Natural Product: NPC46610

Natural Product ID:  NPC46610
Common Name:   13-Epi-Cupressic Acid
IUPAC Name:   (1S,4aR,5S,8aR)-5-[(3S)-3-hydroxy-3-methylpent-4-enyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid
Synonyms:  
Molecular Formula:   C20H32O3
Standard InCHIKey:  LMODNMXJBXUOQF-MSJBJCGKSA-N
Standard InCHI:  InChI=1S/C20H32O3/c1-6-18(3,23)13-10-15-14(2)8-9-16-19(15,4)11-7-12-20(16,5)17(21)22/h6,15-16,23H,1-2,7-13H2,3-5H3,(H,21,22)/t15-,16+,18+,19+,20-/m0/s1
Canonical SMILES:  C=C[C@](CC[C@H]1C(=C)CC[C@@H]2[C@]1(C)CCC[C@]2(C)C(=O)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
NPO9704 Sonneratia caseolaris Species Lythraceae Eukaryota UNPD*
NPO10638 Plectranthus myrianthus Species Lamiaceae Eukaryota UNPD*
NPO13135 Campylotropis hirtella Species Fabaceae Eukaryota UNPD*
NPO9319 Pterocaulon virgatum Species Asteraceae Eukaryota UNPD*
NPO12205 Eucalyptus apodophylla Species Myrtaceae Eukaryota UNPD*
NPO8934 Gypsophila perfoliata Species Caryophyllaceae Eukaryota UNPD*
NPO865 Dendrobium loddigesii Species Orchidaceae Eukaryota UNPD*
NPO7822.1 Eucalyptus globulus subsp. bicostata Subspecies Myrtaceae Eukaryota UNPD*
NPO32847 fokienia hodginsii Species Cupressaceae Eukaryota Twigs and Leaves PMID[23691952]
NPO12091 Martensia denticulata Species Delesseriaceae Eukaryota UNPD*
NPO10922 Pentaclethra macrophylla Species Fabaceae Eukaryota UNPD*
NPO7773 Crinum moorei Species Amaryllidaceae Eukaryota UNPD*
NPO12565 Hypericum polyanthemum Species Hypericaceae Eukaryota UNPD*
NPO6731 Ononis spinosa Species Fabaceae Eukaryota UNPD*
NPO12796 Periploca sepium Species Apocynaceae Eukaryota UNPD*
NPO23384 Rhodiola semenovii Species Crassulaceae Eukaryota UNPD*
NPO6289 Ceropegia dichotoma Species Apocynaceae Eukaryota UNPD*
NPO21720 Talaromyces variabilis Species Trichocomaceae Eukaryota UNPD*
NPO5456 Juniperus drupacea Species Cupressaceae Eukaryota UNPD*
NPO11576 Glycosmis macrophylla Species Rutaceae Eukaryota UNPD*
NPO1815 Breonia chinensis Species Rubiaceae Eukaryota UNPD*
NPO22691 Mentha cardiaca Species Lamiaceae Eukaryota UNPD*
NPO3873 Crotalaria candicans Species Fabaceae Eukaryota UNPD*
NPO9532 Vernonia cistifolia Species Asteraceae Eukaryota UNPD*
NPO11843 Stephania zippeliana Species Menispermaceae Eukaryota UNPD*
NPO10605 Tristania conferta Species Myrtaceae Eukaryota UNPD*
NPO11190 Veronica polita Species Plantaginaceae Eukaryota UNPD*
NPO526 Salvia sessei Species Lamiaceae Eukaryota UNPD*
NPO5043 Eria japonica Species Orchidaceae Eukaryota UNPD*
NPO1257 Distephanus angulifolius Species Asteraceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT660 Cell Line SW480 Homo sapiens IC50 > 40000 nM 23691952
NPT83 Cell Line MCF7 Homo sapiens IC50 > 40000 nM 23691952
NPT81 Cell Line A549 Homo sapiens IC50 > 40000 nM 23691952
NPT659 Cell Line SMMC-7721 Homo sapiens IC50 > 40000 nM 23691952
NPT116 Cell Line HL-60 Homo sapiens IC50 > 40000 nM 23691952

  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 NPC46610 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 NPC18819
0.9178 High Similarity NPC179028
0.8986 High Similarity NPC290445
0.8986 High Similarity NPC36616
0.8919 High Similarity NPC247783
0.8919 High Similarity NPC269543
0.8767 High Similarity NPC476844
0.8767 High Similarity NPC39362
0.8732 High Similarity NPC91369
0.8732 High Similarity NPC235586
0.8667 High Similarity NPC239098
0.8649 High Similarity NPC104806
0.863 High Similarity NPC237591
0.863 High Similarity NPC183503
0.863 High Similarity NPC283908
0.863 High Similarity NPC255168
0.863 High Similarity NPC103958
0.863 High Similarity NPC161923
0.863 High Similarity NPC3753
0.8611 High Similarity NPC72343
0.8608 High Similarity NPC269638
0.8553 High Similarity NPC476438
0.8553 High Similarity NPC192999
0.8553 High Similarity NPC231431
0.8533 High Similarity NPC66105
0.8533 High Similarity NPC61952
0.8514 High Similarity NPC192540
0.8514 High Similarity NPC279666
0.8493 Intermediate Similarity NPC36310
0.8493 Intermediate Similarity NPC177826
0.8462 Intermediate Similarity NPC123880
0.8462 Intermediate Similarity NPC471159
0.8442 Intermediate Similarity NPC37038
0.8429 Intermediate Similarity NPC103734
0.8421 Intermediate Similarity NPC471409
0.8421 Intermediate Similarity NPC321514
0.8421 Intermediate Similarity NPC321690
0.8421 Intermediate Similarity NPC275494
0.8421 Intermediate Similarity NPC198240
0.84 Intermediate Similarity NPC69143
0.84 Intermediate Similarity NPC20466
0.8395 Intermediate Similarity NPC128644
0.8382 Intermediate Similarity NPC41160
0.8378 Intermediate Similarity NPC241854
0.8378 Intermediate Similarity NPC476046
0.8378 Intermediate Similarity NPC251970
0.8356 Intermediate Similarity NPC160817
0.8333 Intermediate Similarity NPC142244
0.8333 Intermediate Similarity NPC20096
0.8333 Intermediate Similarity NPC48673
0.8312 Intermediate Similarity NPC263951
0.8289 Intermediate Similarity NPC471897
0.8289 Intermediate Similarity NPC107039
0.8289 Intermediate Similarity NPC97377
0.8289 Intermediate Similarity NPC471899
0.8289 Intermediate Similarity NPC165711
0.8272 Intermediate Similarity NPC472869
0.8267 Intermediate Similarity NPC476795
0.8243 Intermediate Similarity NPC330659
0.8243 Intermediate Similarity NPC244708
0.8243 Intermediate Similarity NPC161187
0.8243 Intermediate Similarity NPC472813
0.8193 Intermediate Similarity NPC262043
0.8182 Intermediate Similarity NPC110094
0.8182 Intermediate Similarity NPC280654
0.8182 Intermediate Similarity NPC260385
0.8171 Intermediate Similarity NPC476409
0.8171 Intermediate Similarity NPC136948
0.8169 Intermediate Similarity NPC476406
0.8158 Intermediate Similarity NPC476601
0.8158 Intermediate Similarity NPC89294
0.8158 Intermediate Similarity NPC246445
0.8133 Intermediate Similarity NPC166797
0.8133 Intermediate Similarity NPC162164
0.8125 Intermediate Similarity NPC472740
0.8101 Intermediate Similarity NPC162632
0.8101 Intermediate Similarity NPC229584
0.8101 Intermediate Similarity NPC471898
0.8101 Intermediate Similarity NPC232625
0.8101 Intermediate Similarity NPC278459
0.8101 Intermediate Similarity NPC40228
0.8101 Intermediate Similarity NPC14203
0.8101 Intermediate Similarity NPC147066
0.8101 Intermediate Similarity NPC263272
0.8101 Intermediate Similarity NPC267691
0.8101 Intermediate Similarity NPC327002
0.8101 Intermediate Similarity NPC274050
0.8077 Intermediate Similarity NPC192744
0.8077 Intermediate Similarity NPC199595
0.8077 Intermediate Similarity NPC477371
0.8077 Intermediate Similarity NPC158846
0.8077 Intermediate Similarity NPC16394
0.8072 Intermediate Similarity NPC472870
0.8072 Intermediate Similarity NPC117122
0.8052 Intermediate Similarity NPC476608
0.8052 Intermediate Similarity NPC474433
0.8052 Intermediate Similarity NPC68828
0.8052 Intermediate Similarity NPC132542
0.8052 Intermediate Similarity NPC212661
0.8052 Intermediate Similarity NPC471035
0.8049 Intermediate Similarity NPC82979
0.8049 Intermediate Similarity NPC475007
0.8026 Intermediate Similarity NPC201027
0.8025 Intermediate Similarity NPC194937
0.8025 Intermediate Similarity NPC165064
0.8025 Intermediate Similarity NPC156981
0.8025 Intermediate Similarity NPC19849
0.8025 Intermediate Similarity NPC476038
0.8025 Intermediate Similarity NPC472864
0.8025 Intermediate Similarity NPC263974
0.8 Intermediate Similarity NPC170985
0.8 Intermediate Similarity NPC475395
0.8 Intermediate Similarity NPC238991
0.8 Intermediate Similarity NPC35656
0.8 Intermediate Similarity NPC251779
0.8 Intermediate Similarity NPC474605
0.8 Intermediate Similarity NPC302661
0.8 Intermediate Similarity NPC476292
0.8 Intermediate Similarity NPC476984
0.8 Intermediate Similarity NPC69101
0.7975 Intermediate Similarity NPC104545
0.7973 Intermediate Similarity NPC163020
0.7952 Intermediate Similarity NPC236618
0.7949 Intermediate Similarity NPC476986
0.7949 Intermediate Similarity NPC59436
0.7949 Intermediate Similarity NPC470905
0.7927 Intermediate Similarity NPC283733
0.7927 Intermediate Similarity NPC471344
0.7927 Intermediate Similarity NPC29447
0.7927 Intermediate Similarity NPC474537
0.7922 Intermediate Similarity NPC180886
0.7922 Intermediate Similarity NPC309399
0.7901 Intermediate Similarity NPC477852
0.7901 Intermediate Similarity NPC107253
0.7901 Intermediate Similarity NPC215893
0.7901 Intermediate Similarity NPC167103
0.7901 Intermediate Similarity NPC97913
0.7901 Intermediate Similarity NPC477373
0.7901 Intermediate Similarity NPC243347
0.7901 Intermediate Similarity NPC70834
0.7901 Intermediate Similarity NPC310470
0.7901 Intermediate Similarity NPC312480
0.7895 Intermediate Similarity NPC301065
0.7895 Intermediate Similarity NPC38426
0.7882 Intermediate Similarity NPC472866
0.7875 Intermediate Similarity NPC201912
0.7875 Intermediate Similarity NPC221647
0.7875 Intermediate Similarity NPC477372
0.7875 Intermediate Similarity NPC90055
0.7875 Intermediate Similarity NPC38350
0.7867 Intermediate Similarity NPC133253
0.7857 Intermediate Similarity NPC48107
0.7857 Intermediate Similarity NPC104560
0.7848 Intermediate Similarity NPC327674
0.7848 Intermediate Similarity NPC215843
0.7838 Intermediate Similarity NPC9942
0.7831 Intermediate Similarity NPC476104
0.7831 Intermediate Similarity NPC186975
0.7831 Intermediate Similarity NPC324063
0.7831 Intermediate Similarity NPC73038
0.7831 Intermediate Similarity NPC70661
0.7831 Intermediate Similarity NPC187545
0.7831 Intermediate Similarity NPC322159
0.7821 Intermediate Similarity NPC469867
0.7821 Intermediate Similarity NPC238227
0.7821 Intermediate Similarity NPC257666
0.7821 Intermediate Similarity NPC266193
0.7808 Intermediate Similarity NPC263161
0.7808 Intermediate Similarity NPC469868
0.7805 Intermediate Similarity NPC164577
0.7805 Intermediate Similarity NPC248758
0.7805 Intermediate Similarity NPC96095
0.7805 Intermediate Similarity NPC130966
0.7805 Intermediate Similarity NPC476412
0.7805 Intermediate Similarity NPC472865
0.7791 Intermediate Similarity NPC473986
0.7791 Intermediate Similarity NPC474018
0.7791 Intermediate Similarity NPC204341
0.7778 Intermediate Similarity NPC133391
0.7778 Intermediate Similarity NPC320514
0.7778 Intermediate Similarity NPC230047
0.7778 Intermediate Similarity NPC19311
0.7778 Intermediate Similarity NPC260956
0.7778 Intermediate Similarity NPC145143
0.7765 Intermediate Similarity NPC36668
0.7765 Intermediate Similarity NPC281524
0.7765 Intermediate Similarity NPC66344
0.7765 Intermediate Similarity NPC118011
0.7763 Intermediate Similarity NPC279241
0.775 Intermediate Similarity NPC476809
0.775 Intermediate Similarity NPC477057
0.7738 Intermediate Similarity NPC231599
0.7738 Intermediate Similarity NPC171722
0.7722 Intermediate Similarity NPC476810
0.7722 Intermediate Similarity NPC297996
0.7722 Intermediate Similarity NPC74410
0.7701 Intermediate Similarity NPC476416
0.7701 Intermediate Similarity NPC472871
0.7692 Intermediate Similarity NPC263582
0.7683 Intermediate Similarity NPC69279

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC46610 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
0.7619 Intermediate Similarity NPD4519 Discontinued
0.7619 Intermediate Similarity NPD4623 Approved
0.75 Intermediate Similarity NPD7520 Clinical (unspecified phase)
0.7349 Intermediate Similarity NPD4221 Approved
0.7349 Intermediate Similarity NPD4223 Phase 3
0.7317 Intermediate Similarity NPD4695 Discontinued
0.7294 Intermediate Similarity NPD5329 Approved
0.7262 Intermediate Similarity NPD4788 Approved
0.7209 Intermediate Similarity NPD6098 Approved
0.72 Intermediate Similarity NPD4224 Phase 2
0.7191 Intermediate Similarity NPD5281 Approved
0.7191 Intermediate Similarity NPD5284 Approved
0.7191 Intermediate Similarity NPD7515 Phase 2
0.7176 Intermediate Similarity NPD4197 Approved
0.7176 Intermediate Similarity NPD4786 Approved
0.7159 Intermediate Similarity NPD7285 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD4752 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD3667 Approved
0.7126 Intermediate Similarity NPD3573 Approved
0.7111 Intermediate Similarity NPD6399 Phase 3
0.7073 Intermediate Similarity NPD5784 Clinical (unspecified phase)
0.7033 Intermediate Similarity NPD7748 Approved
0.7011 Intermediate Similarity NPD4693 Phase 3
0.7011 Intermediate Similarity NPD4689 Approved
0.7011 Intermediate Similarity NPD4138 Approved
0.7011 Intermediate Similarity NPD7521 Approved
0.7011 Intermediate Similarity NPD7334 Approved
0.7011 Intermediate Similarity NPD4690 Approved
0.7011 Intermediate Similarity NPD5690 Phase 2
0.7011 Intermediate Similarity NPD5205 Approved
0.7011 Intermediate Similarity NPD4688 Approved
0.7011 Intermediate Similarity NPD6409 Approved
0.7011 Intermediate Similarity NPD7146 Approved
0.7011 Intermediate Similarity NPD6684 Approved
0.7011 Intermediate Similarity NPD5330 Approved
0.7 Intermediate Similarity NPD8034 Phase 2
0.7 Intermediate Similarity NPD8035 Phase 2
0.6989 Remote Similarity NPD6084 Phase 2
0.6989 Remote Similarity NPD6083 Phase 2
0.6977 Remote Similarity NPD3666 Approved
0.6977 Remote Similarity NPD3133 Approved
0.6977 Remote Similarity NPD3665 Phase 1
0.6966 Remote Similarity NPD6080 Approved
0.6966 Remote Similarity NPD6904 Approved
0.6966 Remote Similarity NPD6673 Approved
0.6962 Remote Similarity NPD6081 Approved
0.6867 Remote Similarity NPD3617 Approved
0.6854 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6854 Remote Similarity NPD6672 Approved
0.6854 Remote Similarity NPD5737 Approved
0.6854 Remote Similarity NPD6903 Approved
0.6854 Remote Similarity NPD5208 Approved
0.6818 Remote Similarity NPD3618 Phase 1
0.6818 Remote Similarity NPD3574 Clinical (unspecified phase)
0.6818 Remote Similarity NPD4694 Approved
0.6818 Remote Similarity NPD5280 Approved
0.6813 Remote Similarity NPD6411 Approved
0.6813 Remote Similarity NPD6079 Approved
0.6813 Remote Similarity NPD5693 Phase 1
0.6809 Remote Similarity NPD7902 Approved
0.6795 Remote Similarity NPD5361 Clinical (unspecified phase)
0.6795 Remote Similarity NPD5360 Phase 3
0.679 Remote Similarity NPD4784 Approved
0.679 Remote Similarity NPD4785 Approved
0.679 Remote Similarity NPD6113 Clinical (unspecified phase)
0.6786 Remote Similarity NPD4195 Approved
0.6778 Remote Similarity NPD4753 Phase 2
0.6778 Remote Similarity NPD5328 Approved
0.6774 Remote Similarity NPD5695 Phase 3
0.6753 Remote Similarity NPD7331 Phase 2
0.675 Remote Similarity NPD4243 Approved
0.6739 Remote Similarity NPD5778 Approved
0.6739 Remote Similarity NPD5779 Approved
0.6737 Remote Similarity NPD5696 Approved
0.6707 Remote Similarity NPD3702 Approved
0.6707 Remote Similarity NPD8039 Approved
0.6703 Remote Similarity NPD5207 Approved
0.6702 Remote Similarity NPD7614 Phase 1
0.6667 Remote Similarity NPD7639 Approved
0.6667 Remote Similarity NPD6404 Discontinued
0.6667 Remote Similarity NPD5362 Discontinued
0.6667 Remote Similarity NPD7640 Approved
0.663 Remote Similarity NPD7637 Suspended
0.663 Remote Similarity NPD5694 Approved
0.663 Remote Similarity NPD6050 Approved
0.6629 Remote Similarity NPD5279 Phase 3
0.6628 Remote Similarity NPD4139 Approved
0.6628 Remote Similarity NPD4692 Approved
0.6627 Remote Similarity NPD6117 Approved
0.6623 Remote Similarity NPD3171 Clinical (unspecified phase)
0.6623 Remote Similarity NPD7341 Phase 2
0.662 Remote Similarity NPD4266 Approved
0.662 Remote Similarity NPD3196 Approved
0.662 Remote Similarity NPD3194 Approved
0.662 Remote Similarity NPD3195 Phase 2
0.6596 Remote Similarity NPD5210 Approved
0.6596 Remote Similarity NPD4629 Approved
0.6596 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6593 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6593 Remote Similarity NPD6101 Approved
0.6591 Remote Similarity NPD3668 Phase 3
0.6585 Remote Similarity NPD6926 Approved
0.6585 Remote Similarity NPD6924 Approved
0.6562 Remote Similarity NPD7638 Approved
0.6559 Remote Similarity NPD4202 Approved
0.6552 Remote Similarity NPD4270 Approved
0.6552 Remote Similarity NPD4269 Approved
0.6548 Remote Similarity NPD6116 Phase 1
0.6535 Remote Similarity NPD6899 Approved
0.6535 Remote Similarity NPD6881 Approved
0.6531 Remote Similarity NPD5211 Phase 2
0.6522 Remote Similarity NPD4096 Approved
0.6522 Remote Similarity NPD5692 Phase 3
0.6512 Remote Similarity NPD6931 Approved
0.6512 Remote Similarity NPD4819 Approved
0.6512 Remote Similarity NPD4821 Approved
0.6512 Remote Similarity NPD6930 Phase 2
0.6512 Remote Similarity NPD4822 Approved
0.6512 Remote Similarity NPD4820 Approved
0.65 Remote Similarity NPD6402 Approved
0.65 Remote Similarity NPD5739 Approved
0.65 Remote Similarity NPD7128 Approved
0.65 Remote Similarity NPD6675 Approved
0.65 Remote Similarity NPD4137 Phase 3
0.6489 Remote Similarity NPD7900 Approved
0.6489 Remote Similarity NPD7901 Clinical (unspecified phase)
0.6489 Remote Similarity NPD6001 Approved
0.6484 Remote Similarity NPD4518 Approved
0.6479 Remote Similarity NPD3172 Approved
0.6477 Remote Similarity NPD7154 Phase 3
0.6471 Remote Similarity NPD622 Approved
0.6471 Remote Similarity NPD7322 Clinical (unspecified phase)
0.6471 Remote Similarity NPD6115 Approved
0.6471 Remote Similarity NPD6697 Approved
0.6471 Remote Similarity NPD6114 Approved
0.6471 Remote Similarity NPD6118 Approved
0.6437 Remote Similarity NPD5369 Approved
0.6436 Remote Similarity NPD5697 Approved
0.6429 Remote Similarity NPD6933 Approved
0.642 Remote Similarity NPD4789 Approved
0.642 Remote Similarity NPD4747 Approved
0.642 Remote Similarity NPD4245 Approved
0.642 Remote Similarity NPD4244 Approved
0.642 Remote Similarity NPD4691 Approved
0.6408 Remote Similarity NPD7102 Approved
0.6408 Remote Similarity NPD6883 Approved
0.6408 Remote Similarity NPD7290 Approved
0.64 Remote Similarity NPD5141 Approved
0.6395 Remote Similarity NPD6929 Approved
0.6392 Remote Similarity NPD4225 Approved
0.6389 Remote Similarity NPD615 Clinical (unspecified phase)
0.6386 Remote Similarity NPD4058 Approved
0.6375 Remote Similarity NPD3621 Clinical (unspecified phase)
0.6373 Remote Similarity NPD6686 Approved
0.6373 Remote Similarity NPD5345 Clinical (unspecified phase)
0.6373 Remote Similarity NPD7320 Approved
0.6373 Remote Similarity NPD6011 Approved
0.6355 Remote Similarity NPD7115 Discovery
0.6354 Remote Similarity NPD5221 Approved
0.6354 Remote Similarity NPD5220 Clinical (unspecified phase)
0.6354 Remote Similarity NPD5222 Approved
0.6346 Remote Similarity NPD6847 Approved
0.6346 Remote Similarity NPD6649 Approved
0.6346 Remote Similarity NPD8130 Phase 1
0.6346 Remote Similarity NPD6617 Approved
0.6346 Remote Similarity NPD6650 Approved
0.6346 Remote Similarity NPD6869 Approved
0.6344 Remote Similarity NPD5785 Approved
0.6341 Remote Similarity NPD4808 Clinical (unspecified phase)
0.6341 Remote Similarity NPD4809 Clinical (unspecified phase)
0.6341 Remote Similarity NPD5777 Approved
0.6341 Remote Similarity NPD4758 Discontinued
0.6333 Remote Similarity NPD5363 Approved
0.6333 Remote Similarity NPD1694 Approved
0.6327 Remote Similarity NPD5286 Approved
0.6327 Remote Similarity NPD4696 Approved
0.6327 Remote Similarity NPD5285 Approved
0.6322 Remote Similarity NPD7525 Registered
0.6322 Remote Similarity NPD4252 Approved
0.6322 Remote Similarity NPD7332 Phase 2
0.6322 Remote Similarity NPD7514 Phase 3
0.6322 Remote Similarity NPD5368 Approved
0.6311 Remote Similarity NPD6013 Approved
0.6311 Remote Similarity NPD6373 Approved
0.6311 Remote Similarity NPD6014 Approved
0.6311 Remote Similarity NPD6372 Approved
0.6311 Remote Similarity NPD6012 Approved
0.631 Remote Similarity NPD8264 Approved
0.631 Remote Similarity NPD5275 Approved
0.631 Remote Similarity NPD4190 Phase 3
0.631 Remote Similarity NPD7339 Approved
0.631 Remote Similarity NPD6942 Approved
0.6296 Remote Similarity NPD3698 Phase 2
0.6296 Remote Similarity NPD3700 Clinical (unspecified phase)
0.6296 Remote Similarity NPD3699 Clinical (unspecified phase)
0.6292 Remote Similarity NPD6695 Phase 3
0.6292 Remote Similarity NPD5332 Approved
0.6292 Remote Similarity NPD5331 Approved
0.6289 Remote Similarity NPD4755 Approved
0.6289 Remote Similarity NPD5173 Approved

Structure

External Identifiers

PubChem CID   73356501
ChEMBL   CHEMBL2385457
ZINC  

Physicochemical Properties

Molecular Weight:  320.24
ALogP:  1.6225
MLogP:  3.33
XLogP:  4.75
# Rotatable Bonds:  10
Polar Surface Area:  57.53
# H-Bond Aceptor:  3
# H-Bond Donor:  2
# Rings:  2
# Heavy Atoms:  23

Download Data

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