Natural Product: NPC140688

Natural Product ID:  NPC140688
Common Name:   Isoegomaketone
IUPAC Name:   (E)-1-(furan-3-yl)-4-methylpent-2-en-1-one
Synonyms:  
Molecular Formula:   C10H12O2
Standard InCHIKey:  XEYCZVQIOJGCNL-ONEGZZNKSA-N
Standard InCHI:  InChI=1S/C10H12O2/c1-8(2)3-4-10(11)9-5-6-12-7-9/h3-8H,1-2H3/b4-3+
Canonical SMILES:  CC(/C=C/C(=O)c1cocc1)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
NPO13467 Anarsia lineatella Species Gelechiidae Eukaryota UNPD*
NPO8068 Blumea mollis Species Asteraceae Eukaryota UNPD*
NPO5191 Penicillium cinerascens Species Aspergillaceae Eukaryota UNPD*
NPO11179 Isodon ternifolius Species Lamiaceae Eukaryota HerDing*
NPO6473.1 Perilla frutescens var. acuta Varieties Lamiaceae Eukaryota HerDing*
NPO8650.1 Perilla frutescens var. arguta Varieties Lamiaceae Eukaryota HerDing*
NPO8650.3 Perilla frutescens (l.) britt. var. crispa (thunb.) hand.-mazz. Varieties Lamiaceae Eukaryota TCM_Taiwan*
NPO8650 Perilla frutescens Species Lamiaceae Eukaryota TM-MC*
NPO11179 Isodon ternifolius Species Lamiaceae Eukaryota TCMID*
NPO6473.1 Perilla frutescens var. acuta Varieties Lamiaceae Eukaryota TCMID*
NPO8650.1 Perilla frutescens var. arguta Varieties Lamiaceae Eukaryota TCMID*
NPO13766 Ceanothus velutinus Species Rhamnaceae Eukaryota UNPD*
NPO8650 Perilla frutescens Species Lamiaceae Eukaryota UNPD*
NPO4004 Aquilegia ecalcarata Species Ranunculaceae Eukaryota UNPD*
NPO14162 Chlorophytum borivilianum Species Asparagaceae Eukaryota UNPD*
NPO14057 Apollonias barbujana Species Lauraceae Eukaryota UNPD*
NPO11492 Kopsia grandifolia Species Apocynaceae Eukaryota UNPD*
NPO205 Lasianthus fordii Species Rubiaceae Eukaryota UNPD*
NPO10550 Artemisia hanseniana Species Asteraceae Eukaryota UNPD*
NPO14358 Rhodobacter sphaeroides Species Rhodobacteraceae Bacteria UNPD*
NPO16703 Isodon lophanthoides Species Lamiaceae Eukaryota UNPD*
NPO13968 Garcinia scortechinii Species Clusiaceae Eukaryota UNPD*
NPO12509 Dipterocarpus dyeri Species Dipterocarpaceae Eukaryota UNPD*
NPO13014 Ipomoea cairica Species Convolvulaceae Eukaryota UNPD*
NPO8892 Sordaria araneosa Species Sordariaceae Eukaryota UNPD*
NPO12357 Lycopus europaeus Species Lamiaceae Eukaryota UNPD*
NPO7016 Gardenia tubifera Species Rubiaceae Eukaryota UNPD*
NPO11998 Ledebouria socialis Species Hyacinthaceae Eukaryota UNPD*
NPO3465 Aconitum leucostomum Species Ranunculaceae Eukaryota UNPD*
NPO746 Panax innovans Species Araliaceae Eukaryota UNPD*
NPO1795 Fragaria vesca Species Rosaceae Eukaryota UNPD*
NPO4671 Persea mexicana Species Lauraceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified Activity = 10.1 % 25320841
NPT2 Others Unspecified Activity = 18 % 25320841
NPT2 Others Unspecified Activity = 14.4 % 25320841
NPT2 Others Unspecified Ratio = 0.3 25320841
NPT2 Others Unspecified Ratio = 0.5 25320841
NPT2 Others Unspecified Ratio = 0.4 25320841
NPT2 Others Unspecified Ratio = 1.8 25320841
NPT2 Others Unspecified Ratio = 1.2 25320841
NPT2 Others Unspecified Ratio = 0.8 25320841
NPT2 Others Unspecified Ratio = 1 25320841
NPT2 Others Unspecified Ratio = 1.5 25320841
NPT2 Others Unspecified Ratio = 0.7 25320841
NPT2 Others Unspecified Ratio = 1.1 25320841
NPT2 Others Unspecified Ratio = 0.9 25320841
NPT2 Others Unspecified Ratio = 1.3 25320841
NPT2 Others Unspecified Activity = 14.3 % 25320841
NPT2 Others Unspecified Ratio = 2 25320841
NPT2 Others Unspecified Ratio = 2.3 25320841
NPT2 Others Unspecified Ratio = 2.4 25320841
NPT2 Others Unspecified Ratio = 1.4 25320841
NPT2 Others Unspecified Ratio = 2.2 25320841
NPT2 Others Unspecified Ratio = 1.6 25320841
NPT2 Others Unspecified Activity = 2 % 25320841
NPT2 Others Unspecified Activity = 2.9 % 25320841
NPT2 Others Unspecified Activity = 2.5 % 25320841

  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 NPC140688 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
0.9167 High Similarity NPC45536
0.8596 High Similarity NPC79557
0.8584 High Similarity NPC67345
0.8584 High Similarity NPC244862
0.8362 Intermediate Similarity NPC174915
0.8362 Intermediate Similarity NPC270807
0.8283 Intermediate Similarity NPC160294
0.8276 Intermediate Similarity NPC1848
0.8257 Intermediate Similarity NPC471521
0.8257 Intermediate Similarity NPC473356
0.8205 Intermediate Similarity NPC263870
0.8182 Intermediate Similarity NPC177331
0.8087 Intermediate Similarity NPC131801
0.8077 Intermediate Similarity NPC146316
0.807 Intermediate Similarity NPC28054
0.8036 Intermediate Similarity NPC105249
0.7982 Intermediate Similarity NPC292036
0.7965 Intermediate Similarity NPC1811
0.7965 Intermediate Similarity NPC26157
0.7949 Intermediate Similarity NPC473969
0.7944 Intermediate Similarity NPC156768
0.792 Intermediate Similarity NPC470740
0.7863 Intermediate Similarity NPC187547
0.7863 Intermediate Similarity NPC21831
0.7863 Intermediate Similarity NPC243704
0.7778 Intermediate Similarity NPC208906
0.7778 Intermediate Similarity NPC144745
0.7759 Intermediate Similarity NPC150895
0.7759 Intermediate Similarity NPC205523
0.7748 Intermediate Similarity NPC42471
0.7734 Intermediate Similarity NPC146872
0.7731 Intermediate Similarity NPC474817
0.7724 Intermediate Similarity NPC184391
0.7714 Intermediate Similarity NPC233791
0.7706 Intermediate Similarity NPC217226
0.7674 Intermediate Similarity NPC42400
0.7667 Intermediate Similarity NPC474136
0.7647 Intermediate Similarity NPC4898
0.7627 Intermediate Similarity NPC217180
0.7627 Intermediate Similarity NPC312525
0.7623 Intermediate Similarity NPC65735
0.7623 Intermediate Similarity NPC188377
0.7623 Intermediate Similarity NPC118853
0.7619 Intermediate Similarity NPC136340
0.7615 Intermediate Similarity NPC236532
0.7603 Intermediate Similarity NPC289911
0.7603 Intermediate Similarity NPC283284
0.7581 Intermediate Similarity NPC95567
0.7581 Intermediate Similarity NPC319140
0.7541 Intermediate Similarity NPC476351
0.7541 Intermediate Similarity NPC475818
0.754 Intermediate Similarity NPC21460
0.7522 Intermediate Similarity NPC219969
0.75 Intermediate Similarity NPC474407
0.75 Intermediate Similarity NPC22678
0.75 Intermediate Similarity NPC474426
0.75 Intermediate Similarity NPC474425
0.7478 Intermediate Similarity NPC229387
0.7459 Intermediate Similarity NPC471549
0.7459 Intermediate Similarity NPC477967
0.7459 Intermediate Similarity NPC317217
0.7459 Intermediate Similarity NPC473379
0.7442 Intermediate Similarity NPC106247
0.7436 Intermediate Similarity NPC53953
0.7419 Intermediate Similarity NPC71274
0.7419 Intermediate Similarity NPC471074
0.7419 Intermediate Similarity NPC474829
0.7419 Intermediate Similarity NPC75557
0.7419 Intermediate Similarity NPC473885
0.7417 Intermediate Similarity NPC206007
0.7402 Intermediate Similarity NPC45947
0.7398 Intermediate Similarity NPC16922
0.7388 Intermediate Similarity NPC52412
0.7388 Intermediate Similarity NPC473152
0.7385 Intermediate Similarity NPC159786
0.7383 Intermediate Similarity NPC265461
0.7373 Intermediate Similarity NPC252004
0.736 Intermediate Similarity NPC329694
0.736 Intermediate Similarity NPC474260
0.736 Intermediate Similarity NPC81912
0.736 Intermediate Similarity NPC329922
0.736 Intermediate Similarity NPC216810
0.7355 Intermediate Similarity NPC137710
0.7339 Intermediate Similarity NPC477038
0.7339 Intermediate Similarity NPC243269
0.7339 Intermediate Similarity NPC477965
0.7333 Intermediate Similarity NPC227660
0.7302 Intermediate Similarity NPC474830
0.7302 Intermediate Similarity NPC141059
0.7302 Intermediate Similarity NPC476016
0.7302 Intermediate Similarity NPC137570
0.7287 Intermediate Similarity NPC471817
0.728 Intermediate Similarity NPC179354
0.728 Intermediate Similarity NPC471559
0.7273 Intermediate Similarity NPC87466
0.7273 Intermediate Similarity NPC473268
0.7265 Intermediate Similarity NPC54626
0.7252 Intermediate Similarity NPC158525
0.7252 Intermediate Similarity NPC92941
0.725 Intermediate Similarity NPC59035
0.725 Intermediate Similarity NPC476014
0.725 Intermediate Similarity NPC79202
0.725 Intermediate Similarity NPC476031
0.725 Intermediate Similarity NPC316062
0.7244 Intermediate Similarity NPC474279
0.7244 Intermediate Similarity NPC474438
0.7241 Intermediate Similarity NPC209111
0.7236 Intermediate Similarity NPC115859
0.7231 Intermediate Similarity NPC471006
0.7222 Intermediate Similarity NPC83301
0.7222 Intermediate Similarity NPC138139
0.7222 Intermediate Similarity NPC46536
0.7222 Intermediate Similarity NPC23086
0.7222 Intermediate Similarity NPC74612
0.7218 Intermediate Similarity NPC220094
0.7218 Intermediate Similarity NPC476943
0.7218 Intermediate Similarity NPC472376
0.7218 Intermediate Similarity NPC177262
0.7209 Intermediate Similarity NPC298190
0.7197 Intermediate Similarity NPC46896
0.7188 Intermediate Similarity NPC59502
0.7176 Intermediate Similarity NPC200718
0.7174 Intermediate Similarity NPC276676
0.7172 Intermediate Similarity NPC225539
0.7167 Intermediate Similarity NPC11821
0.7165 Intermediate Similarity NPC471501
0.7165 Intermediate Similarity NPC473355
0.7165 Intermediate Similarity NPC471554
0.7165 Intermediate Similarity NPC471573
0.7165 Intermediate Similarity NPC83178
0.7164 Intermediate Similarity NPC474615
0.7154 Intermediate Similarity NPC473982
0.7143 Intermediate Similarity NPC470742
0.7143 Intermediate Similarity NPC310830
0.713 Intermediate Similarity NPC298087
0.7122 Intermediate Similarity NPC10088
0.7119 Intermediate Similarity NPC57879
0.7119 Intermediate Similarity NPC277525
0.7109 Intermediate Similarity NPC477040
0.7109 Intermediate Similarity NPC477123
0.7109 Intermediate Similarity NPC477039
0.7109 Intermediate Similarity NPC477966
0.7109 Intermediate Similarity NPC112706
0.7109 Intermediate Similarity NPC476917
0.7109 Intermediate Similarity NPC327527
0.7109 Intermediate Similarity NPC207294
0.7107 Intermediate Similarity NPC76844
0.7107 Intermediate Similarity NPC474987
0.7101 Intermediate Similarity NPC195920
0.7097 Intermediate Similarity NPC97566
0.708 Intermediate Similarity NPC267632
0.7077 Intermediate Similarity NPC477645
0.7077 Intermediate Similarity NPC475092
0.7077 Intermediate Similarity NPC61788
0.7077 Intermediate Similarity NPC17681
0.705 Intermediate Similarity NPC233763
0.705 Intermediate Similarity NPC475864
0.7049 Intermediate Similarity NPC217423
0.7045 Intermediate Similarity NPC288209
0.704 Intermediate Similarity NPC314329
0.7029 Intermediate Similarity NPC117674
0.7029 Intermediate Similarity NPC142113
0.7029 Intermediate Similarity NPC471646
0.7029 Intermediate Similarity NPC471647
0.7023 Intermediate Similarity NPC97740
0.7023 Intermediate Similarity NPC45358
0.7016 Intermediate Similarity NPC230951
0.7015 Intermediate Similarity NPC186626
0.7 Intermediate Similarity NPC279916
0.7 Intermediate Similarity NPC476925
0.7 Intermediate Similarity NPC224418
0.7 Intermediate Similarity NPC311987
0.6992 Remote Similarity NPC32298
0.6992 Remote Similarity NPC254958
0.6992 Remote Similarity NPC14650
0.6992 Remote Similarity NPC291619
0.6978 Remote Similarity NPC27798
0.6978 Remote Similarity NPC93241
0.6977 Remote Similarity NPC279877
0.697 Remote Similarity NPC218838
0.6963 Remote Similarity NPC471653
0.6957 Remote Similarity NPC254198
0.6953 Remote Similarity NPC224657
0.6953 Remote Similarity NPC52035
0.6953 Remote Similarity NPC470858
0.695 Remote Similarity NPC471618
0.695 Remote Similarity NPC474220
0.695 Remote Similarity NPC474255
0.6947 Remote Similarity NPC89133
0.6935 Remote Similarity NPC54243
0.6935 Remote Similarity NPC35744
0.6934 Remote Similarity NPC205765
0.6929 Remote Similarity NPC141252
0.6929 Remote Similarity NPC11799
0.6923 Remote Similarity NPC50583
0.6912 Remote Similarity NPC265181
0.6912 Remote Similarity NPC233707
0.6911 Remote Similarity NPC212918
0.6901 Remote Similarity NPC474270
0.6901 Remote Similarity NPC475904

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC140688 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
0.704 Intermediate Similarity NPD1547 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD1241 Discontinued
0.6953 Remote Similarity NPD1049 Clinical (unspecified phase)
0.6912 Remote Similarity NPD1471 Phase 3
0.6912 Remote Similarity NPD2344 Approved
0.6912 Remote Similarity NPD2343 Clinical (unspecified phase)
0.6774 Remote Similarity NPD9092 Discovery
0.6769 Remote Similarity NPD1019 Discontinued
0.6719 Remote Similarity NPD9717 Approved
0.6714 Remote Similarity NPD2309 Approved
0.6667 Remote Similarity NPD6832 Phase 2
0.6615 Remote Similarity NPD1876 Approved
0.6597 Remote Similarity NPD920 Approved
0.6573 Remote Similarity NPD642 Clinical (unspecified phase)
0.6555 Remote Similarity NPD3134 Approved
0.6549 Remote Similarity NPD643 Clinical (unspecified phase)
0.6486 Remote Similarity NPD6279 Approved
0.6486 Remote Similarity NPD6280 Approved
0.6439 Remote Similarity NPD1203 Approved
0.6423 Remote Similarity NPD1899 Clinical (unspecified phase)
0.6403 Remote Similarity NPD2799 Discontinued
0.6391 Remote Similarity NPD2798 Approved
0.6364 Remote Similarity NPD1358 Approved
0.6357 Remote Similarity NPD1551 Phase 2
0.6357 Remote Similarity NPD2796 Approved
0.6343 Remote Similarity NPD9494 Approved
0.6338 Remote Similarity NPD1243 Approved
0.6336 Remote Similarity NPD3972 Approved
0.6333 Remote Similarity NPD5760 Phase 2
0.6333 Remote Similarity NPD5761 Phase 2
0.6324 Remote Similarity NPD2313 Discontinued
0.632 Remote Similarity NPD9069 Phase 1
0.6304 Remote Similarity NPD447 Suspended
0.6304 Remote Similarity NPD1933 Approved
0.6299 Remote Similarity NPD9493 Approved
0.6232 Remote Similarity NPD3142 Approved
0.6232 Remote Similarity NPD3140 Approved
0.6204 Remote Similarity NPD411 Approved
0.6198 Remote Similarity NPD9697 Approved
0.6194 Remote Similarity NPD1247 Approved
0.6184 Remote Similarity NPD2296 Approved
0.6169 Remote Similarity NPD919 Approved
0.6154 Remote Similarity NPD5585 Approved
0.6154 Remote Similarity NPD1549 Phase 2
0.6154 Remote Similarity NPD6808 Phase 2
0.6154 Remote Similarity NPD5668 Clinical (unspecified phase)
0.6148 Remote Similarity NPD5647 Approved
0.6124 Remote Similarity NPD5536 Phase 2
0.6115 Remote Similarity NPD1240 Approved
0.6084 Remote Similarity NPD1550 Clinical (unspecified phase)
0.6084 Remote Similarity NPD1552 Clinical (unspecified phase)
0.6084 Remote Similarity NPD2346 Discontinued
0.608 Remote Similarity NPD2181 Clinical (unspecified phase)
0.6078 Remote Similarity NPD5616 Clinical (unspecified phase)
0.6077 Remote Similarity NPD9545 Approved
0.6069 Remote Similarity NPD1878 Clinical (unspecified phase)
0.6065 Remote Similarity NPD5537 Clinical (unspecified phase)
0.6054 Remote Similarity NPD6799 Approved
0.6028 Remote Similarity NPD1607 Approved
0.6014 Remote Similarity NPD4662 Approved
0.6014 Remote Similarity NPD4661 Approved
0.6013 Remote Similarity NPD3926 Phase 2
0.6 Remote Similarity NPD7893 Clinical (unspecified phase)
0.5985 Remote Similarity NPD1778 Approved
0.5985 Remote Similarity NPD17 Approved
0.5968 Remote Similarity NPD290 Approved
0.5956 Remote Similarity NPD3267 Approved
0.5956 Remote Similarity NPD3266 Approved
0.5944 Remote Similarity NPD1510 Phase 2
0.5935 Remote Similarity NPD3882 Suspended
0.5933 Remote Similarity NPD3873 Phase 3
0.5933 Remote Similarity NPD3869 Phase 3
0.5926 Remote Similarity NPD4359 Approved
0.5924 Remote Similarity NPD5494 Approved
0.592 Remote Similarity NPD2182 Approved
0.592 Remote Similarity NPD2684 Approved
0.5917 Remote Similarity NPD1238 Approved
0.5906 Remote Similarity NPD5401 Approved
0.5906 Remote Similarity NPD1609 Clinical (unspecified phase)
0.5902 Remote Similarity NPD9261 Approved
0.589 Remote Similarity NPD7421 Clinical (unspecified phase)
0.5887 Remote Similarity NPD4307 Phase 2
0.5887 Remote Similarity NPD968 Approved
0.5862 Remote Similarity NPD9365 Approved
0.5855 Remote Similarity NPD3226 Approved
0.5854 Remote Similarity NPD164 Approved
0.5852 Remote Similarity NPD1608 Approved
0.5844 Remote Similarity NPD6844 Discontinued
0.5839 Remote Similarity NPD2797 Approved
0.5833 Remote Similarity NPD1894 Discontinued
0.5828 Remote Similarity NPD5403 Approved
0.5821 Remote Similarity NPD3496 Discontinued
0.5817 Remote Similarity NPD6599 Discontinued
0.5811 Remote Similarity NPD3887 Approved
0.5809 Remote Similarity NPD4379 Clinical (unspecified phase)
0.5802 Remote Similarity NPD405 Clinical (unspecified phase)
0.58 Remote Similarity NPD4378 Clinical (unspecified phase)
0.5796 Remote Similarity NPD3749 Approved
0.5793 Remote Similarity NPD2935 Discontinued
0.5782 Remote Similarity NPD2800 Approved
0.5782 Remote Similarity NPD2654 Approved
0.5779 Remote Similarity NPD7411 Suspended
0.5774 Remote Similarity NPD8434 Phase 2
0.5764 Remote Similarity NPD743 Approved
0.5762 Remote Similarity NPD6273 Approved
0.5758 Remote Similarity NPD6559 Discontinued
0.5753 Remote Similarity NPD2355 Clinical (unspecified phase)
0.5753 Remote Similarity NPD2353 Approved
0.5746 Remote Similarity NPD3412 Clinical (unspecified phase)
0.5745 Remote Similarity NPD3268 Approved
0.5743 Remote Similarity NPD4628 Phase 3
0.5736 Remote Similarity NPD821 Approved
0.5736 Remote Similarity NPD7843 Approved
0.5736 Remote Similarity NPD5535 Approved
0.5734 Remote Similarity NPD4618 Approved
0.5734 Remote Similarity NPD4622 Approved
0.5725 Remote Similarity NPD6362 Approved
0.5724 Remote Similarity NPD3748 Approved
0.5724 Remote Similarity NPD4308 Phase 3
0.5714 Remote Similarity NPD9264 Approved
0.5714 Remote Similarity NPD970 Clinical (unspecified phase)
0.5714 Remote Similarity NPD9263 Approved
0.5714 Remote Similarity NPD9267 Approved
0.5705 Remote Similarity NPD3295 Clinical (unspecified phase)
0.5705 Remote Similarity NPD7096 Clinical (unspecified phase)
0.5705 Remote Similarity NPD7819 Suspended
0.5695 Remote Similarity NPD7410 Clinical (unspecified phase)
0.5687 Remote Similarity NPD5262 Discontinued
0.5685 Remote Similarity NPD5712 Approved
0.5677 Remote Similarity NPD5890 Approved
0.5677 Remote Similarity NPD5889 Approved
0.5672 Remote Similarity NPD5691 Approved
0.5672 Remote Similarity NPD1651 Approved
0.5669 Remote Similarity NPD74 Approved
0.5669 Remote Similarity NPD5402 Approved
0.5669 Remote Similarity NPD9266 Approved
0.5669 Remote Similarity NPD8443 Clinical (unspecified phase)
0.5662 Remote Similarity NPD1281 Approved
0.5655 Remote Similarity NPD5689 Approved
0.5655 Remote Similarity NPD5688 Approved
0.5652 Remote Similarity NPD3225 Approved
0.5649 Remote Similarity NPD2651 Approved
0.5649 Remote Similarity NPD2649 Approved
0.5643 Remote Similarity NPD454 Approved
0.5641 Remote Similarity NPD6801 Discontinued
0.5641 Remote Similarity NPD1934 Approved
0.5641 Remote Similarity NPD7317 Phase 3
0.5638 Remote Similarity NPD1562 Clinical (unspecified phase)
0.5629 Remote Similarity NPD1511 Approved
0.5625 Remote Similarity NPD6355 Discontinued
0.5621 Remote Similarity NPD5586 Clinical (unspecified phase)
0.562 Remote Similarity NPD1481 Phase 2
0.5616 Remote Similarity NPD7033 Discontinued
0.5615 Remote Similarity NPD769 Approved
0.5608 Remote Similarity NPD2424 Discontinued
0.5606 Remote Similarity NPD7157 Approved
0.5605 Remote Similarity NPD2801 Approved
0.5605 Remote Similarity NPD2393 Clinical (unspecified phase)
0.56 Remote Similarity NPD2354 Approved

Structure

External Identifiers

PubChem CID   5318556
ChEMBL   CHEMBL3357563
ZINC  

Physicochemical Properties

Molecular Weight:  164.08
ALogP:  0.5161
MLogP:  2.34
XLogP:  2.301
# Rotatable Bonds:  5
Polar Surface Area:  30.21
# H-Bond Aceptor:  1
# H-Bond Donor:  0
# Rings:  1
# Heavy Atoms:  12

Download Data

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