Natural Product: NPC36616

Natural Product ID:  NPC36616
Common Name:   Pinifolic Acid
IUPAC Name:   (1R,4aR,5S,8aR)-5-[(3S)-4-carboxy-3-methylbutyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid
Synonyms:   Pinifolic Acid
Molecular Formula:   C20H32O4
Standard InCHIKey:  HPQKNJHVWUWAOR-QBSBYYDBSA-N
Standard InCHI:  InChI=1S/C20H32O4/c1-13(12-17(21)22)6-8-15-14(2)7-9-16-19(15,3)10-5-11-20(16,4)18(23)24/h13,15-16H,2,5-12H2,1,3-4H3,(H,21,22)(H,23,24)/t13-,15-,16+,19+,20+/m0/s1
Canonical SMILES:  OC(=O)C[C@H](CC[C@H]1C(=C)CC[C@@H]2[C@]1(C)CCC[C@@]2(C)C(=O)O)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
NPO422 Euphorbia cornigera Species Euphorbiaceae Eukaryota UNPD*
NPO11747 Ocimum tenuiflorum Species Lamiaceae Eukaryota UNPD*
NPO849 Euonymus tingens Species Celastraceae Eukaryota UNPD*
NPO3408 Viguiera decurrens Species Asteraceae Eukaryota UNPD*
NPO4949 Salvia yosgadensis Species Lamiaceae Eukaryota UNPD*
NPO17593 Pinus sylvestris Species Pinaceae Eukaryota UNPD*
NPO3956 Maesa ramentacea Species Primulaceae Eukaryota UNPD*
NPO6231 Cortinarius odoratus Species Cortinariaceae Eukaryota UNPD*
NPO15487 Gymnopus confluens Species Omphalotaceae Eukaryota UNPD*
NPO18993 Araiostegiella perdurans Species Davalliaceae Eukaryota UNPD*
NPO1489 Pseudoplexaura flagellosa Species Plexauridae Eukaryota UNPD*
NPO6836 Alpinia blepharocalyx Species Zingiberaceae Eukaryota UNPD*
NPO5975 Aspergillus carneus Species Aspergillaceae Eukaryota UNPD*
NPO3554 Aonidiella aurantii Species Diaspididae Eukaryota UNPD*
NPO14054 Penicillium janczewskii Species Aspergillaceae Eukaryota UNPD*
NPO3261 Aplysina archeri Species Aplysinidae Eukaryota UNPD*
NPO7606 Salacia lehmbachii Species Celastraceae Eukaryota UNPD*
NPO2993 Nototodarus sloanii Species Ommastrephidae Eukaryota UNPD*
NPO5584 Aldisa sanguinea Species Dorididae Eukaryota UNPD*
NPO2408 Millettia laurentii Species Fabaceae Eukaryota UNPD*
NPO2697 Monodora tenuifolia Species Annonaceae Eukaryota UNPD*
NPO7760 Macrolepiota neomastoidea Species Agaricaceae Eukaryota UNPD*
NPO1242 Balanops australiana Species Balanopaceae Eukaryota UNPD*
NPO1390 Melolontha melolontha Species Scarabaeidae Eukaryota UNPD*
NPO7007 Eucalyptus jenseni Species Myrtaceae Eukaryota UNPD*
NPO2250 Hylocomium splendens Species Hylocomiaceae Eukaryota UNPD*
NPO32774 Copaifera Genus Fabaceae Eukaryota PMID[22440015]
NPO6457 Pinus strobus Species Pinaceae Eukaryota UNPD*
NPO8058 Pluchea odorata Species Asteraceae Eukaryota UNPD*
NPO5261 Sideroxylon cubense Species Sapotaceae Eukaryota UNPD*
NPO4564 Anguilla japonica Species Anguillidae Eukaryota UNPD*
NPO4274 Alcyonium utinomii Species Alcyoniidae Eukaryota UNPD*
NPO24089 Alcea rosea Species Malvaceae Eukaryota UNPD*
NPO7449 Eleutherobia albiflora Species Alcyoniidae Eukaryota UNPD*
NPO295 Kokoona reflexa Species Celastraceae Eukaryota UNPD*
NPO3743 Sideritis brevibracteata Species Lamiaceae Eukaryota UNPD*
NPO25760 Aspergillus striatus Species Aspergillaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT580 Organism Trypanosoma cruzi Trypanosoma cruzi IC50 = 854000 nM 22440015
NPT580 Organism Trypanosoma cruzi Trypanosoma cruzi EC50 = 1630000 nM 22440015
NPT580 Organism Trypanosoma cruzi Trypanosoma cruzi IC50 = 18600 nM 22440015
NPT2679 Cell Line LLC-MK2 Macaca mulatta CC50 = 251500 nM 22440015
NPT2 Others Unspecified Ratio CC50/IC50 = 13.5 22440015
NPT580 Organism Trypanosoma cruzi Trypanosoma cruzi Activity = 25 % 22440015
NPT2 Others Unspecified Activity = 8 % 22440015
NPT580 Organism Trypanosoma cruzi Trypanosoma cruzi Activity = 91.66 % 22440015
NPT580 Organism Trypanosoma cruzi Trypanosoma cruzi Activity = 3.85 % 22440015
NPT580 Organism Trypanosoma cruzi Trypanosoma cruzi Activity = 0.71 % 22440015
NPT580 Organism Trypanosoma cruzi Trypanosoma cruzi Activity = 3.78 % 22440015
NPT580 Organism Trypanosoma cruzi Trypanosoma cruzi Activity = 1.02 % 22440015
NPT580 Organism Trypanosoma cruzi Trypanosoma cruzi Activity = 0.21 % 22440015
NPT580 Organism Trypanosoma cruzi Trypanosoma cruzi Activity = 97.96 % 22440015
NPT580 Organism Trypanosoma cruzi Trypanosoma cruzi Activity = 0.81 % 22440015

  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 NPC36616 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 NPC290445
0.9394 High Similarity NPC91369
0.9254 High Similarity NPC72343
0.9118 High Similarity NPC36310
0.9 High Similarity NPC246445
0.8986 High Similarity NPC46610
0.8986 High Similarity NPC18819
0.8857 High Similarity NPC476844
0.8841 High Similarity NPC161187
0.8841 High Similarity NPC330659
0.8841 High Similarity NPC244708
0.8824 High Similarity NPC235586
0.875 High Similarity NPC110094
0.875 High Similarity NPC280654
0.875 High Similarity NPC260385
0.8732 High Similarity NPC20466
0.8732 High Similarity NPC476601
0.8732 High Similarity NPC89294
0.8714 High Similarity NPC255168
0.8714 High Similarity NPC237591
0.8714 High Similarity NPC3753
0.8714 High Similarity NPC183503
0.8714 High Similarity NPC161923
0.8714 High Similarity NPC283908
0.8714 High Similarity NPC103958
0.8696 High Similarity NPC160817
0.863 High Similarity NPC199595
0.8611 High Similarity NPC107039
0.8611 High Similarity NPC471897
0.8611 High Similarity NPC68828
0.8611 High Similarity NPC474433
0.8611 High Similarity NPC238227
0.8611 High Similarity NPC471899
0.8611 High Similarity NPC61952
0.8611 High Similarity NPC66105
0.8592 High Similarity NPC192540
0.8592 High Similarity NPC279666
0.8571 High Similarity NPC472813
0.8514 High Similarity NPC37038
0.8514 High Similarity NPC104545
0.8507 High Similarity NPC103734
0.8493 Intermediate Similarity NPC239098
0.8493 Intermediate Similarity NPC198240
0.8493 Intermediate Similarity NPC321690
0.8493 Intermediate Similarity NPC321514
0.8472 Intermediate Similarity NPC69143
0.8451 Intermediate Similarity NPC241854
0.8451 Intermediate Similarity NPC251970
0.8451 Intermediate Similarity NPC476046
0.84 Intermediate Similarity NPC221647
0.84 Intermediate Similarity NPC232625
0.84 Intermediate Similarity NPC278459
0.84 Intermediate Similarity NPC229584
0.84 Intermediate Similarity NPC40228
0.84 Intermediate Similarity NPC14203
0.8378 Intermediate Similarity NPC231431
0.8378 Intermediate Similarity NPC327674
0.8378 Intermediate Similarity NPC192744
0.8378 Intermediate Similarity NPC16394
0.8378 Intermediate Similarity NPC158846
0.8356 Intermediate Similarity NPC212661
0.8356 Intermediate Similarity NPC471035
0.8356 Intermediate Similarity NPC165711
0.8333 Intermediate Similarity NPC39362
0.831 Intermediate Similarity NPC177826
0.831 Intermediate Similarity NPC279241
0.8289 Intermediate Similarity NPC476292
0.8289 Intermediate Similarity NPC474605
0.8267 Intermediate Similarity NPC477057
0.8243 Intermediate Similarity NPC476810
0.8243 Intermediate Similarity NPC476986
0.8243 Intermediate Similarity NPC269543
0.8243 Intermediate Similarity NPC470905
0.8243 Intermediate Similarity NPC247783
0.8243 Intermediate Similarity NPC59436
0.8243 Intermediate Similarity NPC179028
0.8219 Intermediate Similarity NPC104806
0.8219 Intermediate Similarity NPC309399
0.8219 Intermediate Similarity NPC180886
0.8194 Intermediate Similarity NPC166797
0.8194 Intermediate Similarity NPC301065
0.8182 Intermediate Similarity NPC167103
0.8182 Intermediate Similarity NPC471037
0.8182 Intermediate Similarity NPC200752
0.8158 Intermediate Similarity NPC90055
0.8158 Intermediate Similarity NPC147066
0.8158 Intermediate Similarity NPC263272
0.8158 Intermediate Similarity NPC267691
0.8158 Intermediate Similarity NPC274050
0.8158 Intermediate Similarity NPC327002
0.8158 Intermediate Similarity NPC142244
0.8158 Intermediate Similarity NPC162632
0.8158 Intermediate Similarity NPC471898
0.8133 Intermediate Similarity NPC263951
0.8133 Intermediate Similarity NPC477371
0.8108 Intermediate Similarity NPC469867
0.8082 Intermediate Similarity NPC476795
0.8082 Intermediate Similarity NPC201027
0.8077 Intermediate Similarity NPC96095
0.8077 Intermediate Similarity NPC472864
0.8077 Intermediate Similarity NPC156981
0.8077 Intermediate Similarity NPC19849
0.8052 Intermediate Similarity NPC69101
0.8052 Intermediate Similarity NPC133391
0.8052 Intermediate Similarity NPC251779
0.8028 Intermediate Similarity NPC163020
0.8 Intermediate Similarity NPC74410
0.7975 Intermediate Similarity NPC201655
0.7975 Intermediate Similarity NPC269638
0.7949 Intermediate Similarity NPC97913
0.7949 Intermediate Similarity NPC477373
0.7949 Intermediate Similarity NPC472740
0.7949 Intermediate Similarity NPC70834
0.7949 Intermediate Similarity NPC245866
0.7941 Intermediate Similarity NPC234767
0.7922 Intermediate Similarity NPC201912
0.7922 Intermediate Similarity NPC38350
0.7922 Intermediate Similarity NPC477372
0.7895 Intermediate Similarity NPC196827
0.7895 Intermediate Similarity NPC118987
0.7895 Intermediate Similarity NPC476438
0.7895 Intermediate Similarity NPC192329
0.7895 Intermediate Similarity NPC192999
0.7895 Intermediate Similarity NPC274996
0.7875 Intermediate Similarity NPC472869
0.7875 Intermediate Similarity NPC475007
0.7875 Intermediate Similarity NPC186975
0.7875 Intermediate Similarity NPC2783
0.7875 Intermediate Similarity NPC324063
0.7875 Intermediate Similarity NPC70661
0.7875 Intermediate Similarity NPC73038
0.7875 Intermediate Similarity NPC187545
0.7875 Intermediate Similarity NPC472505
0.7875 Intermediate Similarity NPC322159
0.7875 Intermediate Similarity NPC80590
0.7867 Intermediate Similarity NPC97377
0.7857 Intermediate Similarity NPC469868
0.7857 Intermediate Similarity NPC263161
0.7848 Intermediate Similarity NPC164577
0.7848 Intermediate Similarity NPC248758
0.7848 Intermediate Similarity NPC477289
0.7848 Intermediate Similarity NPC194937
0.7848 Intermediate Similarity NPC263974
0.7848 Intermediate Similarity NPC472865
0.7848 Intermediate Similarity NPC476038
0.7826 Intermediate Similarity NPC19311
0.7826 Intermediate Similarity NPC230047
0.7826 Intermediate Similarity NPC469791
0.7821 Intermediate Similarity NPC238991
0.7821 Intermediate Similarity NPC476984
0.7821 Intermediate Similarity NPC260956
0.7821 Intermediate Similarity NPC475395
0.7821 Intermediate Similarity NPC320514
0.7821 Intermediate Similarity NPC123880
0.7821 Intermediate Similarity NPC471159
0.7821 Intermediate Similarity NPC302661
0.7821 Intermediate Similarity NPC170985
0.7808 Intermediate Similarity NPC35656
0.7792 Intermediate Similarity NPC274522
0.7792 Intermediate Similarity NPC476265
0.7792 Intermediate Similarity NPC170038
0.7778 Intermediate Similarity NPC476409
0.7778 Intermediate Similarity NPC264005
0.7778 Intermediate Similarity NPC136948
0.7778 Intermediate Similarity NPC477926
0.7778 Intermediate Similarity NPC134197
0.7778 Intermediate Similarity NPC128644
0.7778 Intermediate Similarity NPC236618
0.7778 Intermediate Similarity NPC158141
0.7778 Intermediate Similarity NPC173089
0.7778 Intermediate Similarity NPC33768
0.7778 Intermediate Similarity NPC96496
0.7778 Intermediate Similarity NPC269360
0.7763 Intermediate Similarity NPC63020
0.775 Intermediate Similarity NPC65661
0.775 Intermediate Similarity NPC294438
0.775 Intermediate Similarity NPC29447
0.775 Intermediate Similarity NPC283733
0.775 Intermediate Similarity NPC76333
0.775 Intermediate Similarity NPC264317
0.775 Intermediate Similarity NPC474537
0.7733 Intermediate Similarity NPC899
0.7733 Intermediate Similarity NPC474316
0.7733 Intermediate Similarity NPC475744
0.7733 Intermediate Similarity NPC476985
0.7722 Intermediate Similarity NPC215893
0.7722 Intermediate Similarity NPC83569
0.7722 Intermediate Similarity NPC243347
0.7722 Intermediate Similarity NPC168188
0.7722 Intermediate Similarity NPC107253
0.7722 Intermediate Similarity NPC312480
0.7722 Intermediate Similarity NPC470015
0.7722 Intermediate Similarity NPC69279
0.7722 Intermediate Similarity NPC102197
0.7722 Intermediate Similarity NPC105803
0.7714 Intermediate Similarity NPC268736
0.7714 Intermediate Similarity NPC42060
0.7714 Intermediate Similarity NPC477931
0.7703 Intermediate Similarity NPC306928
0.7703 Intermediate Similarity NPC162164

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC36616 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
0.775 Intermediate Similarity NPD7520 Clinical (unspecified phase)
0.7564 Intermediate Similarity NPD4695 Discontinued
0.7465 Intermediate Similarity NPD4224 Phase 2
0.7432 Intermediate Similarity NPD6081 Approved
0.7412 Intermediate Similarity NPD8035 Phase 2
0.7412 Intermediate Similarity NPD8034 Phase 2
0.7412 Intermediate Similarity NPD7515 Phase 2
0.7381 Intermediate Similarity NPD7285 Clinical (unspecified phase)
0.7375 Intermediate Similarity NPD4752 Clinical (unspecified phase)
0.7326 Intermediate Similarity NPD6399 Phase 3
0.7284 Intermediate Similarity NPD4788 Approved
0.7241 Intermediate Similarity NPD7748 Approved
0.7195 Intermediate Similarity NPD4786 Approved
0.716 Intermediate Similarity NPD3667 Approved
0.716 Intermediate Similarity NPD4223 Phase 3
0.716 Intermediate Similarity NPD4221 Approved
0.7108 Intermediate Similarity NPD5329 Approved
0.7089 Intermediate Similarity NPD3617 Approved
0.7059 Intermediate Similarity NPD6672 Approved
0.7059 Intermediate Similarity NPD5737 Approved
0.7051 Intermediate Similarity NPD6117 Approved
0.7024 Intermediate Similarity NPD7521 Approved
0.7024 Intermediate Similarity NPD7334 Approved
0.7024 Intermediate Similarity NPD7146 Approved
0.7024 Intermediate Similarity NPD6684 Approved
0.7024 Intermediate Similarity NPD6409 Approved
0.7024 Intermediate Similarity NPD5330 Approved
0.7024 Intermediate Similarity NPD6098 Approved
0.7013 Intermediate Similarity NPD6113 Clinical (unspecified phase)
0.7011 Intermediate Similarity NPD5284 Approved
0.7011 Intermediate Similarity NPD5281 Approved
0.7 Intermediate Similarity NPD6083 Phase 2
0.7 Intermediate Similarity NPD7902 Approved
0.7 Intermediate Similarity NPD6084 Phase 2
0.6988 Remote Similarity NPD3133 Approved
0.6988 Remote Similarity NPD3665 Phase 1
0.6988 Remote Similarity NPD3666 Approved
0.6988 Remote Similarity NPD4197 Approved
0.6977 Remote Similarity NPD6904 Approved
0.6977 Remote Similarity NPD6673 Approved
0.6977 Remote Similarity NPD6080 Approved
0.6962 Remote Similarity NPD6116 Phase 1
0.6889 Remote Similarity NPD7614 Phase 1
0.6875 Remote Similarity NPD6115 Approved
0.6875 Remote Similarity NPD6697 Approved
0.6875 Remote Similarity NPD6118 Approved
0.6875 Remote Similarity NPD6114 Approved
0.686 Remote Similarity NPD6903 Approved
0.686 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6849 Remote Similarity NPD3171 Clinical (unspecified phase)
0.6824 Remote Similarity NPD4519 Discontinued
0.6824 Remote Similarity NPD3618 Phase 1
0.6824 Remote Similarity NPD4690 Approved
0.6824 Remote Similarity NPD4693 Phase 3
0.6824 Remote Similarity NPD4689 Approved
0.6824 Remote Similarity NPD4138 Approved
0.6824 Remote Similarity NPD5205 Approved
0.6824 Remote Similarity NPD4688 Approved
0.6824 Remote Similarity NPD3574 Clinical (unspecified phase)
0.6824 Remote Similarity NPD4623 Approved
0.6818 Remote Similarity NPD6411 Approved
0.68 Remote Similarity NPD5361 Clinical (unspecified phase)
0.68 Remote Similarity NPD5360 Phase 3
0.6786 Remote Similarity NPD3668 Phase 3
0.6782 Remote Similarity NPD4753 Phase 2
0.6782 Remote Similarity NPD5328 Approved
0.6778 Remote Similarity NPD5695 Phase 3
0.6744 Remote Similarity NPD3573 Approved
0.6739 Remote Similarity NPD5696 Approved
0.6709 Remote Similarity NPD3702 Approved
0.6667 Remote Similarity NPD5208 Approved
0.6667 Remote Similarity NPD7901 Clinical (unspecified phase)
0.6667 Remote Similarity NPD7900 Approved
0.6667 Remote Similarity NPD634 Phase 3
0.6667 Remote Similarity NPD5784 Clinical (unspecified phase)
0.6629 Remote Similarity NPD6079 Approved
0.6629 Remote Similarity NPD6050 Approved
0.6629 Remote Similarity NPD5693 Phase 1
0.6628 Remote Similarity NPD5280 Approved
0.6628 Remote Similarity NPD5279 Phase 3
0.6628 Remote Similarity NPD4694 Approved
0.6628 Remote Similarity NPD5690 Phase 2
0.6627 Remote Similarity NPD4139 Approved
0.6627 Remote Similarity NPD4692 Approved
0.6623 Remote Similarity NPD4789 Approved
0.6623 Remote Similarity NPD4245 Approved
0.6623 Remote Similarity NPD4244 Approved
0.6622 Remote Similarity NPD7341 Phase 2
0.6618 Remote Similarity NPD4266 Approved
0.6618 Remote Similarity NPD3729 Clinical (unspecified phase)
0.6618 Remote Similarity NPD3194 Approved
0.6618 Remote Similarity NPD615 Clinical (unspecified phase)
0.6618 Remote Similarity NPD3196 Approved
0.6618 Remote Similarity NPD3195 Phase 2
0.6593 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6591 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6591 Remote Similarity NPD6101 Approved
0.6567 Remote Similarity NPD3186 Phase 1
0.6559 Remote Similarity NPD7638 Approved
0.6538 Remote Similarity NPD4243 Approved
0.6538 Remote Similarity NPD4809 Clinical (unspecified phase)
0.6538 Remote Similarity NPD4808 Clinical (unspecified phase)
0.6538 Remote Similarity NPD5777 Approved
0.6533 Remote Similarity NPD7331 Phase 2
0.6517 Remote Similarity NPD5692 Phase 3
0.65 Remote Similarity NPD8039 Approved
0.6495 Remote Similarity NPD6402 Approved
0.6495 Remote Similarity NPD7128 Approved
0.6495 Remote Similarity NPD5739 Approved
0.6495 Remote Similarity NPD6675 Approved
0.6494 Remote Similarity NPD3698 Phase 2
0.6494 Remote Similarity NPD3700 Clinical (unspecified phase)
0.6494 Remote Similarity NPD3699 Clinical (unspecified phase)
0.6494 Remote Similarity NPD4137 Phase 3
0.6489 Remote Similarity NPD7640 Approved
0.6489 Remote Similarity NPD7639 Approved
0.6489 Remote Similarity NPD6404 Discontinued
0.6471 Remote Similarity NPD3172 Approved
0.6462 Remote Similarity NPD622 Approved
0.6444 Remote Similarity NPD5694 Approved
0.6429 Remote Similarity NPD857 Phase 3
0.6413 Remote Similarity NPD4629 Approved
0.6413 Remote Similarity NPD5210 Approved
0.641 Remote Similarity NPD4747 Approved
0.641 Remote Similarity NPD4691 Approved
0.6386 Remote Similarity NPD4195 Approved
0.6375 Remote Similarity NPD4784 Approved
0.6375 Remote Similarity NPD6926 Approved
0.6375 Remote Similarity NPD4785 Approved
0.6375 Remote Similarity NPD6924 Approved
0.6374 Remote Similarity NPD5779 Approved
0.6374 Remote Similarity NPD4202 Approved
0.6374 Remote Similarity NPD5778 Approved
0.6364 Remote Similarity NPD6881 Approved
0.6364 Remote Similarity NPD6899 Approved
0.6364 Remote Similarity NPD3621 Clinical (unspecified phase)
0.6364 Remote Similarity NPD7320 Approved
0.6364 Remote Similarity NPD6686 Approved
0.6344 Remote Similarity NPD7732 Phase 3
0.6344 Remote Similarity NPD5220 Clinical (unspecified phase)
0.6344 Remote Similarity NPD4697 Phase 3
0.6344 Remote Similarity NPD5222 Approved
0.6344 Remote Similarity NPD5221 Approved
0.6333 Remote Similarity NPD5207 Approved
0.6333 Remote Similarity NPD4096 Approved
0.6329 Remote Similarity NPD4758 Discontinued
0.631 Remote Similarity NPD5368 Approved
0.631 Remote Similarity NPD7525 Registered
0.6304 Remote Similarity NPD6001 Approved
0.63 Remote Similarity NPD6373 Approved
0.63 Remote Similarity NPD6372 Approved
0.6296 Remote Similarity NPD7339 Approved
0.6296 Remote Similarity NPD6942 Approved
0.6279 Remote Similarity NPD5362 Discontinued
0.6277 Remote Similarity NPD5173 Approved
0.6277 Remote Similarity NPD4755 Approved
0.6265 Remote Similarity NPD5364 Discontinued
0.6264 Remote Similarity NPD7637 Suspended
0.6263 Remote Similarity NPD5701 Approved
0.6263 Remote Similarity NPD5697 Approved
0.6238 Remote Similarity NPD7290 Approved
0.6238 Remote Similarity NPD7102 Approved
0.6238 Remote Similarity NPD6883 Approved
0.6235 Remote Similarity NPD5369 Approved
0.622 Remote Similarity NPD3701 Clinical (unspecified phase)
0.622 Remote Similarity NPD6933 Approved
0.6211 Remote Similarity NPD4225 Approved
0.62 Remote Similarity NPD6011 Approved
0.619 Remote Similarity NPD387 Clinical (unspecified phase)
0.619 Remote Similarity NPD7645 Phase 2
0.6176 Remote Similarity NPD6650 Approved
0.6176 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6176 Remote Similarity NPD8130 Phase 1
0.6176 Remote Similarity NPD6869 Approved
0.6176 Remote Similarity NPD6617 Approved
0.6176 Remote Similarity NPD28 Approved
0.6176 Remote Similarity NPD6649 Approved
0.6176 Remote Similarity NPD6847 Approved
0.6176 Remote Similarity NPD29 Approved
0.6173 Remote Similarity NPD4058 Approved
0.6173 Remote Similarity NPD5733 Approved
0.6164 Remote Similarity NPD3198 Approved
0.6163 Remote Similarity NPD6435 Approved
0.6163 Remote Similarity NPD4270 Approved
0.6163 Remote Similarity NPD4269 Approved
0.6146 Remote Similarity NPD4700 Approved
0.6146 Remote Similarity NPD5286 Approved
0.6146 Remote Similarity NPD4696 Approved
0.6146 Remote Similarity NPD5285 Approved
0.6139 Remote Similarity NPD6014 Approved
0.6139 Remote Similarity NPD6013 Approved
0.6139 Remote Similarity NPD6012 Approved
0.6125 Remote Similarity NPD5276 Approved
0.6122 Remote Similarity NPD6052 Approved
0.6117 Remote Similarity NPD8297 Approved
0.6117 Remote Similarity NPD6882 Approved
0.6111 Remote Similarity NPD4518 Approved
0.61 Remote Similarity NPD6412 Phase 2
0.6098 Remote Similarity NPD5275 Approved
0.6098 Remote Similarity NPD4190 Phase 3

Structure

External Identifiers

PubChem CID   12314311
ChEMBL   CHEMBL2048915
ZINC  

Physicochemical Properties

Molecular Weight:  336.23
ALogP:  1.1491
MLogP:  3.22
XLogP:  5.459
# Rotatable Bonds:  11
Polar Surface Area:  74.6
# H-Bond Aceptor:  4
# H-Bond Donor:  2
# Rings:  2
# Heavy Atoms:  24

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
Similar NPs/Drugs