Natural Product: NPC283789

Natural Product ID:  NPC283789
Common Name:   Aframodial
IUPAC Name:   (2E)-2-[2-[(1R,2S,4aS,8aS)-5,5,8a-trimethylspiro[3,4,4a,6,7,8-hexahydro-1H-naphthalene-2,2'-oxirane]-1-yl]ethylidene]butanedial
Synonyms:   Aframodial
Molecular Formula:   C20H30O3
Standard InCHIKey:  ZAWCPGMKVKTLKI-NOFOYWHNSA-N
Standard InCHI:  InChI=1S/C20H30O3/c1-18(2)9-4-10-19(3)16(18)7-11-20(14-23-20)17(19)6-5-15(13-22)8-12-21/h5,12-13,16-17H,4,6-11,14H2,1-3H3/b15-5+/t16-,17+,19-,20+/m0/s1
Canonical SMILES:  O=CC/C(=CC[C@H]1[C@]2(CC[C@@H]3[C@]1(C)CCCC3(C)C)OC2)/C=O
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
NPO9232 Aframomum daniellii Species Zingiberaceae Eukaryota TCMID*
NPO20553 Zingiber officinale Species Zingiberaceae Eukaryota TCMID*
NPO5033 Alpinia galanga Species Zingiberaceae Eukaryota TCMID*
NPO6603 Gymnopus montagnei Species Omphalotaceae Eukaryota UNPD*
NPO28256 Platycladus orientalis Species Cupressaceae Eukaryota leaves Soorkesh Valley, Gollestan, Iran PMID[15104493]
NPO28256 Platycladus orientalis Species Cupressaceae Eukaryota Leaves and branches Soorkesh Valley, Gollestan, Iran PMID[15104493]
NPO11690 Anisomorpha buprestoides Species Pseudophasmatidae Eukaryota UNPD*
NPO20553 Zingiber officinale Species Zingiberaceae Eukaryota HerDing*
NPO31399 Aframomum daniellin Species Zingiberaceae Eukaryota HerDing*
NPO5033 Alpinia galanga Species Zingiberaceae Eukaryota HerDing*
NPO7335 Quercus occidentalis Species Fagaceae Eukaryota UNPD*
NPO6242 Pseudomonas reactans Species Pseudomonadaceae Bacteria UNPD*
NPO8003 Triphasia sarmentosa Species Rutaceae Eukaryota UNPD*
NPO3714 Papaver pseudo-orientale Species Papaveraceae Eukaryota UNPD*
NPO9027 Disporopsis pernyi Species Asparagaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT6 Organism Plasmodium falciparum Plasmodium falciparum IC50 = 76300 nM 15104493
NPT4276 Organism Yersinia enterocolitica Yersinia enterocolitica MBC = 3.375 ug/ml 23792320
NPT19 Organism Escherichia coli Escherichia coli MBC = 6.75 ug/ml 23792320
NPT1398 Organism Salmonella paratyphi Salmonella enterica subsp. enterica serovar Paratyphi A MBC = 12.5 ug/ml 23792320
NPT19 Organism Escherichia coli Escherichia coli MBC = 12.5 ug/ml 23792320
NPT564 Organism Listeria monocytogenes Listeria monocytogenes MBC = 12.5 ug/ml 23792320
NPT314 Organism Bacillus cereus Bacillus cereus MBC = 6.75 ug/ml 23792320
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MBC = 6.75 ug/ml 23792320
NPT4276 Organism Yersinia enterocolitica Yersinia enterocolitica MIC = 3.375 ug/ml 23792320
NPT19 Organism Escherichia coli Escherichia coli MIC = 6.75 ug/ml 23792320
NPT1398 Organism Salmonella paratyphi Salmonella enterica subsp. enterica serovar Paratyphi A MIC = 6.75 ug/ml 23792320
NPT19 Organism Escherichia coli Escherichia coli MIC = 12.5 ug/ml 23792320
NPT564 Organism Listeria monocytogenes Listeria monocytogenes MIC = 12.5 ug/ml 23792320
NPT314 Organism Bacillus cereus Bacillus cereus MIC = 6.75 ug/ml 23792320
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC = 3.375 ug/ml 23792320

  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 NPC283789 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
0.8462 Intermediate Similarity NPC219809
0.8462 Intermediate Similarity NPC470428
0.8395 Intermediate Similarity NPC470813
0.8354 Intermediate Similarity NPC476949
0.825 Intermediate Similarity NPC470429
0.8125 Intermediate Similarity NPC80088
0.8125 Intermediate Similarity NPC253561
0.8082 Intermediate Similarity NPC52449
0.8082 Intermediate Similarity NPC169275
0.8077 Intermediate Similarity NPC78527
0.8025 Intermediate Similarity NPC476177
0.7976 Intermediate Similarity NPC306951
0.7907 Intermediate Similarity NPC89747
0.7848 Intermediate Similarity NPC22134
0.7841 Intermediate Similarity NPC328141
0.7831 Intermediate Similarity NPC473217
0.7831 Intermediate Similarity NPC119229
0.7816 Intermediate Similarity NPC206060
0.7805 Intermediate Similarity NPC170394
0.7791 Intermediate Similarity NPC179591
0.7778 Intermediate Similarity NPC269729
0.7765 Intermediate Similarity NPC470812
0.7738 Intermediate Similarity NPC142683
0.7722 Intermediate Similarity NPC144947
0.7711 Intermediate Similarity NPC472301
0.7711 Intermediate Similarity NPC476809
0.7701 Intermediate Similarity NPC264546
0.7692 Intermediate Similarity NPC476519
0.7692 Intermediate Similarity NPC274417
0.7683 Intermediate Similarity NPC59436
0.7674 Intermediate Similarity NPC2709
0.7667 Intermediate Similarity NPC474185
0.7647 Intermediate Similarity NPC476927
0.7647 Intermediate Similarity NPC307258
0.764 Intermediate Similarity NPC474209
0.764 Intermediate Similarity NPC475823
0.7619 Intermediate Similarity NPC90055
0.7614 Intermediate Similarity NPC473229
0.7614 Intermediate Similarity NPC474925
0.7614 Intermediate Similarity NPC93411
0.7595 Intermediate Similarity NPC167706
0.7561 Intermediate Similarity NPC472300
0.7558 Intermediate Similarity NPC251170
0.7532 Intermediate Similarity NPC4370
0.7532 Intermediate Similarity NPC290350
0.7529 Intermediate Similarity NPC163236
0.7529 Intermediate Similarity NPC2524
0.7528 Intermediate Similarity NPC472983
0.7528 Intermediate Similarity NPC469546
0.75 Intermediate Similarity NPC471514
0.75 Intermediate Similarity NPC30421
0.75 Intermediate Similarity NPC469637
0.75 Intermediate Similarity NPC475772
0.7471 Intermediate Similarity NPC476678
0.7471 Intermediate Similarity NPC70685
0.7447 Intermediate Similarity NPC107806
0.7447 Intermediate Similarity NPC72647
0.7444 Intermediate Similarity NPC38952
0.7444 Intermediate Similarity NPC191684
0.7444 Intermediate Similarity NPC474842
0.7444 Intermediate Similarity NPC475965
0.7442 Intermediate Similarity NPC64600
0.7439 Intermediate Similarity NPC186554
0.7439 Intermediate Similarity NPC1973
0.7439 Intermediate Similarity NPC250621
0.7439 Intermediate Similarity NPC167873
0.7439 Intermediate Similarity NPC76966
0.7436 Intermediate Similarity NPC155198
0.7419 Intermediate Similarity NPC209297
0.7419 Intermediate Similarity NPC5532
0.7419 Intermediate Similarity NPC475380
0.7419 Intermediate Similarity NPC106425
0.7419 Intermediate Similarity NPC122324
0.7419 Intermediate Similarity NPC61369
0.7419 Intermediate Similarity NPC151725
0.7419 Intermediate Similarity NPC469545
0.7416 Intermediate Similarity NPC224145
0.7412 Intermediate Similarity NPC149237
0.7412 Intermediate Similarity NPC170303
0.7407 Intermediate Similarity NPC476366
0.7407 Intermediate Similarity NPC128346
0.7407 Intermediate Similarity NPC219232
0.7407 Intermediate Similarity NPC211641
0.7407 Intermediate Similarity NPC75485
0.7407 Intermediate Similarity NPC201048
0.7407 Intermediate Similarity NPC168975
0.7407 Intermediate Similarity NPC238146
0.7391 Intermediate Similarity NPC38830
0.7391 Intermediate Similarity NPC471040
0.7386 Intermediate Similarity NPC95594
0.7386 Intermediate Similarity NPC235341
0.7386 Intermediate Similarity NPC477579
0.7386 Intermediate Similarity NPC73038
0.7375 Intermediate Similarity NPC474562
0.7368 Intermediate Similarity NPC470906
0.7368 Intermediate Similarity NPC475202
0.7368 Intermediate Similarity NPC475385
0.7368 Intermediate Similarity NPC475392
0.7363 Intermediate Similarity NPC472975
0.7363 Intermediate Similarity NPC49420
0.7356 Intermediate Similarity NPC472265
0.7349 Intermediate Similarity NPC257666
0.7349 Intermediate Similarity NPC132542
0.7349 Intermediate Similarity NPC266193
0.7349 Intermediate Similarity NPC197659
0.734 Intermediate Similarity NPC151488
0.734 Intermediate Similarity NPC475446
0.734 Intermediate Similarity NPC311241
0.734 Intermediate Similarity NPC100912
0.7333 Intermediate Similarity NPC119416
0.7333 Intermediate Similarity NPC472973
0.7333 Intermediate Similarity NPC184663
0.7326 Intermediate Similarity NPC256112
0.7303 Intermediate Similarity NPC141292
0.7294 Intermediate Similarity NPC2482
0.7294 Intermediate Similarity NPC281880
0.7294 Intermediate Similarity NPC474956
0.7292 Intermediate Similarity NPC237190
0.7273 Intermediate Similarity NPC470574
0.7273 Intermediate Similarity NPC22133
0.7273 Intermediate Similarity NPC133652
0.7273 Intermediate Similarity NPC474013
0.7273 Intermediate Similarity NPC474768
0.7262 Intermediate Similarity NPC207186
0.7262 Intermediate Similarity NPC207772
0.7262 Intermediate Similarity NPC115515
0.7253 Intermediate Similarity NPC85173
0.7253 Intermediate Similarity NPC159748
0.7253 Intermediate Similarity NPC101651
0.7253 Intermediate Similarity NPC223093
0.7253 Intermediate Similarity NPC126993
0.7241 Intermediate Similarity NPC79945
0.7241 Intermediate Similarity NPC139206
0.7241 Intermediate Similarity NPC470165
0.7234 Intermediate Similarity NPC192428
0.7234 Intermediate Similarity NPC471039
0.7229 Intermediate Similarity NPC470749
0.7229 Intermediate Similarity NPC469793
0.7229 Intermediate Similarity NPC469796
0.7222 Intermediate Similarity NPC158778
0.7222 Intermediate Similarity NPC104560
0.7222 Intermediate Similarity NPC292491
0.7222 Intermediate Similarity NPC472802
0.7222 Intermediate Similarity NPC328539
0.7222 Intermediate Similarity NPC474677
0.7222 Intermediate Similarity NPC291665
0.7222 Intermediate Similarity NPC80335
0.7222 Intermediate Similarity NPC310752
0.7222 Intermediate Similarity NPC48107
0.7215 Intermediate Similarity NPC94192
0.7209 Intermediate Similarity NPC195334
0.7209 Intermediate Similarity NPC474085
0.7209 Intermediate Similarity NPC159148
0.7209 Intermediate Similarity NPC121984
0.7209 Intermediate Similarity NPC290495
0.7209 Intermediate Similarity NPC476101
0.7209 Intermediate Similarity NPC475665
0.7209 Intermediate Similarity NPC473420
0.7204 Intermediate Similarity NPC103527
0.7204 Intermediate Similarity NPC140277
0.7204 Intermediate Similarity NPC470697
0.7204 Intermediate Similarity NPC299100
0.7195 Intermediate Similarity NPC167049
0.7195 Intermediate Similarity NPC469691
0.7191 Intermediate Similarity NPC475069
0.7191 Intermediate Similarity NPC325594
0.7191 Intermediate Similarity NPC472986
0.7191 Intermediate Similarity NPC10005
0.7191 Intermediate Similarity NPC472974
0.7191 Intermediate Similarity NPC91525
0.7191 Intermediate Similarity NPC175145
0.7191 Intermediate Similarity NPC472985
0.7191 Intermediate Similarity NPC158393
0.7191 Intermediate Similarity NPC329943
0.7191 Intermediate Similarity NPC94755
0.7191 Intermediate Similarity NPC9892
0.7188 Intermediate Similarity NPC112167
0.7188 Intermediate Similarity NPC35751
0.7176 Intermediate Similarity NPC263951
0.7174 Intermediate Similarity NPC72845
0.7174 Intermediate Similarity NPC272746
0.7174 Intermediate Similarity NPC476187
0.7174 Intermediate Similarity NPC230064
0.7174 Intermediate Similarity NPC110923
0.7174 Intermediate Similarity NPC472978
0.7174 Intermediate Similarity NPC74296
0.7174 Intermediate Similarity NPC99380
0.716 Intermediate Similarity NPC164022
0.7159 Intermediate Similarity NPC33913
0.7159 Intermediate Similarity NPC139566
0.7159 Intermediate Similarity NPC476412
0.7159 Intermediate Similarity NPC96055
0.7158 Intermediate Similarity NPC226986
0.7158 Intermediate Similarity NPC473456
0.7143 Intermediate Similarity NPC283619
0.7143 Intermediate Similarity NPC82876
0.7143 Intermediate Similarity NPC95585
0.7143 Intermediate Similarity NPC262858
0.7143 Intermediate Similarity NPC472240
0.7143 Intermediate Similarity NPC470750

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC283789 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
0.75 Intermediate Similarity NPD3573 Approved
0.7386 Intermediate Similarity NPD3618 Phase 1
0.7234 Intermediate Similarity NPD4697 Phase 3
0.7204 Intermediate Similarity NPD7901 Clinical (unspecified phase)
0.7204 Intermediate Similarity NPD7900 Approved
0.7174 Intermediate Similarity NPD6079 Approved
0.7143 Intermediate Similarity NPD5328 Approved
0.7126 Intermediate Similarity NPD4752 Clinical (unspecified phase)
0.7097 Intermediate Similarity NPD4202 Approved
0.7021 Intermediate Similarity NPD7748 Approved
0.7 Intermediate Similarity NPD5330 Approved
0.7 Intermediate Similarity NPD3574 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD6409 Approved
0.7 Intermediate Similarity NPD7334 Approved
0.7 Intermediate Similarity NPD7146 Approved
0.7 Intermediate Similarity NPD6684 Approved
0.7 Intermediate Similarity NPD7521 Approved
0.6989 Remote Similarity NPD7515 Phase 2
0.6979 Remote Similarity NPD7902 Approved
0.6977 Remote Similarity NPD4195 Approved
0.6977 Remote Similarity NPD7645 Phase 2
0.6966 Remote Similarity NPD3665 Phase 1
0.6966 Remote Similarity NPD3666 Approved
0.6966 Remote Similarity NPD3133 Approved
0.6947 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6932 Remote Similarity NPD3667 Approved
0.6932 Remote Similarity NPD4223 Phase 3
0.6932 Remote Similarity NPD4221 Approved
0.6897 Remote Similarity NPD4695 Discontinued
0.6897 Remote Similarity NPD7525 Registered
0.6875 Remote Similarity NPD5220 Clinical (unspecified phase)
0.6875 Remote Similarity NPD5222 Approved
0.6875 Remote Similarity NPD5221 Approved
0.6848 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6848 Remote Similarity NPD6672 Approved
0.6848 Remote Similarity NPD6903 Approved
0.6848 Remote Similarity NPD5737 Approved
0.6842 Remote Similarity NPD6001 Approved
0.6837 Remote Similarity NPD4696 Approved
0.6837 Remote Similarity NPD5286 Approved
0.6837 Remote Similarity NPD5285 Approved
0.6832 Remote Similarity NPD6008 Approved
0.6829 Remote Similarity NPD4691 Approved
0.6804 Remote Similarity NPD4755 Approved
0.6804 Remote Similarity NPD5173 Approved
0.6778 Remote Similarity NPD4786 Approved
0.6778 Remote Similarity NPD4197 Approved
0.6778 Remote Similarity NPD3668 Phase 3
0.6774 Remote Similarity NPD4753 Phase 2
0.6768 Remote Similarity NPD5223 Approved
0.6735 Remote Similarity NPD4225 Approved
0.6735 Remote Similarity NPD7638 Approved
0.6707 Remote Similarity NPD4137 Phase 3
0.6703 Remote Similarity NPD5329 Approved
0.6703 Remote Similarity NPD1694 Approved
0.67 Remote Similarity NPD5225 Approved
0.67 Remote Similarity NPD5226 Approved
0.67 Remote Similarity NPD5211 Phase 2
0.67 Remote Similarity NPD5224 Approved
0.67 Remote Similarity NPD4633 Approved
0.6667 Remote Similarity NPD4700 Approved
0.6667 Remote Similarity NPD7639 Approved
0.6667 Remote Similarity NPD7640 Approved
0.6667 Remote Similarity NPD5208 Approved
0.6634 Remote Similarity NPD5174 Approved
0.6634 Remote Similarity NPD5175 Approved
0.663 Remote Similarity NPD5690 Phase 2
0.663 Remote Similarity NPD4689 Approved
0.663 Remote Similarity NPD4690 Approved
0.663 Remote Similarity NPD4138 Approved
0.663 Remote Similarity NPD4693 Phase 3
0.663 Remote Similarity NPD5205 Approved
0.663 Remote Similarity NPD4688 Approved
0.663 Remote Similarity NPD4623 Approved
0.663 Remote Similarity NPD4519 Discontinued
0.6628 Remote Similarity NPD3701 Clinical (unspecified phase)
0.6627 Remote Similarity NPD4747 Approved
0.6602 Remote Similarity NPD5697 Approved
0.6598 Remote Similarity NPD4629 Approved
0.6598 Remote Similarity NPD5210 Approved
0.6596 Remote Similarity NPD6673 Approved
0.6596 Remote Similarity NPD6080 Approved
0.6596 Remote Similarity NPD6904 Approved
0.6588 Remote Similarity NPD4058 Approved
0.6569 Remote Similarity NPD5141 Approved
0.6562 Remote Similarity NPD6399 Phase 3
0.6538 Remote Similarity NPD6881 Approved
0.6538 Remote Similarity NPD6899 Approved
0.6538 Remote Similarity NPD6011 Approved
0.6522 Remote Similarity NPD1696 Phase 3
0.6512 Remote Similarity NPD7339 Approved
0.6512 Remote Similarity NPD6942 Approved
0.6509 Remote Similarity NPD6650 Approved
0.6509 Remote Similarity NPD6649 Approved
0.6505 Remote Similarity NPD6675 Approved
0.6505 Remote Similarity NPD6402 Approved
0.6505 Remote Similarity NPD7128 Approved
0.6505 Remote Similarity NPD5739 Approved
0.6484 Remote Similarity NPD4788 Approved
0.6477 Remote Similarity NPD3617 Approved
0.6476 Remote Similarity NPD6013 Approved
0.6476 Remote Similarity NPD6372 Approved
0.6476 Remote Similarity NPD6373 Approved
0.6476 Remote Similarity NPD6014 Approved
0.6476 Remote Similarity NPD6012 Approved
0.6471 Remote Similarity NPD4754 Approved
0.6465 Remote Similarity NPD6083 Phase 2
0.6465 Remote Similarity NPD6084 Phase 2
0.6458 Remote Similarity NPD5693 Phase 1
0.6452 Remote Similarity NPD5280 Approved
0.6452 Remote Similarity NPD4694 Approved
0.6452 Remote Similarity NPD6098 Approved
0.6452 Remote Similarity NPD5279 Phase 3
0.6442 Remote Similarity NPD5701 Approved
0.6442 Remote Similarity NPD5954 Clinical (unspecified phase)
0.6429 Remote Similarity NPD5695 Phase 3
0.6415 Remote Similarity NPD7102 Approved
0.6415 Remote Similarity NPD7290 Approved
0.6415 Remote Similarity NPD6883 Approved
0.64 Remote Similarity NPD5290 Discontinued
0.64 Remote Similarity NPD5696 Approved
0.6395 Remote Similarity NPD6926 Approved
0.6395 Remote Similarity NPD6924 Approved
0.6381 Remote Similarity NPD5128 Approved
0.6381 Remote Similarity NPD7320 Approved
0.6381 Remote Similarity NPD4729 Approved
0.6381 Remote Similarity NPD4730 Approved
0.6364 Remote Similarity NPD7115 Discovery
0.6355 Remote Similarity NPD6847 Approved
0.6355 Remote Similarity NPD6617 Approved
0.6355 Remote Similarity NPD8130 Phase 1
0.6355 Remote Similarity NPD6869 Approved
0.6354 Remote Similarity NPD5692 Phase 3
0.6354 Remote Similarity NPD5207 Approved
0.6353 Remote Similarity NPD4243 Approved
0.6346 Remote Similarity NPD4768 Approved
0.6346 Remote Similarity NPD4767 Approved
0.6344 Remote Similarity NPD7520 Clinical (unspecified phase)
0.6296 Remote Similarity NPD6882 Approved
0.6296 Remote Similarity NPD8297 Approved
0.6289 Remote Similarity NPD8035 Phase 2
0.6289 Remote Similarity NPD5694 Approved
0.6289 Remote Similarity NPD6050 Approved
0.6289 Remote Similarity NPD8034 Phase 2
0.6262 Remote Similarity NPD5250 Approved
0.6262 Remote Similarity NPD4634 Approved
0.6262 Remote Similarity NPD5134 Clinical (unspecified phase)
0.6262 Remote Similarity NPD5247 Approved
0.6262 Remote Similarity NPD5248 Approved
0.6262 Remote Similarity NPD5955 Clinical (unspecified phase)
0.6262 Remote Similarity NPD5251 Approved
0.6262 Remote Similarity NPD5169 Approved
0.6262 Remote Similarity NPD5249 Phase 3
0.6262 Remote Similarity NPD5135 Approved
0.625 Remote Similarity NPD6051 Approved
0.625 Remote Similarity NPD6933 Approved
0.6239 Remote Similarity NPD4632 Approved
0.6226 Remote Similarity NPD5168 Approved
0.622 Remote Similarity NPD2685 Clinical (unspecified phase)
0.6207 Remote Similarity NPD4687 Approved
0.6207 Remote Similarity NPD4784 Approved
0.6207 Remote Similarity NPD4785 Approved
0.6207 Remote Similarity NPD5733 Approved
0.6204 Remote Similarity NPD5217 Approved
0.6204 Remote Similarity NPD5215 Approved
0.6204 Remote Similarity NPD5127 Approved
0.6204 Remote Similarity NPD5216 Approved
0.6204 Remote Similarity NPD6401 Clinical (unspecified phase)
0.62 Remote Similarity NPD7732 Phase 3
0.619 Remote Similarity NPD3621 Clinical (unspecified phase)
0.6168 Remote Similarity NPD4061 Clinical (unspecified phase)
0.6163 Remote Similarity NPD5276 Approved
0.6154 Remote Similarity NPD7509 Discontinued
0.6136 Remote Similarity NPD5275 Approved
0.6136 Remote Similarity NPD4190 Phase 3
0.6126 Remote Similarity NPD6274 Approved
0.6122 Remote Similarity NPD5281 Approved
0.6122 Remote Similarity NPD5284 Approved
0.6082 Remote Similarity NPD7285 Clinical (unspecified phase)
0.6076 Remote Similarity NPD287 Approved
0.6071 Remote Similarity NPD6317 Approved
0.6071 Remote Similarity NPD6009 Approved
0.6061 Remote Similarity NPD5133 Approved
0.6058 Remote Similarity NPD7632 Discontinued
0.6042 Remote Similarity NPD4751 Clinical (unspecified phase)
0.6036 Remote Similarity NPD5167 Approved
0.602 Remote Similarity NPD4096 Approved
0.6019 Remote Similarity NPD6648 Approved
0.6018 Remote Similarity NPD6313 Approved
0.6018 Remote Similarity NPD6335 Approved
0.6018 Remote Similarity NPD6314 Approved
0.5982 Remote Similarity NPD6868 Approved
0.598 Remote Similarity NPD5959 Approved
0.5978 Remote Similarity NPD6931 Approved
0.5978 Remote Similarity NPD8259 Clinical (unspecified phase)
0.5978 Remote Similarity NPD6930 Phase 2
0.5978 Remote Similarity NPD4748 Discontinued
0.5977 Remote Similarity NPD7150 Approved
0.5977 Remote Similarity NPD7151 Approved
0.5977 Remote Similarity NPD7152 Approved

Structure

External Identifiers

PubChem CID   21668974
ChEMBL   CHEMBL463904
ZINC  

Physicochemical Properties

Molecular Weight:  318.22
ALogP:  0.9264
MLogP:  3.33
XLogP:  5.062
# Rotatable Bonds:  8
Polar Surface Area:  46.67
# H-Bond Aceptor:  3
# H-Bond Donor:  0
# Rings:  3
# 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