NPC164912
0.9 High Similarity NPC111845
0.898 High Similarity NPC58752
0.894 High Similarity NPC62051
0.8933 High Similarity NPC118427
0.8933 High Similarity NPC144283
0.8933 High Similarity NPC473201
0.8933 High Similarity NPC306011
0.8933 High Similarity NPC472838
0.8933 High Similarity NPC302783
0.8919 High Similarity NPC470757
0.8912 High Similarity NPC160777
0.8912 High Similarity NPC73416
0.8904 High Similarity NPC209085
0.8904 High Similarity NPC224884
0.8865 High Similarity NPC138472
0.8851 High Similarity NPC39361
0.8828 High Similarity NPC471853
0.8824 High Similarity NPC213401
0.8816 High Similarity NPC305710
0.8792 High Similarity NPC58373
0.8776 High Similarity NPC50954
0.8774 High Similarity NPC21046
0.8766 High Similarity NPC37543
0.8766 High Similarity NPC199463
0.8742 High Similarity NPC295977
0.8742 High Similarity NPC58310
0.8741 High Similarity NPC88065
0.8741 High Similarity NPC89504
0.8741 High Similarity NPC153088
0.8741 High Similarity NPC95485
0.8723 High Similarity NPC164295
0.8716 High Similarity NPC91694
0.8716 High Similarity NPC300603
0.8707 High Similarity NPC248068
0.8701 High Similarity NPC14561
0.8701 High Similarity NPC77807
0.8701 High Similarity NPC5379
0.869 High Similarity NPC230811
0.8684 High Similarity NPC75377
0.8684 High Similarity NPC78505
0.8681 High Similarity NPC471670
0.8675 High Similarity NPC303989
0.8658 High Similarity NPC75295
0.8654 High Similarity NPC185617
0.8645 High Similarity NPC167098
0.8645 High Similarity NPC178976
0.8645 High Similarity NPC296044
0.8639 High Similarity NPC84273
0.8627 High Similarity NPC161778
0.8616 High Similarity NPC263212
0.8611 High Similarity NPC252343
0.8609 High Similarity NPC471852
0.8592 High Similarity NPC239134
0.8581 High Similarity NPC279605
0.8581 High Similarity NPC288353
0.8571 High Similarity NPC107109
0.8571 High Similarity NPC273248
0.8553 High Similarity NPC472837
0.8553 High Similarity NPC261322
0.8535 High Similarity NPC84571
0.8533 High Similarity NPC258856
0.8523 High Similarity NPC163948
0.8511 High Similarity NPC201069
0.8506 High Similarity NPC3744
0.8506 High Similarity NPC137125
0.8506 High Similarity NPC149889
0.8506 High Similarity NPC312338
0.8503 High Similarity NPC223336
0.8493 Intermediate Similarity NPC475957
0.8493 Intermediate Similarity NPC277559
0.8493 Intermediate Similarity NPC49911
0.8481 Intermediate Similarity NPC311740
0.8476 Intermediate Similarity NPC475054
0.8472 Intermediate Similarity NPC477139
0.8471 Intermediate Similarity NPC104876
0.8471 Intermediate Similarity NPC245891
0.8467 Intermediate Similarity NPC275278
0.8467 Intermediate Similarity NPC472836
0.8462 Intermediate Similarity NPC291001
0.8456 Intermediate Similarity NPC184935
0.8452 Intermediate Similarity NPC93552
0.8452 Intermediate Similarity NPC127172
0.8446 Intermediate Similarity NPC78987
0.8446 Intermediate Similarity NPC82336
0.8446 Intermediate Similarity NPC476534
0.8442 Intermediate Similarity NPC70320
0.8442 Intermediate Similarity NPC272566
0.844 Intermediate Similarity NPC69424
0.844 Intermediate Similarity NPC78364
0.844 Intermediate Similarity NPC84672
0.844 Intermediate Similarity NPC176130
0.8438 Intermediate Similarity NPC26386
0.8435 Intermediate Similarity NPC471974
0.8435 Intermediate Similarity NPC469681
0.8435 Intermediate Similarity NPC469680
0.8431 Intermediate Similarity NPC142654
0.8421 Intermediate Similarity NPC77598
0.8414 Intermediate Similarity NPC202225
0.8411 Intermediate Similarity NPC157133
0.84 Intermediate Similarity NPC46880
0.84 Intermediate Similarity NPC239608
0.84 Intermediate Similarity NPC53016
0.84 Intermediate Similarity NPC46161
0.8397 Intermediate Similarity NPC234485
0.8397 Intermediate Similarity NPC472048
0.8392 Intermediate Similarity NPC66905
0.8392 Intermediate Similarity NPC108129
0.8377 Intermediate Similarity NPC475718
0.8377 Intermediate Similarity NPC472279
0.8377 Intermediate Similarity NPC225854
0.8377 Intermediate Similarity NPC31132
0.8375 Intermediate Similarity NPC101769
0.8369 Intermediate Similarity NPC474737
0.8366 Intermediate Similarity NPC475848
0.8366 Intermediate Similarity NPC474306
0.8366 Intermediate Similarity NPC46549
0.8366 Intermediate Similarity NPC264229
0.8365 Intermediate Similarity NPC472906
0.8356 Intermediate Similarity NPC22644
0.8356 Intermediate Similarity NPC258502
0.8355 Intermediate Similarity NPC191899
0.8355 Intermediate Similarity NPC246229
0.8354 Intermediate Similarity NPC235448
0.8344 Intermediate Similarity NPC260152
0.8344 Intermediate Similarity NPC105213
0.8344 Intermediate Similarity NPC207732
0.8333 Intermediate Similarity NPC471851
0.8333 Intermediate Similarity NPC201297
0.8333 Intermediate Similarity NPC137920
0.8333 Intermediate Similarity NPC125134
0.8333 Intermediate Similarity NPC86455
0.8322 Intermediate Similarity NPC470035
0.8313 Intermediate Similarity NPC149389
0.8313 Intermediate Similarity NPC470694
0.8312 Intermediate Similarity NPC134293
0.8312 Intermediate Similarity NPC474305
0.8312 Intermediate Similarity NPC37220
0.8311 Intermediate Similarity NPC149773
0.8311 Intermediate Similarity NPC245760
0.8311 Intermediate Similarity NPC23667
0.8311 Intermediate Similarity NPC473779
0.8311 Intermediate Similarity NPC91887
0.8311 Intermediate Similarity NPC46242
0.8311 Intermediate Similarity NPC50615
0.8311 Intermediate Similarity NPC114333
0.8311 Intermediate Similarity NPC28592
0.8311 Intermediate Similarity NPC473479
0.8311 Intermediate Similarity NPC5014
0.8311 Intermediate Similarity NPC165191
0.8311 Intermediate Similarity NPC469857
0.8311 Intermediate Similarity NPC297797
0.8311 Intermediate Similarity NPC289358
0.8311 Intermediate Similarity NPC477849
0.8311 Intermediate Similarity NPC51531
0.8311 Intermediate Similarity NPC157284
0.8311 Intermediate Similarity NPC42384
0.831 Intermediate Similarity NPC16651
0.831 Intermediate Similarity NPC72667
0.831 Intermediate Similarity NPC32163
0.8302 Intermediate Similarity NPC141574
0.8302 Intermediate Similarity NPC155302
0.8302 Intermediate Similarity NPC161947
0.8301 Intermediate Similarity NPC478018
0.8291 Intermediate Similarity NPC179732
0.8291 Intermediate Similarity NPC202495
0.8291 Intermediate Similarity NPC304008
0.8291 Intermediate Similarity NPC180011
0.8291 Intermediate Similarity NPC219867
0.8291 Intermediate Similarity NPC143328
0.8291 Intermediate Similarity NPC187745
0.8291 Intermediate Similarity NPC161960
0.8289 Intermediate Similarity NPC478019
0.8289 Intermediate Similarity NPC470038
0.8288 Intermediate Similarity NPC293454
0.828 Intermediate Similarity NPC38898
0.8276 Intermediate Similarity NPC183103
0.8274 Intermediate Similarity NPC240508
0.8269 Intermediate Similarity NPC131121
0.8269 Intermediate Similarity NPC180944
0.8269 Intermediate Similarity NPC474993
0.8269 Intermediate Similarity NPC180388
0.8267 Intermediate Similarity NPC472410
0.8261 Intermediate Similarity NPC236132
0.8261 Intermediate Similarity NPC220313
0.8261 Intermediate Similarity NPC270837
0.8258 Intermediate Similarity NPC475311
0.8258 Intermediate Similarity NPC475454
0.8258 Intermediate Similarity NPC473579

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC52692 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
0.816 Intermediate Similarity NPD7473 Discontinued
0.8086 Intermediate Similarity NPD6232 Discontinued
0.8077 Intermediate Similarity NPD7458 Discontinued
0.8026 Intermediate Similarity NPD7003 Approved
0.7931 Intermediate Similarity NPD9494 Approved
0.7821 Intermediate Similarity NPD7422 Clinical (unspecified phase)
0.7792 Intermediate Similarity NPD8166 Discontinued
0.7785 Intermediate Similarity NPD3620 Phase 2
0.7785 Intermediate Similarity NPD3619 Clinical (unspecified phase)
0.7778 Intermediate Similarity NPD4379 Clinical (unspecified phase)
0.7764 Intermediate Similarity NPD2801 Approved
0.7764 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.7738 Intermediate Similarity NPD5844 Phase 1
0.7736 Intermediate Similarity NPD3226 Approved
0.7727 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.7712 Intermediate Similarity NPD2346 Discontinued
0.7708 Intermediate Similarity NPD3972 Approved
0.7702 Intermediate Similarity NPD1934 Approved
0.7701 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.7677 Intermediate Similarity NPD4628 Phase 3
0.7669 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.7669 Intermediate Similarity NPD3882 Suspended
0.7616 Intermediate Similarity NPD3534 Clinical (unspecified phase)
0.7582 Intermediate Similarity NPD1509 Clinical (unspecified phase)
0.7546 Intermediate Similarity NPD1465 Phase 2
0.7532 Intermediate Similarity NPD2935 Discontinued
0.7484 Intermediate Similarity NPD2532 Approved
0.7484 Intermediate Similarity NPD2533 Approved
0.7484 Intermediate Similarity NPD2534 Approved
0.7483 Intermediate Similarity NPD1283 Approved
0.747 Intermediate Similarity NPD6234 Discontinued
0.7469 Intermediate Similarity NPD7028 Phase 2
0.7468 Intermediate Similarity NPD2799 Discontinued
0.7456 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.7456 Intermediate Similarity NPD6166 Phase 2
0.7456 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.7438 Intermediate Similarity NPD6273 Approved
0.7431 Intermediate Similarity NPD1651 Approved
0.7431 Intermediate Similarity NPD4196 Clinical (unspecified phase)
0.7429 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.7425 Intermediate Similarity NPD5494 Approved
0.7421 Intermediate Similarity NPD1511 Approved
0.7421 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.7419 Intermediate Similarity NPD6100 Approved
0.7419 Intermediate Similarity NPD6099 Approved
0.7407 Intermediate Similarity NPD5808 Clinical (unspecified phase)
0.7394 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.7381 Intermediate Similarity NPD6959 Discontinued
0.7379 Intermediate Similarity NPD4626 Approved
0.7379 Intermediate Similarity NPD3019 Approved
0.7378 Intermediate Similarity NPD37 Approved
0.7368 Intermediate Similarity NPD3818 Discontinued
0.7362 Intermediate Similarity NPD4380 Phase 2
0.7338 Intermediate Similarity NPD1607 Approved
0.7333 Intermediate Similarity NPD7819 Suspended
0.7329 Intermediate Similarity NPD1512 Approved
0.7325 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.732 Intermediate Similarity NPD4060 Phase 1
0.732 Intermediate Similarity NPD943 Approved
0.7315 Intermediate Similarity NPD1470 Approved
0.7292 Intermediate Similarity NPD5536 Phase 2
0.7289 Intermediate Similarity NPD5978 Approved
0.7289 Intermediate Similarity NPD5977 Approved
0.7284 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.7279 Intermediate Similarity NPD1281 Approved
0.7278 Intermediate Similarity NPD8127 Discontinued
0.7267 Intermediate Similarity NPD2798 Approved
0.7267 Intermediate Similarity NPD7410 Clinical (unspecified phase)
0.7267 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.7261 Intermediate Similarity NPD2344 Approved
0.726 Intermediate Similarity NPD3412 Clinical (unspecified phase)
0.726 Intermediate Similarity NPD2932 Approved
0.7256 Intermediate Similarity NPD6599 Discontinued
0.7248 Intermediate Similarity NPD1876 Approved
0.7246 Intermediate Similarity NPD4967 Phase 2
0.7246 Intermediate Similarity NPD4966 Approved
0.7246 Intermediate Similarity NPD4965 Approved
0.7244 Intermediate Similarity NPD1510 Phase 2
0.7241 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.7237 Intermediate Similarity NPD5952 Clinical (unspecified phase)
0.7233 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.7233 Intermediate Similarity NPD4109 Clinical (unspecified phase)
0.7233 Intermediate Similarity NPD4110 Phase 3
0.7226 Intermediate Similarity NPD6651 Approved
0.7212 Intermediate Similarity NPD7411 Suspended
0.7212 Intermediate Similarity NPD6873 Phase 2
0.7208 Intermediate Similarity NPD1240 Approved
0.7205 Intermediate Similarity NPD7390 Discontinued
0.7202 Intermediate Similarity NPD7075 Discontinued
0.7197 Intermediate Similarity NPD5408 Approved
0.7197 Intermediate Similarity NPD5404 Approved
0.7197 Intermediate Similarity NPD5406 Approved
0.7197 Intermediate Similarity NPD5405 Approved
0.719 Intermediate Similarity NPD2313 Discontinued
0.719 Intermediate Similarity NPD3268 Approved
0.7186 Intermediate Similarity NPD3817 Phase 2
0.7184 Intermediate Similarity NPD7074 Phase 3
0.7181 Intermediate Similarity NPD3600 Clinical (unspecified phase)
0.717 Intermediate Similarity NPD6674 Discontinued
0.717 Intermediate Similarity NPD2800 Approved
0.7168 Intermediate Similarity NPD7228 Approved
0.7162 Intermediate Similarity NPD1201 Approved
0.7161 Intermediate Similarity NPD447 Suspended
0.7161 Intermediate Similarity NPD230 Phase 1
0.7152 Intermediate Similarity NPD1471 Phase 3
0.7143 Intermediate Similarity NPD8032 Phase 2
0.7135 Intermediate Similarity NPD7501 Clinical (unspecified phase)
0.7134 Intermediate Similarity NPD651 Clinical (unspecified phase)
0.7133 Intermediate Similarity NPD5283 Phase 1
0.7127 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.7126 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.7126 Intermediate Similarity NPD7054 Approved
0.7125 Intermediate Similarity NPD3750 Approved
0.7119 Intermediate Similarity NPD8312 Approved
0.7119 Intermediate Similarity NPD8313 Approved
0.7115 Intermediate Similarity NPD4097 Suspended
0.7113 Intermediate Similarity NPD228 Approved
0.7097 Intermediate Similarity NPD2979 Phase 3
0.7089 Intermediate Similarity NPD2438 Suspended
0.7086 Intermediate Similarity NPD7472 Approved
0.7081 Intermediate Similarity NPD2309 Approved
0.7078 Intermediate Similarity NPD3764 Approved
0.7076 Intermediate Similarity NPD7199 Phase 2
0.7075 Intermediate Similarity NPD5691 Approved
0.7072 Intermediate Similarity NPD2490 Approved
0.7072 Intermediate Similarity NPD2488 Approved
0.7055 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.7052 Intermediate Similarity NPD7852 Clinical (unspecified phase)
0.7051 Intermediate Similarity NPD3657 Discovery
0.7044 Intermediate Similarity NPD2343 Clinical (unspecified phase)
0.7025 Intermediate Similarity NPD3299 Clinical (unspecified phase)
0.7013 Intermediate Similarity NPD7095 Approved
0.7006 Intermediate Similarity NPD7685 Pre-registration
0.7 Intermediate Similarity NPD8434 Phase 2
0.7 Intermediate Similarity NPD8150 Discontinued
0.7 Intermediate Similarity NPD1549 Phase 2
0.6994 Remote Similarity NPD7184 Clinical (unspecified phase)
0.6988 Remote Similarity NPD824 Approved
0.698 Remote Similarity NPD3026 Approved
0.698 Remote Similarity NPD3023 Approved
0.6977 Remote Similarity NPD1247 Approved
0.6975 Remote Similarity NPD6190 Approved
0.6971 Remote Similarity NPD7177 Discontinued
0.6968 Remote Similarity NPD6798 Discontinued
0.6966 Remote Similarity NPD5951 Approved
0.6966 Remote Similarity NPD4338 Clinical (unspecified phase)
0.6964 Remote Similarity NPD6801 Discontinued
0.6959 Remote Similarity NPD3025 Approved
0.6959 Remote Similarity NPD3024 Approved
0.6954 Remote Similarity NPD2898 Approved
0.6949 Remote Similarity NPD6797 Phase 2
0.6943 Remote Similarity NPD6355 Discontinued
0.6937 Remote Similarity NPD1552 Clinical (unspecified phase)
0.6937 Remote Similarity NPD1550 Clinical (unspecified phase)
0.6936 Remote Similarity NPD5710 Approved
0.6936 Remote Similarity NPD5711 Approved
0.6933 Remote Similarity NPD3300 Phase 2
0.6928 Remote Similarity NPD4624 Approved
0.6923 Remote Similarity NPD6663 Approved
0.6918 Remote Similarity NPD4308 Phase 3
0.691 Remote Similarity NPD6559 Discontinued
0.691 Remote Similarity NPD7251 Discontinued
0.6909 Remote Similarity NPD5049 Phase 3
0.6903 Remote Similarity NPD7008 Discontinued
0.6903 Remote Similarity NPD3027 Phase 3
0.6901 Remote Similarity NPD3749 Approved
0.6901 Remote Similarity NPD4381 Clinical (unspecified phase)
0.6897 Remote Similarity NPD3926 Phase 2
0.689 Remote Similarity NPD6799 Approved
0.6886 Remote Similarity NPD2651 Approved
0.6886 Remote Similarity NPD2649 Approved
0.6883 Remote Similarity NPD5736 Approved
0.6879 Remote Similarity NPD4140 Approved
0.6878 Remote Similarity NPD2491 Approved
0.6875 Remote Similarity NPD2796 Approved
0.6875 Remote Similarity NPD2531 Phase 2
0.6872 Remote Similarity NPD7808 Phase 3
0.6871 Remote Similarity NPD405 Clinical (unspecified phase)
0.6863 Remote Similarity NPD2797 Approved
0.6863 Remote Similarity NPD3266 Approved
0.6863 Remote Similarity NPD3267 Approved
0.6862 Remote Similarity NPD6776 Approved
0.6862 Remote Similarity NPD6782 Approved
0.6862 Remote Similarity NPD6780 Approved
0.6862 Remote Similarity NPD6778 Approved
0.6862 Remote Similarity NPD6777 Approved
0.6862 Remote Similarity NPD6781 Approved
0.6862 Remote Similarity NPD6779 Approved
0.6853 Remote Similarity NPD3022 Approved
0.6853 Remote Similarity NPD3021 Approved
0.6842 Remote Similarity NPD7768 Phase 2
0.6835 Remote Similarity NPD1933 Approved
0.6835 Remote Similarity NPD5735 Approved
0.6825 Remote Similarity NPD2493 Approved
0.6825 Remote Similarity NPD2494 Approved
0.6813 Remote Similarity NPD3748 Approved
0.6806 Remote Similarity NPD4582 Approved
0.6806 Remote Similarity NPD4583 Approved
0.6805 Remote Similarity NPD6386 Approved
0.6805 Remote Similarity NPD6385 Approved

Structure

External Identifiers

PubChem CID   76330776
ChEMBL   CHEMBL2282012
ZINC  

Physicochemical Properties

Molecular Weight:  344.20
ALogP:  0.7207
MLogP:  3.33
XLogP:  2.736
# Rotatable Bonds:  9
Polar Surface Area:  63.6
# H-Bond Aceptor:  2
# H-Bond Donor:  1
# Rings:  3
# Heavy Atoms:  25

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Biological Activities  
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