Natural Product: NPC280789

Natural Product ID:  NPC280789
Common Name:   Methyl 7-Oxodehydroabietate
IUPAC Name:   methyl (1R,4aS,10aR)-1,4a-dimethyl-9-oxo-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carboxylate
Synonyms:   Methyl 7-Oxo-Dehydroabietate; Methyl 7-Oxodehydroabietate
Molecular Formula:   C21H28O3
Standard InCHIKey:  URPBIQPJABGDJD-HMXCVIKNSA-N
Standard InCHI:  InChI=1S/C21H28O3/c1-13(2)14-7-8-16-15(11-14)17(22)12-18-20(16,3)9-6-10-21(18,4)19(23)24-5/h7-8,11,13,18H,6,9-10,12H2,1-5H3/t18-,20-,21-/m1/s1
Canonical SMILES:  COC(=O)[C@]1(C)CCC[C@]2([C@H]1CC(=O)c1c2ccc(c1)C(C)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
NPO14558 Aquilaria sinensis Species Thymelaeaceae Eukaryota TCMID*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT91 Cell Line KB Homo sapiens IC50 = 4.5 ug/ml 12444672
NPT79 Organism Bacillus subtilis Bacillus subtilis MIC = 31.2 ug/ml 20702006
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC = 31.2 ug/ml 20702006
NPT19 Organism Escherichia coli Escherichia coli MIC > 100 ug/ml 20702006
NPT1209 Organism Pseudomonas fluorescens Pseudomonas fluorescens MIC = 62.5 ug/ml 20702006
NPT329 Organism Trichophyton rubrum Trichophyton rubrum MIC > 100 ug/ml 20702006
NPT20 Organism Candida albicans Candida albicans MIC > 100 ug/ml 20702006
NPT21 Organism Aspergillus niger Aspergillus niger MIC > 100 ug/ml 20702006
NPT186 Organism Candida tropicalis Candida tropicalis MIC > 100 ug/ml 24300736
NPT20 Organism Candida albicans Candida albicans MIC > 100 ug/ml 24300736
NPT21 Organism Aspergillus niger Aspergillus niger MIC > 100 ug/ml 24300736
NPT19 Organism Escherichia coli Escherichia coli MIC > 100 ug/ml 24300736
NPT1209 Organism Pseudomonas fluorescens Pseudomonas fluorescens MIC = 62.5 ug/ml 24300736
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC = 31.2 ug/ml 24300736
NPT79 Organism Bacillus subtilis Bacillus subtilis MIC = 31.2 ug/ml 24300736

  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 NPC280789 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
0.9528 High Similarity NPC93287
0.9259 High Similarity NPC471721
0.9 High Similarity NPC215419
0.8981 High Similarity NPC265513
0.8938 High Similarity NPC202015
0.8932 High Similarity NPC221825
0.8879 High Similarity NPC85511
0.8738 High Similarity NPC226041
0.8707 High Similarity NPC167323
0.8707 High Similarity NPC269923
0.8667 High Similarity NPC109514
0.8641 High Similarity NPC185208
0.8641 High Similarity NPC219573
0.8571 High Similarity NPC326664
0.8558 High Similarity NPC239185
0.8491 Intermediate Similarity NPC133809
0.8491 Intermediate Similarity NPC136810
0.8491 Intermediate Similarity NPC128248
0.8491 Intermediate Similarity NPC476993
0.8482 Intermediate Similarity NPC470253
0.8476 Intermediate Similarity NPC134882
0.8455 Intermediate Similarity NPC470252
0.8403 Intermediate Similarity NPC328107
0.8381 Intermediate Similarity NPC265220
0.835 Intermediate Similarity NPC323420
0.8333 Intermediate Similarity NPC247976
0.8319 Intermediate Similarity NPC143768
0.8318 Intermediate Similarity NPC225079
0.8302 Intermediate Similarity NPC75724
0.8279 Intermediate Similarity NPC51448
0.8279 Intermediate Similarity NPC115797
0.8273 Intermediate Similarity NPC142326
0.8273 Intermediate Similarity NPC94751
0.8257 Intermediate Similarity NPC329282
0.8246 Intermediate Similarity NPC130591
0.8246 Intermediate Similarity NPC234637
0.819 Intermediate Similarity NPC158157
0.819 Intermediate Similarity NPC260233
0.8182 Intermediate Similarity NPC471186
0.8173 Intermediate Similarity NPC59677
0.8173 Intermediate Similarity NPC153885
0.8165 Intermediate Similarity NPC329556
0.8165 Intermediate Similarity NPC471829
0.8165 Intermediate Similarity NPC472691
0.8165 Intermediate Similarity NPC475939
0.8165 Intermediate Similarity NPC474866
0.8158 Intermediate Similarity NPC471481
0.8136 Intermediate Similarity NPC476645
0.8131 Intermediate Similarity NPC49994
0.812 Intermediate Similarity NPC222968
0.812 Intermediate Similarity NPC268930
0.812 Intermediate Similarity NPC80605
0.812 Intermediate Similarity NPC323440
0.8108 Intermediate Similarity NPC100767
0.8099 Intermediate Similarity NPC318067
0.8095 Intermediate Similarity NPC289883
0.8095 Intermediate Similarity NPC238219
0.8087 Intermediate Similarity NPC67377
0.8087 Intermediate Similarity NPC294458
0.8077 Intermediate Similarity NPC133461
0.807 Intermediate Similarity NPC218855
0.8058 Intermediate Similarity NPC298115
0.8051 Intermediate Similarity NPC472698
0.8051 Intermediate Similarity NPC472697
0.8034 Intermediate Similarity NPC469843
0.8017 Intermediate Similarity NPC221275
0.8 Intermediate Similarity NPC155232
0.8 Intermediate Similarity NPC476234
0.7982 Intermediate Similarity NPC95126
0.7982 Intermediate Similarity NPC475002
0.7966 Intermediate Similarity NPC61651
0.7966 Intermediate Similarity NPC228318
0.7951 Intermediate Similarity NPC51079
0.7949 Intermediate Similarity NPC260886
0.7946 Intermediate Similarity NPC472700
0.7946 Intermediate Similarity NPC37914
0.7946 Intermediate Similarity NPC85560
0.7946 Intermediate Similarity NPC244933
0.7946 Intermediate Similarity NPC472699
0.7917 Intermediate Similarity NPC77000
0.7917 Intermediate Similarity NPC238861
0.7917 Intermediate Similarity NPC472679
0.7917 Intermediate Similarity NPC472680
0.7913 Intermediate Similarity NPC66208
0.7913 Intermediate Similarity NPC292834
0.7903 Intermediate Similarity NPC48992
0.7899 Intermediate Similarity NPC318173
0.7886 Intermediate Similarity NPC472693
0.7886 Intermediate Similarity NPC472694
0.7876 Intermediate Similarity NPC203732
0.7876 Intermediate Similarity NPC472683
0.7876 Intermediate Similarity NPC472701
0.7876 Intermediate Similarity NPC472696
0.7876 Intermediate Similarity NPC21929
0.7876 Intermediate Similarity NPC472695
0.7863 Intermediate Similarity NPC476357
0.7863 Intermediate Similarity NPC186933
0.7863 Intermediate Similarity NPC474095
0.7863 Intermediate Similarity NPC217111
0.7851 Intermediate Similarity NPC472981
0.7833 Intermediate Similarity NPC204784
0.783 Intermediate Similarity NPC188844
0.783 Intermediate Similarity NPC1682
0.7826 Intermediate Similarity NPC137315
0.7826 Intermediate Similarity NPC210089
0.7818 Intermediate Similarity NPC472879
0.7815 Intermediate Similarity NPC45794
0.7815 Intermediate Similarity NPC152812
0.781 Intermediate Similarity NPC277277
0.781 Intermediate Similarity NPC173413
0.781 Intermediate Similarity NPC19256
0.7805 Intermediate Similarity NPC472681
0.7788 Intermediate Similarity NPC267262
0.7778 Intermediate Similarity NPC196673
0.7769 Intermediate Similarity NPC232958
0.7769 Intermediate Similarity NPC476225
0.7767 Intermediate Similarity NPC307
0.7767 Intermediate Similarity NPC160339
0.7759 Intermediate Similarity NPC186128
0.7759 Intermediate Similarity NPC471189
0.7759 Intermediate Similarity NPC471188
0.7742 Intermediate Similarity NPC295664
0.7736 Intermediate Similarity NPC284475
0.7736 Intermediate Similarity NPC125226
0.7731 Intermediate Similarity NPC212891
0.7719 Intermediate Similarity NPC470007
0.7719 Intermediate Similarity NPC112903
0.7712 Intermediate Similarity NPC228936
0.7705 Intermediate Similarity NPC144547
0.7699 Intermediate Similarity NPC172483
0.7698 Intermediate Similarity NPC478165
0.7698 Intermediate Similarity NPC478162
0.7692 Intermediate Similarity NPC128368
0.7692 Intermediate Similarity NPC69057
0.7685 Intermediate Similarity NPC472880
0.768 Intermediate Similarity NPC470765
0.7672 Intermediate Similarity NPC474057
0.7667 Intermediate Similarity NPC94425
0.7652 Intermediate Similarity NPC318327
0.7652 Intermediate Similarity NPC475006
0.7647 Intermediate Similarity NPC9274
0.7647 Intermediate Similarity NPC135730
0.7632 Intermediate Similarity NPC185763
0.7632 Intermediate Similarity NPC83409
0.7627 Intermediate Similarity NPC241851
0.7623 Intermediate Similarity NPC988
0.7623 Intermediate Similarity NPC289432
0.7623 Intermediate Similarity NPC234337
0.7623 Intermediate Similarity NPC183339
0.7623 Intermediate Similarity NPC133389
0.7623 Intermediate Similarity NPC473243
0.7619 Intermediate Similarity NPC470753
0.7619 Intermediate Similarity NPC470648
0.7619 Intermediate Similarity NPC157778
0.7619 Intermediate Similarity NPC473220
0.7607 Intermediate Similarity NPC79496
0.7559 Intermediate Similarity NPC472678
0.7559 Intermediate Similarity NPC316553
0.7547 Intermediate Similarity NPC418308
0.7544 Intermediate Similarity NPC134120
0.7542 Intermediate Similarity NPC469547
0.7542 Intermediate Similarity NPC13784
0.7542 Intermediate Similarity NPC477475
0.7542 Intermediate Similarity NPC477476
0.754 Intermediate Similarity NPC275576
0.7538 Intermediate Similarity NPC472656
0.7524 Intermediate Similarity NPC43945
0.7522 Intermediate Similarity NPC274443
0.7521 Intermediate Similarity NPC167504
0.752 Intermediate Similarity NPC325740
0.7519 Intermediate Similarity NPC472692
0.7519 Intermediate Similarity NPC472682
0.7519 Intermediate Similarity NPC471334
0.75 Intermediate Similarity NPC473325
0.75 Intermediate Similarity NPC369
0.75 Intermediate Similarity NPC192577
0.75 Intermediate Similarity NPC264728
0.75 Intermediate Similarity NPC293831
0.75 Intermediate Similarity NPC112552
0.7481 Intermediate Similarity NPC126516
0.7481 Intermediate Similarity NPC477139
0.7481 Intermediate Similarity NPC329913
0.748 Intermediate Similarity NPC169913
0.748 Intermediate Similarity NPC474106
0.748 Intermediate Similarity NPC473423
0.7479 Intermediate Similarity NPC196075
0.7477 Intermediate Similarity NPC145052
0.7477 Intermediate Similarity NPC179411
0.7462 Intermediate Similarity NPC164295
0.7456 Intermediate Similarity NPC472221
0.7456 Intermediate Similarity NPC472222
0.7453 Intermediate Similarity NPC153308
0.7444 Intermediate Similarity NPC472308
0.7442 Intermediate Similarity NPC471832
0.7442 Intermediate Similarity NPC147561
0.7438 Intermediate Similarity NPC105141
0.7438 Intermediate Similarity NPC242764
0.7434 Intermediate Similarity NPC222390
0.7434 Intermediate Similarity NPC25458
0.7434 Intermediate Similarity NPC304873

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC280789 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
0.8558 High Similarity NPD3495 Discontinued
0.8333 Intermediate Similarity NPD5951 Approved
0.8165 Intermediate Similarity NPD1931 Clinical (unspecified phase)
0.8165 Intermediate Similarity NPD1929 Approved
0.8165 Intermediate Similarity NPD1930 Approved
0.8158 Intermediate Similarity NPD6858 Approved
0.8158 Intermediate Similarity NPD7094 Approved
0.8056 Intermediate Similarity NPD2066 Phase 3
0.7982 Intermediate Similarity NPD4141 Clinical (unspecified phase)
0.7917 Intermediate Similarity NPD3412 Clinical (unspecified phase)
0.7917 Intermediate Similarity NPD7163 Clinical (unspecified phase)
0.7909 Intermediate Similarity NPD1932 Approved
0.783 Intermediate Similarity NPD7631 Approved
0.7815 Intermediate Similarity NPD7610 Discontinued
0.7807 Intermediate Similarity NPD2329 Discontinued
0.7736 Intermediate Similarity NPD7609 Phase 3
0.7717 Intermediate Similarity NPD5952 Clinical (unspecified phase)
0.7717 Intermediate Similarity NPD7008 Discontinued
0.7705 Intermediate Similarity NPD7457 Clinical (unspecified phase)
0.7615 Intermediate Similarity NPD1989 Approved
0.7603 Intermediate Similarity NPD7009 Phase 2
0.7597 Intermediate Similarity NPD7961 Discontinued
0.7593 Intermediate Similarity NPD5122 Clinical (unspecified phase)
0.7524 Intermediate Similarity NPD1087 Approved
0.7524 Intermediate Similarity NPD650 Approved
0.75 Intermediate Similarity NPD1088 Approved
0.75 Intermediate Similarity NPD6831 Clinical (unspecified phase)
0.7373 Intermediate Similarity NPD2181 Clinical (unspecified phase)
0.7364 Intermediate Similarity NPD688 Clinical (unspecified phase)
0.7364 Intermediate Similarity NPD1693 Approved
0.736 Intermediate Similarity NPD6287 Discontinued
0.7315 Intermediate Similarity NPD1090 Approved
0.7315 Intermediate Similarity NPD1086 Approved
0.7315 Intermediate Similarity NPD3672 Approved
0.7315 Intermediate Similarity NPD3673 Approved
0.7315 Intermediate Similarity NPD1089 Approved
0.7304 Intermediate Similarity NPD5909 Discontinued
0.7288 Intermediate Similarity NPD1317 Discontinued
0.7273 Intermediate Similarity NPD1563 Approved
0.7222 Intermediate Similarity NPD800 Approved
0.7213 Intermediate Similarity NPD3317 Approved
0.7207 Intermediate Similarity NPD6048 Clinical (unspecified phase)
0.7207 Intermediate Similarity NPD6049 Phase 2
0.7203 Intermediate Similarity NPD2182 Approved
0.7182 Intermediate Similarity NPD1508 Approved
0.7174 Intermediate Similarity NPD7003 Approved
0.7167 Intermediate Similarity NPD1609 Clinical (unspecified phase)
0.7155 Intermediate Similarity NPD164 Approved
0.7143 Intermediate Similarity NPD4879 Approved
0.7115 Intermediate Similarity NPD942 Approved
0.7105 Intermediate Similarity NPD7798 Approved
0.7091 Intermediate Similarity NPD1239 Approved
0.708 Intermediate Similarity NPD1564 Approved
0.708 Intermediate Similarity NPD1566 Phase 3
0.708 Intermediate Similarity NPD1565 Approved
0.7063 Intermediate Similarity NPD4199 Phase 3
0.7063 Intermediate Similarity NPD2345 Approved
0.7031 Intermediate Similarity NPD3972 Approved
0.6992 Remote Similarity NPD2629 Approved
0.6991 Remote Similarity NPD1843 Approved
0.699 Remote Similarity NPD225 Approved
0.699 Remote Similarity NPD227 Approved
0.6964 Remote Similarity NPD1202 Approved
0.696 Remote Similarity NPD6065 Approved
0.6957 Remote Similarity NPD1238 Approved
0.695 Remote Similarity NPD7236 Approved
0.6923 Remote Similarity NPD6647 Phase 2
0.6911 Remote Similarity NPD6010 Discontinued
0.6909 Remote Similarity NPD5347 Phase 2
0.6909 Remote Similarity NPD5346 Phase 2
0.6899 Remote Similarity NPD6637 Approved
0.6899 Remote Similarity NPD4878 Approved
0.686 Remote Similarity NPD3646 Clinical (unspecified phase)
0.6855 Remote Similarity NPD4766 Approved
0.685 Remote Similarity NPD3024 Approved
0.685 Remote Similarity NPD3025 Approved
0.6828 Remote Similarity NPD7239 Suspended
0.6822 Remote Similarity NPD1281 Approved
0.6797 Remote Similarity NPD3019 Approved
0.6797 Remote Similarity NPD5836 Discontinued
0.6792 Remote Similarity NPD226 Approved
0.6789 Remote Similarity NPD9259 Approved
0.6789 Remote Similarity NPD9257 Approved
0.6781 Remote Similarity NPD7458 Discontinued
0.6767 Remote Similarity NPD7084 Phase 3
0.6762 Remote Similarity NPD9490 Approved
0.6744 Remote Similarity NPD3023 Approved
0.6744 Remote Similarity NPD3026 Approved
0.6741 Remote Similarity NPD5422 Clinical (unspecified phase)
0.6727 Remote Similarity NPD4793 Discontinued
0.6723 Remote Similarity NPD1237 Approved
0.6714 Remote Similarity NPD2346 Discontinued
0.6714 Remote Similarity NPD7702 Clinical (unspecified phase)
0.6698 Remote Similarity NPD1507 Clinical (unspecified phase)
0.6697 Remote Similarity NPD5734 Clinical (unspecified phase)
0.6695 Remote Similarity NPD2648 Phase 3
0.6695 Remote Similarity NPD2193 Phase 2
0.6692 Remote Similarity NPD6007 Clinical (unspecified phase)
0.6691 Remote Similarity NPD8032 Phase 2
0.6691 Remote Similarity NPD7713 Phase 3
0.6691 Remote Similarity NPD6663 Approved
0.669 Remote Similarity NPD6273 Approved
0.6667 Remote Similarity NPD3971 Phase 1
0.6667 Remote Similarity NPD4198 Discontinued
0.6667 Remote Similarity NPD3226 Approved
0.6667 Remote Similarity NPD1283 Approved
0.6667 Remote Similarity NPD2932 Approved
0.6667 Remote Similarity NPD1876 Approved
0.6667 Remote Similarity NPD6966 Discovery
0.6667 Remote Similarity NPD9491 Approved
0.6643 Remote Similarity NPD5404 Approved
0.6643 Remote Similarity NPD5405 Approved
0.6643 Remote Similarity NPD5406 Approved
0.6643 Remote Similarity NPD5408 Approved
0.6642 Remote Similarity NPD5736 Approved
0.662 Remote Similarity NPD7421 Clinical (unspecified phase)
0.6614 Remote Similarity NPD4574 Approved
0.6614 Remote Similarity NPD4576 Approved
0.6593 Remote Similarity NPD7055 Discontinued
0.6591 Remote Similarity NPD182 Clinical (unspecified phase)
0.6589 Remote Similarity NPD1245 Approved
0.6589 Remote Similarity NPD1651 Approved
0.6589 Remote Similarity NPD4196 Clinical (unspecified phase)
0.6585 Remote Similarity NPD1752 Approved
0.6585 Remote Similarity NPD4233 Approved
0.6585 Remote Similarity NPD1756 Approved
0.6585 Remote Similarity NPD4234 Approved
0.6581 Remote Similarity NPD5926 Approved
0.6573 Remote Similarity NPD8166 Discontinued
0.6567 Remote Similarity NPD2798 Approved
0.6565 Remote Similarity NPD1201 Approved
0.6565 Remote Similarity NPD5618 Discontinued
0.656 Remote Similarity NPD2607 Approved
0.6555 Remote Similarity NPD2196 Discontinued
0.6549 Remote Similarity NPD9258 Approved
0.6549 Remote Similarity NPD9256 Approved
0.6541 Remote Similarity NPD6330 Clinical (unspecified phase)
0.6532 Remote Similarity NPD3644 Approved
0.6532 Remote Similarity NPD3642 Approved
0.6532 Remote Similarity NPD3643 Approved
0.6529 Remote Similarity NPD5048 Discontinued
0.6522 Remote Similarity NPD2979 Phase 3
0.6496 Remote Similarity NPD3764 Approved
0.6493 Remote Similarity NPD3266 Approved
0.6493 Remote Similarity NPD1470 Approved
0.6493 Remote Similarity NPD3267 Approved
0.6475 Remote Similarity NPD6685 Approved
0.6471 Remote Similarity NPD3135 Clinical (unspecified phase)
0.6466 Remote Similarity NPD4094 Approved
0.6458 Remote Similarity NPD4628 Phase 3
0.6457 Remote Similarity NPD1246 Approved
0.6454 Remote Similarity NPD2799 Discontinued
0.6452 Remote Similarity NPD2067 Discontinued
0.6449 Remote Similarity NPD7714 Approved
0.6449 Remote Similarity NPD7715 Approved
0.6443 Remote Similarity NPD5808 Clinical (unspecified phase)
0.6439 Remote Similarity NPD7437 Approved
0.6439 Remote Similarity NPD7436 Approved
0.6429 Remote Similarity NPD506 Clinical (unspecified phase)
0.6429 Remote Similarity NPD3573 Approved
0.641 Remote Similarity NPD5206 Clinical (unspecified phase)
0.6405 Remote Similarity NPD7058 Phase 2
0.6405 Remote Similarity NPD7057 Phase 3
0.6391 Remote Similarity NPD3880 Clinical (unspecified phase)
0.6378 Remote Similarity NPD2652 Approved
0.6378 Remote Similarity NPD2650 Approved
0.6377 Remote Similarity NPD3268 Approved
0.6377 Remote Similarity NPD2313 Discontinued
0.6364 Remote Similarity NPD5765 Approved
0.6364 Remote Similarity NPD2343 Clinical (unspecified phase)
0.6364 Remote Similarity NPD5700 Clinical (unspecified phase)
0.6356 Remote Similarity NPD4655 Approved
0.6356 Remote Similarity NPD4657 Approved
0.6341 Remote Similarity NPD5705 Approved
0.6341 Remote Similarity NPD5706 Approved
0.6341 Remote Similarity NPD5704 Approved
0.6338 Remote Similarity NPD1509 Clinical (unspecified phase)
0.6338 Remote Similarity NPD7305 Phase 1
0.6336 Remote Similarity NPD5691 Approved
0.6336 Remote Similarity NPD5981 Approved
0.6333 Remote Similarity NPD6591 Clinical (unspecified phase)
0.6328 Remote Similarity NPD690 Clinical (unspecified phase)
0.6327 Remote Similarity NPD8165 Discontinued
0.6325 Remote Similarity NPD9260 Approved
0.6312 Remote Similarity NPD3528 Clinical (unspecified phase)
0.6299 Remote Similarity NPD1279 Clinical (unspecified phase)
0.6296 Remote Similarity NPD1574 Approved
0.6294 Remote Similarity NPD2531 Phase 2
0.6294 Remote Similarity NPD2438 Suspended
0.6288 Remote Similarity NPD5305 Approved
0.6288 Remote Similarity NPD5306 Approved
0.6288 Remote Similarity NPD4626 Approved
0.6286 Remote Similarity NPD4307 Phase 2
0.6281 Remote Similarity NPD6027 Approved
0.6281 Remote Similarity NPD6024 Approved
0.6281 Remote Similarity NPD2171 Approved
0.6271 Remote Similarity NPD7732 Phase 3
0.626 Remote Similarity NPD2197 Approved
0.626 Remote Similarity NPD1677 Discontinued
0.626 Remote Similarity NPD1018 Approved

Structure

External Identifiers

PubChem CID   220347
ChEMBL   CHEMBL451732
ZINC  

Physicochemical Properties

Molecular Weight:  328.20
ALogP:  0.6054
MLogP:  3.44
XLogP:  6.139
# Rotatable Bonds:  8
Polar Surface Area:  43.37
# H-Bond Aceptor:  3
# H-Bond Donor:  0
# Rings:  3
# Heavy Atoms:  24

Download Data

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