Natural Product: NPC69271

Natural Product ID:  NPC69271
Common Name:   Xerantolide
IUPAC Name:   (3aS,5S,5aS,9aR)-5,8-dimethyl-1-methylidene-4,5,5a,6,9,9a-hexahydro-3aH-azuleno[6,5-b]furan-2,7-dione
Synonyms:   Xerantholide; Xerantolide
Molecular Formula:   C15H18O3
Standard InCHIKey:  UQNONRHPSCIIJO-BNYHBGRESA-N
Standard InCHI:  InChI=1S/C15H18O3/c1-7-4-14-12(9(3)15(17)18-14)5-11-8(2)13(16)6-10(7)11/h7,10,12,14H,3-6H2,1-2H3/t7-,10-,12+,14-/m0/s1
Canonical SMILES:  C[C@H]1C[C@@H]2OC(=O)C(=C)[C@H]2CC2=C(C(=O)C[C@@H]12)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
NPO9790 Anthemis austriaca Species Asteraceae Eukaryota UNPD*
NPO7110 Micromonospora narashino Species Micromonosporaceae Bacteria UNPD*
NPO25602 Crotalaria barbata Species Fabaceae Eukaryota UNPD*
NPO24854 Beltrania rhombica Species Beltraniaceae Eukaryota UNPD*
NPO8425 Gymnosporia rothiana Species Celastraceae Eukaryota UNPD*
NPO22645 Euphorbia drupifera Species Euphorbiaceae Eukaryota UNPD*
NPO2493 Parmelia reptans Species Parmeliaceae Eukaryota UNPD*
NPO25074 Elaeocarpus polydactylus Species Elaeocarpaceae Eukaryota UNPD*
NPO24708 Mikania micrantha Species Asteraceae Eukaryota UNPD*
NPO16926 Thymbra capitata Species Lamiaceae Eukaryota UNPD*
NPO25641 Peltophorum vogelianum Species Fabaceae Eukaryota UNPD*
NPO24242 Haminoea cymbalum Species Haminoeidae Eukaryota UNPD*
NPO22408 Aconitum polyschistum Species Ranunculaceae Eukaryota UNPD*
NPO9371 Pilocarpus organensis Species Rutaceae Eukaryota UNPD*
NPO12129 Fagara mantchurica NA NA NA UNPD*
NPO6403 Phlegmariurus squarrosus Species Lycopodiaceae Eukaryota UNPD*
NPO25515 Garcinia speciosa Species Clusiaceae Eukaryota UNPD*
NPO28627 Coptis trifolia Species Ranunculaceae Eukaryota UNPD*
NPO12360 Pithecellobium jiringa Species Fabaceae Eukaryota UNPD*
NPO23134 Artemisia kaschgarica Species Asteraceae Eukaryota UNPD*
NPO17138 Lethasterias nanimensis Species Asteriidae Eukaryota UNPD*
NPO20331 Aerva tomentosa Species Amaranthaceae Eukaryota UNPD*
NPO23998 Auxarthron reticulatum Species Onygenaceae Eukaryota UNPD*
NPO25313 Satureja douglasii Species Lamiaceae Eukaryota UNPD*
NPO33469 Asteraceae Family Asteraceae Eukaryota PMID[18329753]
NPO23608 Senecio brachypodus Species Asteraceae Eukaryota UNPD*
NPO33493 inula lineariifolia Species Asteraceae Eukaryota PMID[20515062]
NPO24950 Eupatorium aschenbornianum Species Asteraceae Eukaryota UNPD*
NPO22238 Inula falconeri Species Asteraceae Eukaryota Aerial parts Tibet, China PMID[21924800]
NPO23707 Sinularia gyrosa Species Alcyoniidae Eukaryota UNPD*
NPO3288 Microcystis aeruginosa Species Microcystaceae Bacteria UNPD*
NPO25683 Columba livia Species Columbidae Eukaryota UNPD*
NPO25341 Sanango racemosum Species Gesneriaceae Eukaryota UNPD*
NPO25241 Cordyla africana Species Fabaceae Eukaryota UNPD*
NPO6202 Aglaomorpha coronans Species Polypodiaceae Eukaryota UNPD*
NPO1827 Morinda elliptica Species Rubiaceae Eukaryota UNPD*
NPO15632 Podopetalum ormondi NA NA NA UNPD*
NPO25115 Psychotria calocarpa Species Rubiaceae Eukaryota UNPD*
NPO11170 Akebia trifoliata Species Lardizabalaceae Eukaryota UNPD*
NPO24895 Parmelia springtonensis Species Parmeliaceae Eukaryota UNPD*
NPO23227 Chaetomella acutiseta Species Chaetomellaceae Eukaryota UNPD*
NPO9179 Botryotinia squamosa Species Sclerotiniaceae Eukaryota UNPD*
NPO24662 Ulmus laevis Species Ulmaceae Eukaryota UNPD*
NPO7699 Xeranthemum cylindraceum Species Asteraceae Eukaryota TCMID*
NPO14305 Moricandia arvensis Species Brassicaceae Eukaryota UNPD*
NPO18117 Dalbergia odorifera Species Fabaceae Eukaryota TCMID*
NPO24142 Cereus ocamponis Species Sagartiidae Eukaryota UNPD*
NPO23866 Anisocycla cymosa Species Menispermaceae Eukaryota UNPD*
NPO23362 Tripterospermum chinense Species Gentianaceae Eukaryota UNPD*
NPO25399 Patrinia intermedia Species Caprifoliaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified IC50 = 101400 nM 18271521
NPT91 Cell Line KB Homo sapiens ED50 = 6.1 umol/ml 18329753
NPT113 Cell Line RAW264.7 Mus musculus IC50 = 35600 nM 20515062
NPT113 Cell Line RAW264.7 Mus musculus IC50 = 12860 nM 21924800

  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 NPC69271 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 NPC74673
0.9474 High Similarity NPC276356
0.9474 High Similarity NPC302426
0.9359 High Similarity NPC39588
0.9351 High Similarity NPC10276
0.9351 High Similarity NPC35089
0.9125 High Similarity NPC161957
0.9125 High Similarity NPC21471
0.9125 High Similarity NPC33570
0.9114 High Similarity NPC215294
0.9091 High Similarity NPC182550
0.9079 High Similarity NPC15975
0.9079 High Similarity NPC195785
0.9012 High Similarity NPC107787
0.9 High Similarity NPC115786
0.8933 High Similarity NPC143979
0.8933 High Similarity NPC320537
0.8889 High Similarity NPC78089
0.8831 High Similarity NPC208223
0.8831 High Similarity NPC65603
0.8816 High Similarity NPC193351
0.8816 High Similarity NPC226669
0.8816 High Similarity NPC138408
0.8734 High Similarity NPC73052
0.8734 High Similarity NPC290508
0.8734 High Similarity NPC293418
0.8734 High Similarity NPC6823
0.8734 High Similarity NPC223904
0.8718 High Similarity NPC299235
0.8684 High Similarity NPC469643
0.8684 High Similarity NPC469641
0.8625 High Similarity NPC255580
0.8625 High Similarity NPC39411
0.8608 High Similarity NPC472965
0.8608 High Similarity NPC264227
0.8608 High Similarity NPC63649
0.8605 High Similarity NPC135776
0.859 High Similarity NPC476794
0.859 High Similarity NPC470240
0.8571 High Similarity NPC91248
0.8571 High Similarity NPC155587
0.8537 High Similarity NPC156485
0.8488 Intermediate Similarity NPC70595
0.8488 Intermediate Similarity NPC123177
0.8488 Intermediate Similarity NPC74103
0.8488 Intermediate Similarity NPC150978
0.8471 Intermediate Similarity NPC268298
0.8471 Intermediate Similarity NPC4986
0.8462 Intermediate Similarity NPC235906
0.8434 Intermediate Similarity NPC235792
0.8415 Intermediate Similarity NPC54468
0.84 Intermediate Similarity NPC5714
0.8395 Intermediate Similarity NPC281949
0.8395 Intermediate Similarity NPC301477
0.8395 Intermediate Similarity NPC25684
0.8375 Intermediate Similarity NPC470244
0.8375 Intermediate Similarity NPC470239
0.8372 Intermediate Similarity NPC253144
0.8372 Intermediate Similarity NPC129419
0.8354 Intermediate Similarity NPC41780
0.8354 Intermediate Similarity NPC103987
0.8354 Intermediate Similarity NPC53581
0.8354 Intermediate Similarity NPC187568
0.8333 Intermediate Similarity NPC67493
0.8333 Intermediate Similarity NPC64153
0.8313 Intermediate Similarity NPC165287
0.8312 Intermediate Similarity NPC472956
0.8295 Intermediate Similarity NPC167219
0.8295 Intermediate Similarity NPC477131
0.8293 Intermediate Similarity NPC173609
0.8293 Intermediate Similarity NPC246076
0.8276 Intermediate Similarity NPC133698
0.8276 Intermediate Similarity NPC131209
0.8276 Intermediate Similarity NPC284185
0.8256 Intermediate Similarity NPC32922
0.825 Intermediate Similarity NPC472960
0.825 Intermediate Similarity NPC128276
0.8235 Intermediate Similarity NPC237540
0.8228 Intermediate Similarity NPC266159
0.8228 Intermediate Similarity NPC123360
0.8228 Intermediate Similarity NPC472967
0.8205 Intermediate Similarity NPC476355
0.8202 Intermediate Similarity NPC48803
0.8202 Intermediate Similarity NPC193645
0.8202 Intermediate Similarity NPC90121
0.8202 Intermediate Similarity NPC275960
0.8193 Intermediate Similarity NPC245665
0.8182 Intermediate Similarity NPC163003
0.8171 Intermediate Similarity NPC471325
0.8161 Intermediate Similarity NPC62815
0.8158 Intermediate Similarity NPC296522
0.8158 Intermediate Similarity NPC144511
0.8148 Intermediate Similarity NPC617
0.8148 Intermediate Similarity NPC178277
0.814 Intermediate Similarity NPC224652
0.8125 Intermediate Similarity NPC57744
0.8125 Intermediate Similarity NPC472014
0.8118 Intermediate Similarity NPC236692
0.8118 Intermediate Similarity NPC238593
0.8118 Intermediate Similarity NPC309757
0.809 Intermediate Similarity NPC470013
0.809 Intermediate Similarity NPC262133
0.809 Intermediate Similarity NPC198853
0.809 Intermediate Similarity NPC470010
0.809 Intermediate Similarity NPC323008
0.8077 Intermediate Similarity NPC58956
0.8077 Intermediate Similarity NPC269206
0.8077 Intermediate Similarity NPC295633
0.8068 Intermediate Similarity NPC300312
0.8068 Intermediate Similarity NPC261607
0.8068 Intermediate Similarity NPC111114
0.8052 Intermediate Similarity NPC472955
0.8023 Intermediate Similarity NPC118601
0.8023 Intermediate Similarity NPC201658
0.8022 Intermediate Similarity NPC169205
0.8 Intermediate Similarity NPC204105
0.8 Intermediate Similarity NPC284534
0.8 Intermediate Similarity NPC165162
0.8 Intermediate Similarity NPC304886
0.8 Intermediate Similarity NPC472959
0.8 Intermediate Similarity NPC300082
0.7976 Intermediate Similarity NPC318468
0.7975 Intermediate Similarity NPC140287
0.7955 Intermediate Similarity NPC37607
0.7955 Intermediate Similarity NPC301969
0.7952 Intermediate Similarity NPC47635
0.7952 Intermediate Similarity NPC141810
0.7952 Intermediate Similarity NPC42470
0.7949 Intermediate Similarity NPC29328
0.7949 Intermediate Similarity NPC129665
0.7935 Intermediate Similarity NPC141191
0.7935 Intermediate Similarity NPC54843
0.7931 Intermediate Similarity NPC178875
0.7931 Intermediate Similarity NPC215831
0.7931 Intermediate Similarity NPC190718
0.7927 Intermediate Similarity NPC469620
0.7927 Intermediate Similarity NPC270126
0.7927 Intermediate Similarity NPC469690
0.7912 Intermediate Similarity NPC185553
0.7907 Intermediate Similarity NPC104961
0.7907 Intermediate Similarity NPC70422
0.7907 Intermediate Similarity NPC56593
0.7907 Intermediate Similarity NPC284902
0.7907 Intermediate Similarity NPC304558
0.7907 Intermediate Similarity NPC70555
0.7901 Intermediate Similarity NPC122264
0.7882 Intermediate Similarity NPC475100
0.7882 Intermediate Similarity NPC224386
0.7882 Intermediate Similarity NPC194859
0.7875 Intermediate Similarity NPC244166
0.7857 Intermediate Similarity NPC89555
0.7857 Intermediate Similarity NPC178676
0.7841 Intermediate Similarity NPC168679
0.7841 Intermediate Similarity NPC73995
0.7841 Intermediate Similarity NPC12872
0.7816 Intermediate Similarity NPC24728
0.7816 Intermediate Similarity NPC270270
0.7816 Intermediate Similarity NPC475703
0.7805 Intermediate Similarity NPC108816
0.7805 Intermediate Similarity NPC93763
0.7792 Intermediate Similarity NPC470256
0.7791 Intermediate Similarity NPC215364
0.7791 Intermediate Similarity NPC177932
0.7791 Intermediate Similarity NPC110405
0.7778 Intermediate Similarity NPC473223
0.7765 Intermediate Similarity NPC475947
0.7765 Intermediate Similarity NPC193198
0.7765 Intermediate Similarity NPC474703
0.7765 Intermediate Similarity NPC272814
0.7765 Intermediate Similarity NPC22611
0.7753 Intermediate Similarity NPC71533
0.7753 Intermediate Similarity NPC152467
0.7753 Intermediate Similarity NPC106510
0.775 Intermediate Similarity NPC117746
0.775 Intermediate Similarity NPC15499
0.775 Intermediate Similarity NPC472966
0.775 Intermediate Similarity NPC294434
0.775 Intermediate Similarity NPC259599
0.7738 Intermediate Similarity NPC325031
0.7727 Intermediate Similarity NPC217983
0.7727 Intermediate Similarity NPC471149
0.7727 Intermediate Similarity NPC79549
0.7727 Intermediate Similarity NPC226863
0.7727 Intermediate Similarity NPC207114
0.7711 Intermediate Similarity NPC89128
0.7701 Intermediate Similarity NPC38576
0.7701 Intermediate Similarity NPC305475
0.7701 Intermediate Similarity NPC279859
0.7701 Intermediate Similarity NPC187661
0.7701 Intermediate Similarity NPC475461
0.7701 Intermediate Similarity NPC150755
0.7692 Intermediate Similarity NPC199557
0.7692 Intermediate Similarity NPC127019
0.7684 Intermediate Similarity NPC86077
0.7683 Intermediate Similarity NPC476028
0.7683 Intermediate Similarity NPC171204
0.7683 Intermediate Similarity NPC320630
0.7683 Intermediate Similarity NPC116177
0.7683 Intermediate Similarity NPC7563
0.7683 Intermediate Similarity NPC97516

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC69271 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
0.8471 Intermediate Similarity NPD1695 Approved
0.8202 Intermediate Similarity NPD1698 Clinical (unspecified phase)
0.7791 Intermediate Similarity NPD1694 Approved
0.7386 Intermediate Similarity NPD1733 Clinical (unspecified phase)
0.7374 Intermediate Similarity NPD7899 Clinical (unspecified phase)
0.7241 Intermediate Similarity NPD4752 Clinical (unspecified phase)
0.7174 Intermediate Similarity NPD5785 Approved
0.7045 Intermediate Similarity NPD5209 Approved
0.7 Intermediate Similarity NPD5363 Approved
0.6966 Remote Similarity NPD5362 Discontinued
0.6957 Remote Similarity NPD6903 Approved
0.6923 Remote Similarity NPD5330 Approved
0.6923 Remote Similarity NPD7521 Approved
0.6923 Remote Similarity NPD6409 Approved
0.6923 Remote Similarity NPD7146 Approved
0.6923 Remote Similarity NPD6684 Approved
0.6923 Remote Similarity NPD7334 Approved
0.6827 Remote Similarity NPD6371 Approved
0.6778 Remote Similarity NPD7154 Phase 3
0.6774 Remote Similarity NPD7513 Clinical (unspecified phase)
0.675 Remote Similarity NPD2685 Clinical (unspecified phase)
0.6742 Remote Similarity NPD5369 Approved
0.6667 Remote Similarity NPD4269 Approved
0.6667 Remote Similarity NPD4270 Approved
0.6632 Remote Similarity NPD5207 Approved
0.663 Remote Similarity NPD6082 Clinical (unspecified phase)
0.6598 Remote Similarity NPD5282 Discontinued
0.6596 Remote Similarity NPD6672 Approved
0.6596 Remote Similarity NPD5737 Approved
0.6562 Remote Similarity NPD5693 Phase 1
0.6559 Remote Similarity NPD5786 Approved
0.6531 Remote Similarity NPD6356 Clinical (unspecified phase)
0.65 Remote Similarity NPD4225 Approved
0.6495 Remote Similarity NPD6399 Phase 3
0.6484 Remote Similarity NPD6435 Approved
0.6458 Remote Similarity NPD46 Approved
0.6458 Remote Similarity NPD6698 Approved
0.6444 Remote Similarity NPD4252 Approved
0.6442 Remote Similarity NPD6008 Approved
0.6437 Remote Similarity NPD8039 Approved
0.6429 Remote Similarity NPD6001 Approved
0.6404 Remote Similarity NPD5784 Clinical (unspecified phase)
0.6264 Remote Similarity NPD5368 Approved
0.6264 Remote Similarity NPD5790 Clinical (unspecified phase)
0.6263 Remote Similarity NPD7901 Clinical (unspecified phase)
0.6263 Remote Similarity NPD7900 Approved
0.625 Remote Similarity NPD5208 Approved
0.6239 Remote Similarity NPD6053 Discontinued
0.6237 Remote Similarity NPD5331 Approved
0.6237 Remote Similarity NPD5332 Approved
0.6211 Remote Similarity NPD3618 Phase 1
0.6211 Remote Similarity NPD4249 Approved
0.62 Remote Similarity NPD5695 Phase 3
0.6196 Remote Similarity NPD4790 Discontinued
0.6186 Remote Similarity NPD6904 Approved
0.6186 Remote Similarity NPD6673 Approved
0.6186 Remote Similarity NPD6080 Approved
0.6176 Remote Similarity NPD5696 Approved
0.6176 Remote Similarity NPD7638 Approved
0.617 Remote Similarity NPD3133 Approved
0.617 Remote Similarity NPD3666 Approved
0.617 Remote Similarity NPD3665 Phase 1
0.6161 Remote Similarity NPD7115 Discovery
0.6146 Remote Similarity NPD4251 Approved
0.6146 Remote Similarity NPD4250 Approved
0.6146 Remote Similarity NPD3573 Approved
0.6129 Remote Similarity NPD3667 Approved
0.6122 Remote Similarity NPD7838 Discovery
0.6122 Remote Similarity NPD5692 Phase 3
0.6117 Remote Similarity NPD7639 Approved
0.6117 Remote Similarity NPD7640 Approved
0.61 Remote Similarity NPD7748 Approved
0.6087 Remote Similarity NPD4820 Approved
0.6087 Remote Similarity NPD4822 Approved
0.6087 Remote Similarity NPD4821 Approved
0.6087 Remote Similarity NPD4819 Approved
0.6078 Remote Similarity NPD6084 Phase 2
0.6078 Remote Similarity NPD6083 Phase 2
0.6078 Remote Similarity NPD7902 Approved
0.6061 Remote Similarity NPD5694 Approved
0.6061 Remote Similarity NPD6050 Approved
0.6044 Remote Similarity NPD4268 Approved
0.6044 Remote Similarity NPD4271 Approved
0.6042 Remote Similarity NPD6098 Approved
0.6042 Remote Similarity NPD5279 Phase 3
0.602 Remote Similarity NPD6101 Approved
0.602 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6019 Remote Similarity NPD6686 Approved
0.6 Remote Similarity NPD3668 Phase 3
0.6 Remote Similarity NPD5779 Approved
0.6 Remote Similarity NPD5778 Approved
0.6 Remote Similarity NPD2181 Clinical (unspecified phase)
0.6 Remote Similarity NPD4786 Approved
0.5952 Remote Similarity NPD7341 Phase 2
0.5943 Remote Similarity NPD6052 Approved
0.5934 Remote Similarity NPD4756 Discovery
0.5926 Remote Similarity NPD5697 Approved
0.5914 Remote Similarity NPD4695 Discontinued
0.59 Remote Similarity NPD7515 Phase 2
0.59 Remote Similarity NPD5281 Approved
0.59 Remote Similarity NPD6411 Approved
0.59 Remote Similarity NPD5284 Approved
0.59 Remote Similarity NPD6079 Approved
0.5882 Remote Similarity NPD6108 Clinical (unspecified phase)
0.5882 Remote Similarity NPD7331 Phase 2
0.5872 Remote Similarity NPD7320 Approved
0.5872 Remote Similarity NPD6899 Approved
0.5872 Remote Similarity NPD6011 Approved
0.5872 Remote Similarity NPD6881 Approved
0.5865 Remote Similarity NPD8029 Clinical (unspecified phase)
0.5859 Remote Similarity NPD5328 Approved
0.5859 Remote Similarity NPD6051 Approved
0.5856 Remote Similarity NPD6649 Approved
0.5856 Remote Similarity NPD6650 Approved
0.5833 Remote Similarity NPD6675 Approved
0.5833 Remote Similarity NPD6402 Approved
0.5833 Remote Similarity NPD5739 Approved
0.5833 Remote Similarity NPD7128 Approved
0.5825 Remote Similarity NPD5349 Clinical (unspecified phase)
0.5818 Remote Similarity NPD6013 Approved
0.5818 Remote Similarity NPD6373 Approved
0.5818 Remote Similarity NPD6012 Approved
0.5818 Remote Similarity NPD6014 Approved
0.5818 Remote Similarity NPD6372 Approved
0.5795 Remote Similarity NPD4691 Approved
0.5789 Remote Similarity NPD4221 Approved
0.5789 Remote Similarity NPD4223 Phase 3
0.5789 Remote Similarity NPD4800 Clinical (unspecified phase)
0.578 Remote Similarity NPD5701 Approved
0.578 Remote Similarity NPD5954 Clinical (unspecified phase)
0.5766 Remote Similarity NPD7102 Approved
0.5766 Remote Similarity NPD6883 Approved
0.5766 Remote Similarity NPD7290 Approved
0.5743 Remote Similarity NPD8035 Phase 2
0.5743 Remote Similarity NPD7983 Approved
0.5743 Remote Similarity NPD8034 Phase 2
0.5728 Remote Similarity NPD5654 Approved
0.5728 Remote Similarity NPD5210 Approved
0.5728 Remote Similarity NPD4629 Approved
0.5714 Remote Similarity NPD5690 Phase 2
0.5714 Remote Similarity NPD6869 Approved
0.5714 Remote Similarity NPD6847 Approved
0.5714 Remote Similarity NPD3574 Clinical (unspecified phase)
0.5714 Remote Similarity NPD8130 Phase 1
0.5714 Remote Similarity NPD6617 Approved
0.5714 Remote Similarity NPD6422 Discontinued
0.5714 Remote Similarity NPD4519 Discontinued
0.5714 Remote Similarity NPD4623 Approved
0.5714 Remote Similarity NPD8413 Clinical (unspecified phase)
0.5701 Remote Similarity NPD7632 Discontinued
0.57 Remote Similarity NPD4753 Phase 2
0.57 Remote Similarity NPD5370 Suspended
0.5699 Remote Similarity NPD3617 Approved
0.5696 Remote Similarity NPD9298 Approved
0.5686 Remote Similarity NPD4202 Approved
0.5684 Remote Similarity NPD857 Phase 3
0.5682 Remote Similarity NPD4137 Phase 3
0.5678 Remote Similarity NPD6291 Clinical (unspecified phase)
0.5673 Remote Similarity NPD4697 Phase 3
0.5673 Remote Similarity NPD5221 Approved
0.5673 Remote Similarity NPD5220 Clinical (unspecified phase)
0.5673 Remote Similarity NPD5222 Approved
0.567 Remote Similarity NPD6400 Clinical (unspecified phase)
0.567 Remote Similarity NPD4197 Approved
0.5664 Remote Similarity NPD8297 Approved
0.5664 Remote Similarity NPD6882 Approved
0.566 Remote Similarity NPD6648 Approved
0.5648 Remote Similarity NPD6647 Phase 2
0.5636 Remote Similarity NPD6614 Approved
0.5625 Remote Similarity NPD2067 Discontinued
0.5625 Remote Similarity NPD5955 Clinical (unspecified phase)
0.5619 Remote Similarity NPD5173 Approved
0.5619 Remote Similarity NPD5959 Approved
0.5618 Remote Similarity NPD4747 Approved
0.5612 Remote Similarity NPD7520 Clinical (unspecified phase)
0.5612 Remote Similarity NPD5329 Approved
0.5612 Remote Similarity NPD1696 Phase 3
0.5607 Remote Similarity NPD5344 Discontinued
0.5604 Remote Similarity NPD4058 Approved
0.56 Remote Similarity NPD6845 Suspended
0.56 Remote Similarity NPD4518 Approved

Structure

External Identifiers

PubChem CID   442337
ChEMBL   CHEMBL407710
ZINC  

Physicochemical Properties

Molecular Weight:  246.13
ALogP:  1.2298
MLogP:  2.78
XLogP:  1.014
# Rotatable Bonds:  2
Polar Surface Area:  43.37
# H-Bond Aceptor:  3
# H-Bond Donor:  0
# Rings:  3
# Heavy Atoms:  18

Download Data

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