Natural Product: NPC4827

Natural Product ID:  NPC4827
Common Name:   Ethyl (1R,4Ar,4Br,10Ar)-1,4A-Dimethyl-7-Propan-2-Yl-2,3,4,4B,5,6,10,10A-Octahydrophenanthrene-1-Carboxylate
IUPAC Name:   ethyl (1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate
Synonyms:  
Molecular Formula:   C22H34O2
Standard InCHIKey:  AGUBCDYYAKENKG-YVNJGZBMSA-N
Standard InCHI:  InChI=1S/C22H34O2/c1-6-24-20(23)22(5)13-7-12-21(4)18-10-8-16(15(2)3)14-17(18)9-11-19(21)22/h9,14-15,18-19H,6-8,10-13H2,1-5H3/t18-,19+,21+,22+/m0/s1
Canonical SMILES:  CCOC(=O)[C@]1(C)CCC[C@]2([C@H]1CC=C1[C@@H]2CCC(=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
NPO28545 Scymnorhinus lichia NA NA NA UNPD*
NPO28807 Laggera pterodonta Species Asteraceae Eukaryota UNPD*
NPO28337 Pimpinella peregrina Species Apiaceae Eukaryota UNPD*
NPO28196 Brachylaena perrieri Species Asteraceae Eukaryota UNPD*
NPO28842 Oscillatoria raoi Species Oscillatoriaceae Bacteria UNPD*
NPO28233 Diplotropis ferruginea Species Fabaceae Eukaryota UNPD*
NPO28701 Salvia lanigera Species Lamiaceae Eukaryota UNPD*
NPO28559 Julbernardia globifera Species Fabaceae Eukaryota UNPD*
NPO28877 Scutellaria baicalensis Species Lamiaceae Eukaryota UNPD*
NPO28145 Dendrodoris limbata Species Dendrodorididae Eukaryota UNPD*
NPO7698 Elettaria cardamomum Species Zingiberaceae Eukaryota UNPD*
NPO28778 Eucalyptus viminalis Species Myrtaceae Eukaryota UNPD*
NPO27988 Salvia pisidica Species Lamiaceae Eukaryota UNPD*
NPO28830 Acronychia haplophylla Species Rutaceae Eukaryota UNPD*
NPO28739 Othonna macrophylla Species Asteraceae Eukaryota UNPD*
NPO28895 Pinus monticola Species Pinaceae Eukaryota UNPD*
NPO17288 Piliostigma thonningii Species Fabaceae Eukaryota UNPD*
NPO28326 Uncaria longiflora Species Rubiaceae Eukaryota UNPD*
NPO28932 Myrrhis odorata Species Apiaceae Eukaryota UNPD*
NPO28127 Ursinia speciosa Species Asteraceae Eukaryota UNPD*
NPO24144 Ophiomastix mixta Species Ophiocomidae Eukaryota UNPD*
NPO28435 Solanum crinitum Species Solanaceae Eukaryota UNPD*
NPO28641 Tubocapsicum anomalum Species Solanaceae Eukaryota UNPD*
NPO28464 Mentha sylvestris Species Lamiaceae Eukaryota UNPD*
NPO28765 Miliusa balansae Species Annonaceae Eukaryota UNPD*
NPO28213 Humicola grisea Species Chaetomiaceae Eukaryota UNPD*
NPO28669 Cuscuta australis Species Convolvulaceae Eukaryota UNPD*
NPO21547 Crinum giganteum Species Amaryllidaceae Eukaryota UNPD*
NPO28112 Amauris niavius Species Nymphalidae Eukaryota UNPD*
NPO28065 Pentachondra pumila Species Ericaceae Eukaryota UNPD*
NPO28384 Ascotricha chartarum Species Xylariaceae Eukaryota UNPD*
NPO28414 Medicosma fareana Species Rutaceae Eukaryota UNPD*
NPO28280 Cetraria komarovii Species Parmeliaceae Eukaryota UNPD*
NPO28266 Phlomis ostrowskiana Species Lamiaceae Eukaryota UNPD*
NPO24010 Buglossoides arvensis Species Boraginaceae Eukaryota UNPD*
NPO27927 Alligator sinensis Species Alligatoridae Eukaryota UNPD*
NPO28171 Anacyclus pyrethrum Species Asteraceae Eukaryota UNPD*
NPO27968 Phoma linga Species Didymellaceae Eukaryota UNPD*
NPO14130 Phagnalon rupestre Species Asteraceae Eukaryota UNPD*
NPO28688 Aster tataricus Species Asteraceae Eukaryota UNPD*
NPO28489 Euphrasia regelii Species Orobanchaceae Eukaryota UNPD*
NPO28578 Uperoleia inundata Species Myobatrachidae Eukaryota UNPD*
NPO28855 Salix petiolaris Species Salicaceae Eukaryota UNPD*
NPO28501 Hortonia angustifolia Species Monimiaceae Eukaryota UNPD*
NPO27880 Mimusops laurifolia Species Sapotaceae Eukaryota UNPD*
NPO28623 Phlox decussata Species Polemoniaceae Eukaryota UNPD*
NPO23092 Ammodendron karelinii Species Fabaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT834 Organism Trametes versicolor Trametes versicolor Ratio = 26.67 25466709
NPT835 Organism Gloeophyllum trabeum Gloeophyllum trabeum Ratio = 36.36 25466709

  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 NPC4827 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
0.9722 High Similarity NPC899
0.9444 High Similarity NPC306928
0.9091 High Similarity NPC474955
0.8933 High Similarity NPC309399
0.8919 High Similarity NPC166797
0.8831 High Similarity NPC327674
0.878 High Similarity NPC24816
0.8734 High Similarity NPC15910
0.8667 High Similarity NPC301065
0.8642 High Similarity NPC76333
0.8642 High Similarity NPC2709
0.8608 High Similarity NPC327002
0.8571 High Similarity NPC472300
0.8554 High Similarity NPC472220
0.8554 High Similarity NPC97884
0.8519 High Similarity NPC312660
0.8481 Intermediate Similarity NPC267517
0.8481 Intermediate Similarity NPC104545
0.8462 Intermediate Similarity NPC321514
0.8452 Intermediate Similarity NPC475049
0.8442 Intermediate Similarity NPC41017
0.8415 Intermediate Similarity NPC470223
0.84 Intermediate Similarity NPC160817
0.8395 Intermediate Similarity NPC83569
0.8395 Intermediate Similarity NPC69279
0.8375 Intermediate Similarity NPC142244
0.8333 Intermediate Similarity NPC471899
0.8333 Intermediate Similarity NPC471897
0.8333 Intermediate Similarity NPC107039
0.8313 Intermediate Similarity NPC325594
0.8313 Intermediate Similarity NPC91525
0.8313 Intermediate Similarity NPC329943
0.8313 Intermediate Similarity NPC10005
0.8313 Intermediate Similarity NPC195640
0.8313 Intermediate Similarity NPC9892
0.8313 Intermediate Similarity NPC264127
0.8312 Intermediate Similarity NPC476844
0.8312 Intermediate Similarity NPC279666
0.8312 Intermediate Similarity NPC192540
0.8293 Intermediate Similarity NPC100391
0.8272 Intermediate Similarity NPC296367
0.825 Intermediate Similarity NPC477057
0.825 Intermediate Similarity NPC195424
0.8235 Intermediate Similarity NPC84271
0.8235 Intermediate Similarity NPC102414
0.8235 Intermediate Similarity NPC284561
0.8235 Intermediate Similarity NPC77168
0.8228 Intermediate Similarity NPC280654
0.8228 Intermediate Similarity NPC35574
0.8228 Intermediate Similarity NPC260385
0.8228 Intermediate Similarity NPC110094
0.8214 Intermediate Similarity NPC162107
0.8214 Intermediate Similarity NPC46912
0.8205 Intermediate Similarity NPC89294
0.8205 Intermediate Similarity NPC69143
0.8193 Intermediate Similarity NPC470048
0.8193 Intermediate Similarity NPC323765
0.8182 Intermediate Similarity NPC283908
0.8182 Intermediate Similarity NPC241854
0.8182 Intermediate Similarity NPC3753
0.8182 Intermediate Similarity NPC103958
0.8182 Intermediate Similarity NPC161923
0.8182 Intermediate Similarity NPC237591
0.8182 Intermediate Similarity NPC476046
0.8182 Intermediate Similarity NPC183503
0.8182 Intermediate Similarity NPC251970
0.8171 Intermediate Similarity NPC200752
0.8171 Intermediate Similarity NPC70834
0.8148 Intermediate Similarity NPC201912
0.8148 Intermediate Similarity NPC229584
0.8148 Intermediate Similarity NPC14203
0.8148 Intermediate Similarity NPC38350
0.814 Intermediate Similarity NPC212679
0.814 Intermediate Similarity NPC148414
0.814 Intermediate Similarity NPC469595
0.814 Intermediate Similarity NPC175628
0.814 Intermediate Similarity NPC220454
0.814 Intermediate Similarity NPC111585
0.8125 Intermediate Similarity NPC199595
0.8125 Intermediate Similarity NPC196827
0.8125 Intermediate Similarity NPC16394
0.8125 Intermediate Similarity NPC274996
0.8125 Intermediate Similarity NPC231431
0.8125 Intermediate Similarity NPC158565
0.8118 Intermediate Similarity NPC28227
0.8118 Intermediate Similarity NPC224145
0.8118 Intermediate Similarity NPC472302
0.8118 Intermediate Similarity NPC474845
0.8108 Intermediate Similarity NPC193770
0.8095 Intermediate Similarity NPC73038
0.8095 Intermediate Similarity NPC324063
0.8077 Intermediate Similarity NPC228978
0.8072 Intermediate Similarity NPC139566
0.8072 Intermediate Similarity NPC109512
0.8072 Intermediate Similarity NPC156981
0.8068 Intermediate Similarity NPC56525
0.8052 Intermediate Similarity NPC279241
0.8049 Intermediate Similarity NPC321289
0.8049 Intermediate Similarity NPC260956
0.8049 Intermediate Similarity NPC73882
0.8049 Intermediate Similarity NPC142683
0.8049 Intermediate Similarity NPC327969
0.8049 Intermediate Similarity NPC240302
0.8046 Intermediate Similarity NPC301244
0.8046 Intermediate Similarity NPC26888
0.8025 Intermediate Similarity NPC37038
0.8025 Intermediate Similarity NPC474956
0.8025 Intermediate Similarity NPC269791
0.8023 Intermediate Similarity NPC474700
0.8023 Intermediate Similarity NPC474889
0.8023 Intermediate Similarity NPC161751
0.8023 Intermediate Similarity NPC474972
0.8023 Intermediate Similarity NPC474570
0.8023 Intermediate Similarity NPC95246
0.8 Intermediate Similarity NPC477228
0.8 Intermediate Similarity NPC71507
0.8 Intermediate Similarity NPC179028
0.8 Intermediate Similarity NPC239098
0.8 Intermediate Similarity NPC167877
0.8 Intermediate Similarity NPC187376
0.8 Intermediate Similarity NPC159046
0.8 Intermediate Similarity NPC233836
0.7976 Intermediate Similarity NPC189311
0.7955 Intermediate Similarity NPC152897
0.7955 Intermediate Similarity NPC66429
0.7955 Intermediate Similarity NPC263780
0.7952 Intermediate Similarity NPC22611
0.7931 Intermediate Similarity NPC474842
0.7931 Intermediate Similarity NPC328141
0.7931 Intermediate Similarity NPC469372
0.7931 Intermediate Similarity NPC475965
0.7931 Intermediate Similarity NPC159748
0.7931 Intermediate Similarity NPC101651
0.7931 Intermediate Similarity NPC120840
0.7931 Intermediate Similarity NPC113989
0.7931 Intermediate Similarity NPC474728
0.7931 Intermediate Similarity NPC471896
0.7927 Intermediate Similarity NPC471898
0.7927 Intermediate Similarity NPC263272
0.7927 Intermediate Similarity NPC221647
0.7927 Intermediate Similarity NPC475665
0.7927 Intermediate Similarity NPC473420
0.7927 Intermediate Similarity NPC476988
0.7927 Intermediate Similarity NPC274050
0.7927 Intermediate Similarity NPC267691
0.7927 Intermediate Similarity NPC147066
0.7927 Intermediate Similarity NPC278459
0.7927 Intermediate Similarity NPC162632
0.7927 Intermediate Similarity NPC121984
0.7912 Intermediate Similarity NPC477813
0.7907 Intermediate Similarity NPC40552
0.7907 Intermediate Similarity NPC246708
0.7901 Intermediate Similarity NPC28319
0.7901 Intermediate Similarity NPC474113
0.7901 Intermediate Similarity NPC477371
0.7901 Intermediate Similarity NPC153987
0.7901 Intermediate Similarity NPC471475
0.7901 Intermediate Similarity NPC44083
0.7882 Intermediate Similarity NPC220478
0.7882 Intermediate Similarity NPC155011
0.7882 Intermediate Similarity NPC262085
0.7882 Intermediate Similarity NPC28252
0.7882 Intermediate Similarity NPC55309
0.7882 Intermediate Similarity NPC322159
0.7875 Intermediate Similarity NPC165711
0.7875 Intermediate Similarity NPC316500
0.7865 Intermediate Similarity NPC469406
0.7865 Intermediate Similarity NPC80365
0.7857 Intermediate Similarity NPC320801
0.7857 Intermediate Similarity NPC165064
0.7848 Intermediate Similarity NPC476795
0.7841 Intermediate Similarity NPC36491
0.7841 Intermediate Similarity NPC297265
0.7841 Intermediate Similarity NPC285184
0.7841 Intermediate Similarity NPC174167
0.7841 Intermediate Similarity NPC218301
0.7841 Intermediate Similarity NPC60755
0.7841 Intermediate Similarity NPC470036
0.7841 Intermediate Similarity NPC470590
0.7841 Intermediate Similarity NPC77099
0.7831 Intermediate Similarity NPC163236
0.7831 Intermediate Similarity NPC100297
0.7831 Intermediate Similarity NPC69101
0.7831 Intermediate Similarity NPC200513
0.7831 Intermediate Similarity NPC251779
0.7821 Intermediate Similarity NPC470237
0.7816 Intermediate Similarity NPC469546
0.7816 Intermediate Similarity NPC173042
0.7816 Intermediate Similarity NPC30522
0.7816 Intermediate Similarity NPC470588
0.7816 Intermediate Similarity NPC474686
0.7805 Intermediate Similarity NPC473685
0.7805 Intermediate Similarity NPC2482
0.7805 Intermediate Similarity NPC474978
0.7792 Intermediate Similarity NPC91369
0.7791 Intermediate Similarity NPC96496
0.7791 Intermediate Similarity NPC98442
0.7791 Intermediate Similarity NPC293564
0.7791 Intermediate Similarity NPC88716
0.7791 Intermediate Similarity NPC142415

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC4827 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
0.8313 Intermediate Similarity NPD6409 Approved
0.8313 Intermediate Similarity NPD7146 Approved
0.8313 Intermediate Similarity NPD5330 Approved
0.8313 Intermediate Similarity NPD7334 Approved
0.8313 Intermediate Similarity NPD6684 Approved
0.8313 Intermediate Similarity NPD7521 Approved
0.8118 Intermediate Similarity NPD6903 Approved
0.8118 Intermediate Similarity NPD7513 Clinical (unspecified phase)
0.8118 Intermediate Similarity NPD5737 Approved
0.8118 Intermediate Similarity NPD6672 Approved
0.8077 Intermediate Similarity NPD8039 Approved
0.8046 Intermediate Similarity NPD6050 Approved
0.7931 Intermediate Similarity NPD5692 Phase 3
0.7931 Intermediate Similarity NPD5207 Approved
0.7882 Intermediate Similarity NPD6098 Approved
0.7841 Intermediate Similarity NPD5694 Approved
0.7841 Intermediate Similarity NPD6411 Approved
0.7831 Intermediate Similarity NPD4752 Clinical (unspecified phase)
0.7753 Intermediate Similarity NPD6399 Phase 3
0.7667 Intermediate Similarity NPD7900 Approved
0.7667 Intermediate Similarity NPD7901 Clinical (unspecified phase)
0.7667 Intermediate Similarity NPD7748 Approved
0.7614 Intermediate Similarity NPD6673 Approved
0.7614 Intermediate Similarity NPD6904 Approved
0.7614 Intermediate Similarity NPD6080 Approved
0.7614 Intermediate Similarity NPD7285 Clinical (unspecified phase)
0.7614 Intermediate Similarity NPD6101 Approved
0.7614 Intermediate Similarity NPD5764 Clinical (unspecified phase)
0.7586 Intermediate Similarity NPD3573 Approved
0.7582 Intermediate Similarity NPD5695 Phase 3
0.75 Intermediate Similarity NPD5208 Approved
0.75 Intermediate Similarity NPD5733 Approved
0.7471 Intermediate Similarity NPD5279 Phase 3
0.7444 Intermediate Similarity NPD5281 Approved
0.7444 Intermediate Similarity NPD7515 Phase 2
0.7444 Intermediate Similarity NPD5284 Approved
0.7442 Intermediate Similarity NPD4786 Approved
0.7419 Intermediate Similarity NPD6083 Phase 2
0.7419 Intermediate Similarity NPD6084 Phase 2
0.7419 Intermediate Similarity NPD7902 Approved
0.7412 Intermediate Similarity NPD3667 Approved
0.7391 Intermediate Similarity NPD6356 Clinical (unspecified phase)
0.7391 Intermediate Similarity NPD5654 Approved
0.7284 Intermediate Similarity NPD4687 Approved
0.7273 Intermediate Similarity NPD5280 Approved
0.7273 Intermediate Similarity NPD4694 Approved
0.7253 Intermediate Similarity NPD5693 Phase 1
0.725 Intermediate Similarity NPD5276 Approved
0.7241 Intermediate Similarity NPD3133 Approved
0.7241 Intermediate Similarity NPD3668 Phase 3
0.7241 Intermediate Similarity NPD3666 Approved
0.7241 Intermediate Similarity NPD3665 Phase 1
0.7234 Intermediate Similarity NPD5959 Approved
0.7174 Intermediate Similarity NPD5778 Approved
0.7174 Intermediate Similarity NPD5779 Approved
0.7159 Intermediate Similarity NPD1694 Approved
0.7158 Intermediate Similarity NPD5696 Approved
0.7128 Intermediate Similarity NPD7732 Phase 3
0.7097 Intermediate Similarity NPD6001 Approved
0.7083 Intermediate Similarity NPD6404 Discontinued
0.7079 Intermediate Similarity NPD3618 Phase 1
0.7073 Intermediate Similarity NPD4058 Approved
0.7033 Intermediate Similarity NPD6051 Approved
0.7033 Intermediate Similarity NPD5328 Approved
0.7013 Intermediate Similarity NPD5325 Clinical (unspecified phase)
0.7011 Intermediate Similarity NPD4223 Phase 3
0.7011 Intermediate Similarity NPD4221 Approved
0.7 Intermediate Similarity NPD4137 Phase 3
0.6977 Remote Similarity NPD4695 Discontinued
0.6966 Remote Similarity NPD7520 Clinical (unspecified phase)
0.6966 Remote Similarity NPD5329 Approved
0.6914 Remote Similarity NPD4691 Approved
0.6914 Remote Similarity NPD4747 Approved
0.69 Remote Similarity NPD6402 Approved
0.69 Remote Similarity NPD5739 Approved
0.69 Remote Similarity NPD7128 Approved
0.69 Remote Similarity NPD6675 Approved
0.6889 Remote Similarity NPD5690 Phase 2
0.6882 Remote Similarity NPD6079 Approved
0.6882 Remote Similarity NPD8035 Phase 2
0.6882 Remote Similarity NPD8034 Phase 2
0.6875 Remote Similarity NPD3621 Clinical (unspecified phase)
0.6854 Remote Similarity NPD4197 Approved
0.6848 Remote Similarity NPD4753 Phase 2
0.6829 Remote Similarity NPD5777 Approved
0.6804 Remote Similarity NPD7638 Approved
0.6774 Remote Similarity NPD4096 Approved
0.6771 Remote Similarity NPD7614 Phase 1
0.6771 Remote Similarity NPD5349 Clinical (unspecified phase)
0.6765 Remote Similarity NPD7320 Approved
0.6765 Remote Similarity NPD6881 Approved
0.6765 Remote Similarity NPD6899 Approved
0.6762 Remote Similarity NPD7094 Approved
0.6762 Remote Similarity NPD6858 Approved
0.6744 Remote Similarity NPD3617 Approved
0.6735 Remote Similarity NPD7639 Approved
0.6735 Remote Similarity NPD7640 Approved
0.6733 Remote Similarity NPD6008 Approved
0.6705 Remote Similarity NPD4139 Approved
0.6705 Remote Similarity NPD4692 Approved
0.6703 Remote Similarity NPD4693 Phase 3
0.6703 Remote Similarity NPD4688 Approved
0.6703 Remote Similarity NPD4690 Approved
0.6703 Remote Similarity NPD4623 Approved
0.6703 Remote Similarity NPD4519 Discontinued
0.6703 Remote Similarity NPD4689 Approved
0.6703 Remote Similarity NPD5205 Approved
0.6703 Remote Similarity NPD4138 Approved
0.67 Remote Similarity NPD6052 Approved
0.6699 Remote Similarity NPD6373 Approved
0.6699 Remote Similarity NPD6372 Approved
0.6667 Remote Similarity NPD7645 Phase 2
0.6667 Remote Similarity NPD5697 Approved
0.6667 Remote Similarity NPD5701 Approved
0.6635 Remote Similarity NPD6883 Approved
0.6635 Remote Similarity NPD7102 Approved
0.6635 Remote Similarity NPD7290 Approved
0.6632 Remote Similarity NPD5133 Approved
0.6632 Remote Similarity NPD4202 Approved
0.6602 Remote Similarity NPD6011 Approved
0.6588 Remote Similarity NPD6942 Approved
0.6588 Remote Similarity NPD7339 Approved
0.6571 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6571 Remote Similarity NPD6869 Approved
0.6571 Remote Similarity NPD6649 Approved
0.6571 Remote Similarity NPD8130 Phase 1
0.6571 Remote Similarity NPD6650 Approved
0.6571 Remote Similarity NPD6617 Approved
0.6571 Remote Similarity NPD6847 Approved
0.6559 Remote Similarity NPD4518 Approved
0.6556 Remote Similarity NPD4788 Approved
0.6556 Remote Similarity NPD3527 Clinical (unspecified phase)
0.6538 Remote Similarity NPD6012 Approved
0.6538 Remote Similarity NPD6014 Approved
0.6538 Remote Similarity NPD6013 Approved
0.6526 Remote Similarity NPD7637 Suspended
0.6522 Remote Similarity NPD3574 Clinical (unspecified phase)
0.6512 Remote Similarity NPD3701 Clinical (unspecified phase)
0.6509 Remote Similarity NPD6882 Approved
0.6509 Remote Similarity NPD8297 Approved
0.6505 Remote Similarity NPD6412 Phase 2
0.6505 Remote Similarity NPD6614 Approved
0.6495 Remote Similarity NPD4629 Approved
0.6495 Remote Similarity NPD5210 Approved
0.6471 Remote Similarity NPD6924 Approved
0.6471 Remote Similarity NPD6926 Approved
0.6442 Remote Similarity NPD6686 Approved
0.6429 Remote Similarity NPD4697 Phase 3
0.6429 Remote Similarity NPD4243 Approved
0.6429 Remote Similarity NPD5220 Clinical (unspecified phase)
0.6429 Remote Similarity NPD5221 Approved
0.6429 Remote Similarity NPD5222 Approved
0.6421 Remote Similarity NPD3672 Approved
0.6421 Remote Similarity NPD3673 Approved
0.6404 Remote Similarity NPD8259 Clinical (unspecified phase)
0.6395 Remote Similarity NPD8264 Approved
0.6395 Remote Similarity NPD3702 Approved
0.6381 Remote Similarity NPD8132 Clinical (unspecified phase)
0.6364 Remote Similarity NPD5173 Approved
0.6364 Remote Similarity NPD4755 Approved
0.6364 Remote Similarity NPD5784 Clinical (unspecified phase)
0.6344 Remote Similarity NPD6422 Discontinued
0.6333 Remote Similarity NPD8028 Phase 2
0.633 Remote Similarity NPD6868 Approved
0.6322 Remote Similarity NPD6933 Approved
0.6301 Remote Similarity NPD29 Approved
0.6301 Remote Similarity NPD28 Approved
0.6292 Remote Similarity NPD4195 Approved
0.6279 Remote Similarity NPD4784 Approved
0.6279 Remote Similarity NPD6113 Clinical (unspecified phase)
0.6279 Remote Similarity NPD4785 Approved
0.6273 Remote Similarity NPD7115 Discovery
0.6264 Remote Similarity NPD5209 Approved
0.6264 Remote Similarity NPD6435 Approved
0.6263 Remote Similarity NPD1989 Approved
0.6238 Remote Similarity NPD5285 Approved
0.6238 Remote Similarity NPD5286 Approved
0.6238 Remote Similarity NPD4700 Approved
0.6238 Remote Similarity NPD4696 Approved
0.6224 Remote Similarity NPD5707 Approved
0.6222 Remote Similarity NPD7525 Registered
0.622 Remote Similarity NPD7331 Phase 2
0.622 Remote Similarity NPD4224 Phase 2
0.6216 Remote Similarity NPD6335 Approved
0.6196 Remote Similarity NPD6695 Phase 3
0.6196 Remote Similarity NPD5362 Discontinued
0.6196 Remote Similarity NPD7154 Phase 3
0.619 Remote Similarity NPD6922 Approved
0.619 Remote Similarity NPD5954 Clinical (unspecified phase)
0.619 Remote Similarity NPD6923 Approved
0.6182 Remote Similarity NPD6274 Approved
0.6176 Remote Similarity NPD5223 Approved
0.6161 Remote Similarity NPD7101 Approved
0.6161 Remote Similarity NPD7100 Approved
0.6154 Remote Similarity NPD5369 Approved
0.6154 Remote Similarity NPD287 Approved
0.6147 Remote Similarity NPD4632 Approved
0.6139 Remote Similarity NPD4225 Approved
0.6136 Remote Similarity NPD6117 Approved
0.6129 Remote Similarity NPD7338 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   61182
ChEMBL   CHEMBL3358315
ZINC  

Physicochemical Properties

Molecular Weight:  330.26
ALogP:  1.8787
MLogP:  3.66
XLogP:  6.857
# Rotatable Bonds:  9
Polar Surface Area:  26.3
# H-Bond Aceptor:  2
# H-Bond Donor:  0
# Rings:  3
# Heavy Atoms:  24

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
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