Natural Product: NPC14203

Natural Product ID:  NPC14203
Common Name:   15-Acetoxyisocupressic Acid
IUPAC Name:   (1S,4aR,5S,8aR)-5-[(E)-5-acetyloxy-3-methylpent-3-enyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid
Synonyms:   15-Acetoxyisocupressic Acid
Molecular Formula:   C22H34O4
Standard InCHIKey:  HSANNLXBHKRHSH-LMUCYUMOSA-N
Standard InCHI:  InChI=1S/C22H34O4/c1-15(11-14-26-17(3)23)7-9-18-16(2)8-10-19-21(18,4)12-6-13-22(19,5)20(24)25/h11,18-19H,2,6-10,12-14H2,1,3-5H3,(H,24,25)/b15-11+/t18-,19+,21+,22-/m0/s1
Canonical SMILES:  C/C(=CCOC(=O)C)/CC[C@H]1C(=C)CC[C@@H]2[C@]1(C)CCC[C@]2(C)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
NPO6289 Ceropegia dichotoma Species Apocynaceae Eukaryota UNPD*
NPO3873 Crotalaria candicans Species Fabaceae Eukaryota UNPD*
NPO1815 Breonia chinensis Species Rubiaceae Eukaryota UNPD*
NPO1257 Distephanus angulifolius Species Asteraceae Eukaryota UNPD*
NPO10605 Tristania conferta Species Myrtaceae Eukaryota UNPD*
NPO22691 Mentha cardiaca Species Lamiaceae Eukaryota UNPD*
NPO12565 Hypericum polyanthemum Species Hypericaceae Eukaryota UNPD*
NPO21720 Talaromyces variabilis Species Trichocomaceae Eukaryota UNPD*
NPO10638 Plectranthus myrianthus Species Lamiaceae Eukaryota UNPD*
NPO11576 Glycosmis macrophylla Species Rutaceae Eukaryota UNPD*
NPO11843 Stephania zippeliana Species Menispermaceae Eukaryota UNPD*
NPO11190 Veronica polita Species Plantaginaceae Eukaryota UNPD*
NPO13135 Campylotropis hirtella Species Fabaceae Eukaryota UNPD*
NPO6731 Ononis spinosa Species Fabaceae Eukaryota UNPD*
NPO12796 Periploca sepium Species Apocynaceae Eukaryota UNPD*
NPO526 Salvia sessei Species Lamiaceae Eukaryota UNPD*
NPO5043 Eria japonica Species Orchidaceae Eukaryota UNPD*
NPO12205 Eucalyptus apodophylla Species Myrtaceae Eukaryota UNPD*
NPO5456 Juniperus drupacea Species Cupressaceae Eukaryota UNPD*
NPO7773 Crinum moorei Species Amaryllidaceae Eukaryota UNPD*
NPO23384 Rhodiola semenovii Species Crassulaceae Eukaryota UNPD*
NPO7822.1 Eucalyptus globulus subsp. bicostata Subspecies Myrtaceae Eukaryota UNPD*
NPO10922 Pentaclethra macrophylla Species Fabaceae Eukaryota UNPD*
NPO865 Dendrobium loddigesii Species Orchidaceae Eukaryota UNPD*
NPO30782 Brazilian propolis NA NA NA Brazil PMID[9677271]
NPO8934 Gypsophila perfoliata Species Caryophyllaceae Eukaryota UNPD*
NPO9704 Sonneratia caseolaris Species Lythraceae Eukaryota UNPD*
NPO9532 Vernonia cistifolia Species Asteraceae Eukaryota UNPD*
NPO9319 Pterocaulon virgatum Species Asteraceae Eukaryota UNPD*
NPO12091 Martensia denticulata Species Delesseriaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT453 Cell Line HT-1080 Homo sapiens ED50 = 70.1 ug/ml 9677271
NPT2 Others Unspecified ED50 = 73.27 ug/ml 9677271

  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 NPC14203 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 NPC229584
0.9481 High Similarity NPC40228
0.925 High Similarity NPC65661
0.9091 High Similarity NPC239098
0.9036 High Similarity NPC174342
0.9012 High Similarity NPC106416
0.9012 High Similarity NPC86316
0.8974 High Similarity NPC327674
0.8875 High Similarity NPC200513
0.878 High Similarity NPC30984
0.875 High Similarity NPC327002
0.8721 High Similarity NPC169343
0.8718 High Similarity NPC61952
0.8706 High Similarity NPC51486
0.8706 High Similarity NPC198818
0.8706 High Similarity NPC477782
0.869 High Similarity NPC24816
0.8625 High Similarity NPC104545
0.8621 High Similarity NPC476415
0.8608 High Similarity NPC321514
0.8608 High Similarity NPC198240
0.8605 High Similarity NPC477783
0.8588 High Similarity NPC5509
0.8523 High Similarity NPC293052
0.8506 High Similarity NPC139692
0.8488 Intermediate Similarity NPC232202
0.8488 Intermediate Similarity NPC476369
0.8488 Intermediate Similarity NPC476437
0.8462 Intermediate Similarity NPC476844
0.8452 Intermediate Similarity NPC322159
0.8421 Intermediate Similarity NPC91369
0.8415 Intermediate Similarity NPC123880
0.8415 Intermediate Similarity NPC471159
0.8409 Intermediate Similarity NPC91010
0.84 Intermediate Similarity NPC36616
0.84 Intermediate Similarity NPC290445
0.8395 Intermediate Similarity NPC195424
0.8395 Intermediate Similarity NPC477057
0.8391 Intermediate Similarity NPC177037
0.8391 Intermediate Similarity NPC472814
0.8391 Intermediate Similarity NPC470113
0.8375 Intermediate Similarity NPC260385
0.8375 Intermediate Similarity NPC59436
0.8375 Intermediate Similarity NPC110094
0.8375 Intermediate Similarity NPC280654
0.8372 Intermediate Similarity NPC251528
0.8372 Intermediate Similarity NPC168131
0.8354 Intermediate Similarity NPC476601
0.8353 Intermediate Similarity NPC128644
0.8353 Intermediate Similarity NPC171722
0.8333 Intermediate Similarity NPC76333
0.8333 Intermediate Similarity NPC283908
0.8333 Intermediate Similarity NPC183503
0.8333 Intermediate Similarity NPC237591
0.8333 Intermediate Similarity NPC103958
0.8333 Intermediate Similarity NPC3753
0.8333 Intermediate Similarity NPC166797
0.8333 Intermediate Similarity NPC283733
0.8333 Intermediate Similarity NPC161923
0.8333 Intermediate Similarity NPC189311
0.8315 Intermediate Similarity NPC209355
0.8313 Intermediate Similarity NPC215893
0.8313 Intermediate Similarity NPC200752
0.8312 Intermediate Similarity NPC72343
0.8312 Intermediate Similarity NPC160817
0.8295 Intermediate Similarity NPC472303
0.8295 Intermediate Similarity NPC151722
0.8295 Intermediate Similarity NPC472871
0.8295 Intermediate Similarity NPC476416
0.8293 Intermediate Similarity NPC90055
0.8276 Intermediate Similarity NPC159748
0.8276 Intermediate Similarity NPC101651
0.8272 Intermediate Similarity NPC242767
0.8272 Intermediate Similarity NPC199595
0.8256 Intermediate Similarity NPC104560
0.8256 Intermediate Similarity NPC472870
0.825 Intermediate Similarity NPC471897
0.825 Intermediate Similarity NPC107039
0.825 Intermediate Similarity NPC471899
0.8242 Intermediate Similarity NPC98868
0.8235 Intermediate Similarity NPC325594
0.8235 Intermediate Similarity NPC220478
0.8235 Intermediate Similarity NPC324063
0.8235 Intermediate Similarity NPC73038
0.8235 Intermediate Similarity NPC329692
0.8235 Intermediate Similarity NPC472505
0.8228 Intermediate Similarity NPC279666
0.8228 Intermediate Similarity NPC192540
0.8222 Intermediate Similarity NPC134072
0.8222 Intermediate Similarity NPC242848
0.8222 Intermediate Similarity NPC29952
0.8222 Intermediate Similarity NPC234993
0.8214 Intermediate Similarity NPC19849
0.8214 Intermediate Similarity NPC194937
0.8214 Intermediate Similarity NPC476038
0.8214 Intermediate Similarity NPC472864
0.8214 Intermediate Similarity NPC156981
0.8182 Intermediate Similarity NPC289479
0.8182 Intermediate Similarity NPC303697
0.8171 Intermediate Similarity NPC469802
0.8171 Intermediate Similarity NPC37038
0.8161 Intermediate Similarity NPC474700
0.8161 Intermediate Similarity NPC281524
0.8161 Intermediate Similarity NPC66344
0.8161 Intermediate Similarity NPC474570
0.8161 Intermediate Similarity NPC284561
0.8152 Intermediate Similarity NPC471413
0.8152 Intermediate Similarity NPC477720
0.8148 Intermediate Similarity NPC179028
0.8148 Intermediate Similarity NPC4827
0.814 Intermediate Similarity NPC167877
0.814 Intermediate Similarity NPC231599
0.814 Intermediate Similarity NPC312561
0.8132 Intermediate Similarity NPC253826
0.8132 Intermediate Similarity NPC475709
0.8132 Intermediate Similarity NPC254496
0.8132 Intermediate Similarity NPC285513
0.8132 Intermediate Similarity NPC474343
0.8125 Intermediate Similarity NPC89294
0.8125 Intermediate Similarity NPC69143
0.8118 Intermediate Similarity NPC52628
0.8118 Intermediate Similarity NPC329738
0.8118 Intermediate Similarity NPC269638
0.8111 Intermediate Similarity NPC295347
0.8101 Intermediate Similarity NPC241854
0.8101 Intermediate Similarity NPC46610
0.8101 Intermediate Similarity NPC476046
0.8101 Intermediate Similarity NPC18819
0.8101 Intermediate Similarity NPC251970
0.8095 Intermediate Similarity NPC23748
0.8095 Intermediate Similarity NPC97913
0.8095 Intermediate Similarity NPC311070
0.8095 Intermediate Similarity NPC222358
0.8095 Intermediate Similarity NPC476927
0.8095 Intermediate Similarity NPC49208
0.8095 Intermediate Similarity NPC22611
0.809 Intermediate Similarity NPC115021
0.8072 Intermediate Similarity NPC221647
0.8072 Intermediate Similarity NPC170303
0.8072 Intermediate Similarity NPC278459
0.8068 Intermediate Similarity NPC281942
0.8068 Intermediate Similarity NPC120840
0.8068 Intermediate Similarity NPC472866
0.8068 Intermediate Similarity NPC113989
0.8068 Intermediate Similarity NPC474728
0.8068 Intermediate Similarity NPC232426
0.8068 Intermediate Similarity NPC471896
0.8065 Intermediate Similarity NPC303559
0.8065 Intermediate Similarity NPC471412
0.8065 Intermediate Similarity NPC93744
0.8065 Intermediate Similarity NPC63249
0.8065 Intermediate Similarity NPC476888
0.8049 Intermediate Similarity NPC476438
0.8049 Intermediate Similarity NPC263951
0.8049 Intermediate Similarity NPC158846
0.8049 Intermediate Similarity NPC16394
0.8049 Intermediate Similarity NPC192999
0.8049 Intermediate Similarity NPC231431
0.8046 Intermediate Similarity NPC472302
0.8046 Intermediate Similarity NPC477128
0.8046 Intermediate Similarity NPC226863
0.8043 Intermediate Similarity NPC316598
0.8043 Intermediate Similarity NPC57079
0.8043 Intermediate Similarity NPC108368
0.8025 Intermediate Similarity NPC316500
0.8025 Intermediate Similarity NPC165711
0.8023 Intermediate Similarity NPC186975
0.8023 Intermediate Similarity NPC185638
0.8023 Intermediate Similarity NPC476104
0.8023 Intermediate Similarity NPC202394
0.8023 Intermediate Similarity NPC82979
0.8023 Intermediate Similarity NPC473226
0.8023 Intermediate Similarity NPC472869
0.8023 Intermediate Similarity NPC131813
0.8 Intermediate Similarity NPC248758
0.8 Intermediate Similarity NPC165064
0.8 Intermediate Similarity NPC228978
0.8 Intermediate Similarity NPC164577
0.8 Intermediate Similarity NPC476795
0.8 Intermediate Similarity NPC102048
0.8 Intermediate Similarity NPC472865
0.8 Intermediate Similarity NPC149869
0.7979 Intermediate Similarity NPC155332
0.7979 Intermediate Similarity NPC32577
0.7979 Intermediate Similarity NPC114540
0.7979 Intermediate Similarity NPC476769
0.7979 Intermediate Similarity NPC476081
0.7979 Intermediate Similarity NPC134077
0.7979 Intermediate Similarity NPC40918
0.7979 Intermediate Similarity NPC476890
0.7979 Intermediate Similarity NPC162973
0.7978 Intermediate Similarity NPC285184
0.7978 Intermediate Similarity NPC165904
0.7978 Intermediate Similarity NPC141831
0.7978 Intermediate Similarity NPC476187
0.7978 Intermediate Similarity NPC470590
0.7978 Intermediate Similarity NPC77099
0.7978 Intermediate Similarity NPC473986
0.7978 Intermediate Similarity NPC60755
0.7978 Intermediate Similarity NPC179517

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC14203 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
0.8875 High Similarity NPD4752 Clinical (unspecified phase)
0.8 Intermediate Similarity NPD8039 Approved
0.7889 Intermediate Similarity NPD6399 Phase 3
0.7849 Intermediate Similarity NPD7638 Approved
0.7802 Intermediate Similarity NPD7748 Approved
0.7766 Intermediate Similarity NPD7640 Approved
0.7766 Intermediate Similarity NPD7639 Approved
0.764 Intermediate Similarity NPD5737 Approved
0.764 Intermediate Similarity NPD6672 Approved
0.7614 Intermediate Similarity NPD7146 Approved
0.7614 Intermediate Similarity NPD7334 Approved
0.7614 Intermediate Similarity NPD7521 Approved
0.7614 Intermediate Similarity NPD6684 Approved
0.7614 Intermediate Similarity NPD6409 Approved
0.7614 Intermediate Similarity NPD5330 Approved
0.7582 Intermediate Similarity NPD7515 Phase 2
0.7576 Intermediate Similarity NPD6686 Approved
0.7553 Intermediate Similarity NPD6084 Phase 2
0.7553 Intermediate Similarity NPD6083 Phase 2
0.7553 Intermediate Similarity NPD7902 Approved
0.7474 Intermediate Similarity NPD4225 Approved
0.7444 Intermediate Similarity NPD7513 Clinical (unspecified phase)
0.7444 Intermediate Similarity NPD6903 Approved
0.7391 Intermediate Similarity NPD5693 Phase 1
0.7391 Intermediate Similarity NPD6411 Approved
0.7386 Intermediate Similarity NPD4786 Approved
0.7363 Intermediate Similarity NPD6051 Approved
0.7356 Intermediate Similarity NPD3667 Approved
0.734 Intermediate Similarity NPD5695 Phase 3
0.7326 Intermediate Similarity NPD4695 Discontinued
0.7312 Intermediate Similarity NPD5779 Approved
0.7312 Intermediate Similarity NPD5778 Approved
0.7303 Intermediate Similarity NPD1694 Approved
0.7294 Intermediate Similarity NPD5784 Clinical (unspecified phase)
0.7292 Intermediate Similarity NPD5696 Approved
0.7234 Intermediate Similarity NPD7900 Approved
0.7234 Intermediate Similarity NPD7901 Clinical (unspecified phase)
0.7222 Intermediate Similarity NPD6098 Approved
0.7204 Intermediate Similarity NPD7637 Suspended
0.7204 Intermediate Similarity NPD8035 Phase 2
0.7204 Intermediate Similarity NPD8034 Phase 2
0.7191 Intermediate Similarity NPD3133 Approved
0.7191 Intermediate Similarity NPD3666 Approved
0.7191 Intermediate Similarity NPD3665 Phase 1
0.7174 Intermediate Similarity NPD5764 Clinical (unspecified phase)
0.7174 Intermediate Similarity NPD7285 Clinical (unspecified phase)
0.7174 Intermediate Similarity NPD6101 Approved
0.7174 Intermediate Similarity NPD6904 Approved
0.7174 Intermediate Similarity NPD6673 Approved
0.7174 Intermediate Similarity NPD6080 Approved
0.7111 Intermediate Similarity NPD7520 Clinical (unspecified phase)
0.7097 Intermediate Similarity NPD46 Approved
0.7097 Intermediate Similarity NPD6698 Approved
0.7097 Intermediate Similarity NPD5785 Approved
0.7079 Intermediate Similarity NPD7154 Phase 3
0.7079 Intermediate Similarity NPD5362 Discontinued
0.7071 Intermediate Similarity NPD7632 Discontinued
0.7033 Intermediate Similarity NPD3618 Phase 1
0.7033 Intermediate Similarity NPD4623 Approved
0.7033 Intermediate Similarity NPD4519 Discontinued
0.703 Intermediate Similarity NPD6402 Approved
0.703 Intermediate Similarity NPD5739 Approved
0.703 Intermediate Similarity NPD6675 Approved
0.703 Intermediate Similarity NPD7128 Approved
0.7009 Intermediate Similarity NPD7115 Discovery
0.7 Intermediate Similarity NPD3668 Phase 3
0.6989 Remote Similarity NPD4753 Phase 2
0.6989 Remote Similarity NPD5328 Approved
0.6979 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6966 Remote Similarity NPD4223 Phase 3
0.6966 Remote Similarity NPD4221 Approved
0.6962 Remote Similarity NPD5325 Clinical (unspecified phase)
0.6957 Remote Similarity NPD3573 Approved
0.6923 Remote Similarity NPD5329 Approved
0.6923 Remote Similarity NPD6082 Clinical (unspecified phase)
0.6893 Remote Similarity NPD6899 Approved
0.6893 Remote Similarity NPD7320 Approved
0.6893 Remote Similarity NPD6881 Approved
0.6882 Remote Similarity NPD5208 Approved
0.6848 Remote Similarity NPD5279 Phase 3
0.6842 Remote Similarity NPD5284 Approved
0.6842 Remote Similarity NPD6050 Approved
0.6842 Remote Similarity NPD6079 Approved
0.6842 Remote Similarity NPD5281 Approved
0.6827 Remote Similarity NPD6373 Approved
0.6827 Remote Similarity NPD4061 Clinical (unspecified phase)
0.6827 Remote Similarity NPD6372 Approved
0.6813 Remote Similarity NPD4197 Approved
0.6813 Remote Similarity NPD6400 Clinical (unspecified phase)
0.6804 Remote Similarity NPD1698 Clinical (unspecified phase)
0.6796 Remote Similarity NPD5701 Approved
0.6796 Remote Similarity NPD5697 Approved
0.6778 Remote Similarity NPD4270 Approved
0.6778 Remote Similarity NPD4269 Approved
0.6778 Remote Similarity NPD6435 Approved
0.6762 Remote Similarity NPD7102 Approved
0.6762 Remote Similarity NPD5955 Clinical (unspecified phase)
0.6762 Remote Similarity NPD7290 Approved
0.6762 Remote Similarity NPD6883 Approved
0.6742 Remote Similarity NPD5790 Clinical (unspecified phase)
0.6737 Remote Similarity NPD5692 Phase 3
0.6735 Remote Similarity NPD7614 Phase 1
0.6731 Remote Similarity NPD6011 Approved
0.6705 Remote Similarity NPD3617 Approved
0.6703 Remote Similarity NPD4788 Approved
0.6703 Remote Similarity NPD6695 Phase 3
0.67 Remote Similarity NPD6404 Discontinued
0.6698 Remote Similarity NPD6847 Approved
0.6698 Remote Similarity NPD6650 Approved
0.6698 Remote Similarity NPD6617 Approved
0.6698 Remote Similarity NPD6869 Approved
0.6698 Remote Similarity NPD6649 Approved
0.6698 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6698 Remote Similarity NPD8130 Phase 1
0.6667 Remote Similarity NPD4690 Approved
0.6667 Remote Similarity NPD5786 Approved
0.6667 Remote Similarity NPD4689 Approved
0.6667 Remote Similarity NPD5205 Approved
0.6667 Remote Similarity NPD6422 Discontinued
0.6667 Remote Similarity NPD6012 Approved
0.6667 Remote Similarity NPD6014 Approved
0.6667 Remote Similarity NPD4138 Approved
0.6667 Remote Similarity NPD5694 Approved
0.6667 Remote Similarity NPD4688 Approved
0.6667 Remote Similarity NPD6013 Approved
0.6667 Remote Similarity NPD5369 Approved
0.6667 Remote Similarity NPD4693 Phase 3
0.6667 Remote Similarity NPD3574 Clinical (unspecified phase)
0.6636 Remote Similarity NPD6053 Discontinued
0.6636 Remote Similarity NPD6882 Approved
0.6636 Remote Similarity NPD8297 Approved
0.6635 Remote Similarity NPD6412 Phase 2
0.6633 Remote Similarity NPD4629 Approved
0.6633 Remote Similarity NPD5210 Approved
0.663 Remote Similarity NPD7338 Clinical (unspecified phase)
0.6629 Remote Similarity NPD7645 Phase 2
0.6628 Remote Similarity NPD6924 Approved
0.6628 Remote Similarity NPD6926 Approved
0.6598 Remote Similarity NPD4202 Approved
0.6593 Remote Similarity NPD5209 Approved
0.6571 Remote Similarity NPD5345 Clinical (unspecified phase)
0.6566 Remote Similarity NPD5220 Clinical (unspecified phase)
0.6566 Remote Similarity NPD4697 Phase 3
0.6566 Remote Similarity NPD5221 Approved
0.6566 Remote Similarity NPD5222 Approved
0.6566 Remote Similarity NPD7732 Phase 3
0.6562 Remote Similarity NPD5207 Approved
0.6559 Remote Similarity NPD5363 Approved
0.6556 Remote Similarity NPD4821 Approved
0.6556 Remote Similarity NPD4252 Approved
0.6556 Remote Similarity NPD4819 Approved
0.6556 Remote Similarity NPD4822 Approved
0.6556 Remote Similarity NPD7525 Registered
0.6556 Remote Similarity NPD4820 Approved
0.6556 Remote Similarity NPD5368 Approved
0.6552 Remote Similarity NPD6942 Approved
0.6552 Remote Similarity NPD7339 Approved
0.6552 Remote Similarity NPD3702 Approved
0.6531 Remote Similarity NPD6001 Approved
0.6522 Remote Similarity NPD5332 Approved
0.6522 Remote Similarity NPD7507 Approved
0.6522 Remote Similarity NPD5331 Approved
0.6517 Remote Similarity NPD4268 Approved
0.6517 Remote Similarity NPD4271 Approved
0.65 Remote Similarity NPD4755 Approved
0.65 Remote Similarity NPD5173 Approved
0.6495 Remote Similarity NPD7983 Approved
0.6489 Remote Similarity NPD5280 Approved
0.6489 Remote Similarity NPD5690 Phase 2
0.6489 Remote Similarity NPD4694 Approved
0.6484 Remote Similarity NPD4790 Discontinued
0.6477 Remote Similarity NPD3701 Clinical (unspecified phase)
0.6477 Remote Similarity NPD6117 Approved
0.6477 Remote Similarity NPD6933 Approved
0.6476 Remote Similarity NPD5954 Clinical (unspecified phase)
0.6463 Remote Similarity NPD2685 Clinical (unspecified phase)
0.6455 Remote Similarity NPD6868 Approved
0.6449 Remote Similarity NPD6371 Approved
0.6447 Remote Similarity NPD4266 Approved
0.6447 Remote Similarity NPD3194 Approved
0.6447 Remote Similarity NPD3195 Phase 2
0.6447 Remote Similarity NPD3196 Approved
0.6444 Remote Similarity NPD6929 Approved
0.6437 Remote Similarity NPD6113 Clinical (unspecified phase)
0.6422 Remote Similarity NPD8133 Approved
0.6421 Remote Similarity NPD7750 Discontinued
0.6421 Remote Similarity NPD7524 Approved
0.6408 Remote Similarity NPD5211 Phase 2
0.6404 Remote Similarity NPD6116 Phase 1
0.64 Remote Similarity NPD5349 Clinical (unspecified phase)
0.64 Remote Similarity NPD7839 Suspended
0.6395 Remote Similarity NPD6081 Approved
0.6395 Remote Similarity NPD5777 Approved
0.6395 Remote Similarity NPD4243 Approved
0.6392 Remote Similarity NPD7838 Discovery
0.6386 Remote Similarity NPD7331 Phase 2
0.6386 Remote Similarity NPD4224 Phase 2
0.6381 Remote Similarity NPD6008 Approved
0.6374 Remote Similarity NPD6930 Phase 2
0.6374 Remote Similarity NPD6931 Approved

Structure

External Identifiers

PubChem CID   14287147
ChEMBL   CHEMBL457161
ZINC  

Physicochemical Properties

Molecular Weight:  362.25
ALogP:  1.8721
MLogP:  3.44
XLogP:  5.546
# Rotatable Bonds:  12
Polar Surface Area:  63.6
# H-Bond Aceptor:  4
# H-Bond Donor:  1
# Rings:  2
# Heavy Atoms:  26

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
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