Natural Product: NPC475743

Natural Product ID:  NPC475743
Common Name:   8-Alpha-Hydroxy-11-Beta, 13-Dihydro-Onopordaldehyde
IUPAC Name:   (3S,3aR,4S,5aR,9R,9bR)-4-hydroxy-3,5a-dimethyl-2-oxo-3,3a,4,5,6,7,8,9,9a,9b-decahydrobenzo[g][1]benzofuran-9-carbaldehyde
Synonyms:  
Molecular Formula:   C15H22O4
Standard InCHIKey:  MQRHMIQHZYPICC-VIHXCKRTSA-N
Standard InCHI:  InChI=1S/C15H22O4/c1-8-11-10(17)6-15(2)5-3-4-9(7-16)12(15)13(11)19-14(8)18/h7-13,17H,3-6H2,1-2H3/t8-,9-,10-,11+,12?,13-,15+/m0/s1
Canonical SMILES:  O=C[C@@H]1CCC[C@]2(C1[C@H]1OC(=O)[C@H]([C@@H]1[C@H](C2)O)C)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
NPO10212 Centaurea pullata Species Asteraceae Eukaryota PMID[18280170]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT962 Organism Alternaria alternata Alternaria alternata MIC = 0.2 umol/ml DrugMatrix in vitro pharmacology data
NPT185 Organism Aspergillus flavus Aspergillus flavus MFC = 0.4 umol/ml DrugMatrix in vitro pharmacology data
NPT185 Organism Aspergillus flavus Aspergillus flavus MIC = 0.2 umol/ml 20363129
NPT21 Organism Aspergillus niger Aspergillus niger MFC = 0.6 umol/ml 23465614
NPT3608 Organism Salmonella enteritidis Salmonella enterica subsp. enterica serovar Enteritidis MIC = 0.3 umol/ml 10.6019/CHEMBL3392926
NPT3608 Organism Salmonella enteritidis Salmonella enterica subsp. enterica serovar Enteritidis MBC = 0.5 umol/ml 10.6019/CHEMBL3392926
NPT3695 Organism Penicillium funiculosum Penicillium funiculosum MFC = 0.6 umol/ml 17095232
NPT4945 Organism Fusarium tricinctum Fusarium tricinctum MIC = 0.2 umol/ml 25630222
NPT19 Organism Escherichia coli Escherichia coli MBC = 0.7 umol/ml 10.6019/CHEMBL1201861
NPT19 Organism Escherichia coli Escherichia coli MIC = 0.5 umol/ml 10.6019/CHEMBL1201861
NPT962 Organism Alternaria alternata Alternaria alternata MFC = 0.2 umol/ml 9599261
NPT3729 Organism Pseudomonas tolaasii Pseudomonas tolaasii MBC = 1.1 umol/ml 19969457
NPT3729 Organism Pseudomonas tolaasii Pseudomonas tolaasii MIC = 0.7 umol/ml 19555124
NPT3695 Organism Penicillium funiculosum Penicillium funiculosum MIC = 0.4 umol/ml 18024584
NPT6344 Organism Penicillium ochrochloron Penicillium ochrochloron MFC = 0.4 umol/ml 18391949
NPT4945 Organism Fusarium tricinctum Fusarium tricinctum MFC = 0.4 umol/ml PubChem BioAssay data set
NPT3176 Organism Aspergillus ochraceus Aspergillus ochraceus MIC = 0.4 umol/ml PubChem BioAssay data set
NPT17 Organism Staphylococcus epidermidis Staphylococcus epidermidis MBC = 1.1 umol/ml 11354387
NPT17 Organism Staphylococcus epidermidis Staphylococcus epidermidis MIC = 0.7 umol/ml 10649969
NPT2567 Organism Trichoderma viride Hypocrea rufa MIC = 0.4 umol/ml 10.6019/CHEMBL1201861
NPT2567 Organism Trichoderma viride Hypocrea rufa MFC = 0.4 umol/ml 18442909
NPT6344 Organism Penicillium ochrochloron Penicillium ochrochloron MIC = 0.4 umol/ml 18442909
NPT79 Organism Bacillus subtilis Bacillus subtilis MBC = 0.5 umol/ml 25517209
NPT79 Organism Bacillus subtilis Bacillus subtilis MIC = 0.3 umol/ml 25517209
NPT21 Organism Aspergillus niger Aspergillus niger MIC = 0.6 umol/ml 22939606
NPT3176 Organism Aspergillus ochraceus Aspergillus ochraceus MFC = 0.4 umol/ml 22731783
NPT729 Organism Micrococcus luteus Micrococcus luteus MBC = 0.7 umol/ml PubChem BioAssay data set
NPT729 Organism Micrococcus luteus Micrococcus luteus MIC = 0.5 umol/ml PubChem BioAssay data set

  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 NPC475743 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
0.974 High Similarity NPC15091
0.8961 High Similarity NPC307865
0.8889 High Similarity NPC473299
0.878 High Similarity NPC477445
0.8571 High Similarity NPC55508
0.8488 Intermediate Similarity NPC470114
0.8481 Intermediate Similarity NPC143250
0.8471 Intermediate Similarity NPC471221
0.8434 Intermediate Similarity NPC477434
0.8372 Intermediate Similarity NPC194642
0.8333 Intermediate Similarity NPC473350
0.8256 Intermediate Similarity NPC476435
0.8242 Intermediate Similarity NPC476807
0.8242 Intermediate Similarity NPC476806
0.8214 Intermediate Similarity NPC97505
0.8205 Intermediate Similarity NPC109510
0.8205 Intermediate Similarity NPC474755
0.8202 Intermediate Similarity NPC469596
0.8202 Intermediate Similarity NPC148000
0.8202 Intermediate Similarity NPC225474
0.8182 Intermediate Similarity NPC475878
0.8171 Intermediate Similarity NPC125366
0.8171 Intermediate Similarity NPC134227
0.8161 Intermediate Similarity NPC67653
0.8161 Intermediate Similarity NPC471459
0.8161 Intermediate Similarity NPC477443
0.8161 Intermediate Similarity NPC477440
0.8111 Intermediate Similarity NPC157686
0.8111 Intermediate Similarity NPC259042
0.8072 Intermediate Similarity NPC470156
0.8068 Intermediate Similarity NPC477444
0.8068 Intermediate Similarity NPC475211
0.8068 Intermediate Similarity NPC88337
0.8068 Intermediate Similarity NPC153853
0.8068 Intermediate Similarity NPC477433
0.8068 Intermediate Similarity NPC477442
0.8049 Intermediate Similarity NPC201276
0.8049 Intermediate Similarity NPC80891
0.8046 Intermediate Similarity NPC3032
0.8046 Intermediate Similarity NPC476379
0.8046 Intermediate Similarity NPC473319
0.8046 Intermediate Similarity NPC131104
0.8023 Intermediate Similarity NPC83242
0.8022 Intermediate Similarity NPC116683
0.8022 Intermediate Similarity NPC93245
0.8022 Intermediate Similarity NPC235109
0.8 Intermediate Similarity NPC79308
0.8 Intermediate Similarity NPC471044
0.8 Intermediate Similarity NPC473336
0.8 Intermediate Similarity NPC65133
0.8 Intermediate Similarity NPC24861
0.7976 Intermediate Similarity NPC477446
0.7976 Intermediate Similarity NPC470155
0.7976 Intermediate Similarity NPC477447
0.7955 Intermediate Similarity NPC200580
0.7952 Intermediate Similarity NPC472943
0.7952 Intermediate Similarity NPC472951
0.7935 Intermediate Similarity NPC472145
0.7935 Intermediate Similarity NPC473963
0.7931 Intermediate Similarity NPC239938
0.7927 Intermediate Similarity NPC34046
0.7927 Intermediate Similarity NPC80089
0.7927 Intermediate Similarity NPC224802
0.7927 Intermediate Similarity NPC171426
0.7927 Intermediate Similarity NPC324700
0.7912 Intermediate Similarity NPC82633
0.7912 Intermediate Similarity NPC62407
0.7912 Intermediate Similarity NPC287354
0.7907 Intermediate Similarity NPC478111
0.7907 Intermediate Similarity NPC477205
0.7901 Intermediate Similarity NPC474020
0.7889 Intermediate Similarity NPC476189
0.7889 Intermediate Similarity NPC147272
0.7865 Intermediate Similarity NPC50443
0.7865 Intermediate Similarity NPC18536
0.7857 Intermediate Similarity NPC209318
0.7857 Intermediate Similarity NPC223330
0.7857 Intermediate Similarity NPC280781
0.7857 Intermediate Similarity NPC470154
0.7857 Intermediate Similarity NPC48756
0.7857 Intermediate Similarity NPC58631
0.7849 Intermediate Similarity NPC474724
0.7849 Intermediate Similarity NPC472144
0.7841 Intermediate Similarity NPC226491
0.7841 Intermediate Similarity NPC477614
0.7841 Intermediate Similarity NPC236459
0.7826 Intermediate Similarity NPC475765
0.7826 Intermediate Similarity NPC163685
0.7826 Intermediate Similarity NPC193785
0.7826 Intermediate Similarity NPC475785
0.7826 Intermediate Similarity NPC473964
0.7816 Intermediate Similarity NPC248216
0.7805 Intermediate Similarity NPC207010
0.7805 Intermediate Similarity NPC317913
0.7802 Intermediate Similarity NPC470424
0.7791 Intermediate Similarity NPC237938
0.7791 Intermediate Similarity NPC219535
0.7791 Intermediate Similarity NPC475689
0.7778 Intermediate Similarity NPC474065
0.7766 Intermediate Similarity NPC47024
0.7765 Intermediate Similarity NPC121121
0.7765 Intermediate Similarity NPC208912
0.7765 Intermediate Similarity NPC2096
0.7753 Intermediate Similarity NPC116620
0.7753 Intermediate Similarity NPC61688
0.7742 Intermediate Similarity NPC136781
0.7738 Intermediate Similarity NPC474714
0.7727 Intermediate Similarity NPC470920
0.7711 Intermediate Similarity NPC472608
0.7711 Intermediate Similarity NPC191345
0.7711 Intermediate Similarity NPC252483
0.7701 Intermediate Similarity NPC62572
0.7701 Intermediate Similarity NPC476715
0.7684 Intermediate Similarity NPC475958
0.7683 Intermediate Similarity NPC4209
0.7674 Intermediate Similarity NPC227170
0.7674 Intermediate Similarity NPC474346
0.7674 Intermediate Similarity NPC475820
0.7674 Intermediate Similarity NPC474284
0.7674 Intermediate Similarity NPC213737
0.7674 Intermediate Similarity NPC474253
0.7667 Intermediate Similarity NPC77756
0.7667 Intermediate Similarity NPC472146
0.7667 Intermediate Similarity NPC475776
0.7667 Intermediate Similarity NPC185529
0.7662 Intermediate Similarity NPC84562
0.766 Intermediate Similarity NPC28864
0.766 Intermediate Similarity NPC98837
0.766 Intermediate Similarity NPC38296
0.766 Intermediate Similarity NPC162459
0.766 Intermediate Similarity NPC253995
0.766 Intermediate Similarity NPC20479
0.766 Intermediate Similarity NPC216478
0.766 Intermediate Similarity NPC38471
0.766 Intermediate Similarity NPC89099
0.7654 Intermediate Similarity NPC470151
0.7653 Intermediate Similarity NPC284732
0.7653 Intermediate Similarity NPC78966
0.7647 Intermediate Similarity NPC474870
0.7647 Intermediate Similarity NPC271572
0.7647 Intermediate Similarity NPC211049
0.764 Intermediate Similarity NPC221993
0.7634 Intermediate Similarity NPC165528
0.7634 Intermediate Similarity NPC256227
0.7634 Intermediate Similarity NPC284518
0.7634 Intermediate Similarity NPC228766
0.7619 Intermediate Similarity NPC474754
0.7614 Intermediate Similarity NPC155531
0.7614 Intermediate Similarity NPC476717
0.7614 Intermediate Similarity NPC235196
0.7614 Intermediate Similarity NPC228593
0.7614 Intermediate Similarity NPC474215
0.7614 Intermediate Similarity NPC302111
0.7614 Intermediate Similarity NPC477441
0.7614 Intermediate Similarity NPC475729
0.7614 Intermediate Similarity NPC215968
0.76 Intermediate Similarity NPC306750
0.7586 Intermediate Similarity NPC181871
0.7586 Intermediate Similarity NPC18953
0.7586 Intermediate Similarity NPC25037
0.7586 Intermediate Similarity NPC34984
0.7586 Intermediate Similarity NPC9060
0.7582 Intermediate Similarity NPC216137
0.7582 Intermediate Similarity NPC52756
0.7579 Intermediate Similarity NPC293890
0.7579 Intermediate Similarity NPC477655
0.7579 Intermediate Similarity NPC293866
0.7579 Intermediate Similarity NPC477656
0.7576 Intermediate Similarity NPC37628
0.7564 Intermediate Similarity NPC476928
0.7564 Intermediate Similarity NPC41542
0.7561 Intermediate Similarity NPC212733
0.7558 Intermediate Similarity NPC311642
0.7558 Intermediate Similarity NPC289486
0.7558 Intermediate Similarity NPC61107
0.7558 Intermediate Similarity NPC100366
0.7558 Intermediate Similarity NPC164289
0.7558 Intermediate Similarity NPC60018
0.7558 Intermediate Similarity NPC202688
0.7558 Intermediate Similarity NPC242771
0.7558 Intermediate Similarity NPC154043
0.7556 Intermediate Similarity NPC77001
0.7556 Intermediate Similarity NPC253618
0.7553 Intermediate Similarity NPC10864
0.7553 Intermediate Similarity NPC471241
0.7553 Intermediate Similarity NPC253586
0.7529 Intermediate Similarity NPC477851
0.7529 Intermediate Similarity NPC261616
0.7528 Intermediate Similarity NPC110365
0.7528 Intermediate Similarity NPC62202
0.7528 Intermediate Similarity NPC45833
0.7528 Intermediate Similarity NPC305029
0.7528 Intermediate Similarity NPC213658
0.7526 Intermediate Similarity NPC72842
0.7526 Intermediate Similarity NPC156681
0.7526 Intermediate Similarity NPC61442
0.7526 Intermediate Similarity NPC96217
0.75 Intermediate Similarity NPC31031
0.75 Intermediate Similarity NPC243594
0.75 Intermediate Similarity NPC475307

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC475743 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
0.7927 Intermediate Similarity NPD6115 Approved
0.7927 Intermediate Similarity NPD6118 Approved
0.7927 Intermediate Similarity NPD6114 Approved
0.7927 Intermediate Similarity NPD6697 Approved
0.7805 Intermediate Similarity NPD6116 Phase 1
0.7683 Intermediate Similarity NPD6117 Approved
0.7439 Intermediate Similarity NPD6113 Clinical (unspecified phase)
0.7349 Intermediate Similarity NPD3703 Phase 2
0.716 Intermediate Similarity NPD3700 Clinical (unspecified phase)
0.716 Intermediate Similarity NPD3699 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD1700 Approved
0.7021 Intermediate Similarity NPD8035 Phase 2
0.7021 Intermediate Similarity NPD8034 Phase 2
0.6988 Remote Similarity NPD4808 Clinical (unspecified phase)
0.6988 Remote Similarity NPD4809 Clinical (unspecified phase)
0.6941 Remote Similarity NPD3702 Approved
0.6893 Remote Similarity NPD5345 Clinical (unspecified phase)
0.6875 Remote Similarity NPD3171 Clinical (unspecified phase)
0.6829 Remote Similarity NPD229 Approved
0.6827 Remote Similarity NPD4061 Clinical (unspecified phase)
0.679 Remote Similarity NPD4224 Phase 2
0.6786 Remote Similarity NPD5777 Approved
0.6762 Remote Similarity NPD5955 Clinical (unspecified phase)
0.6747 Remote Similarity NPD3698 Phase 2
0.6739 Remote Similarity NPD7520 Clinical (unspecified phase)
0.6667 Remote Similarity NPD1780 Approved
0.6667 Remote Similarity NPD1779 Approved
0.6667 Remote Similarity NPD4244 Approved
0.6667 Remote Similarity NPD4245 Approved
0.6667 Remote Similarity NPD8132 Clinical (unspecified phase)
0.6602 Remote Similarity NPD8170 Clinical (unspecified phase)
0.66 Remote Similarity NPD7638 Approved
0.6598 Remote Similarity NPD6399 Phase 3
0.6588 Remote Similarity NPD6081 Approved
0.6556 Remote Similarity NPD6928 Phase 2
0.6543 Remote Similarity NPD371 Approved
0.6535 Remote Similarity NPD7639 Approved
0.6535 Remote Similarity NPD7640 Approved
0.6522 Remote Similarity NPD3669 Approved
0.6522 Remote Similarity NPD3670 Clinical (unspecified phase)
0.6517 Remote Similarity NPD3671 Phase 1
0.65 Remote Similarity NPD7902 Approved
0.6476 Remote Similarity NPD5954 Clinical (unspecified phase)
0.6471 Remote Similarity NPD4789 Approved
0.6463 Remote Similarity NPD9496 Clinical (unspecified phase)
0.6429 Remote Similarity NPD5361 Clinical (unspecified phase)
0.6429 Remote Similarity NPD5360 Phase 3
0.6408 Remote Similarity NPD7632 Discontinued
0.6381 Remote Similarity NPD6402 Approved
0.6381 Remote Similarity NPD5739 Approved
0.6381 Remote Similarity NPD6675 Approved
0.6381 Remote Similarity NPD7128 Approved
0.6381 Remote Similarity NPD6008 Approved
0.6373 Remote Similarity NPD8418 Phase 2
0.6364 Remote Similarity NPD7748 Approved
0.6355 Remote Similarity NPD6372 Approved
0.6355 Remote Similarity NPD6373 Approved
0.6353 Remote Similarity NPD4267 Clinical (unspecified phase)
0.6327 Remote Similarity NPD7515 Phase 2
0.6321 Remote Similarity NPD5697 Approved
0.6321 Remote Similarity NPD5701 Approved
0.6316 Remote Similarity NPD3618 Phase 1
0.6279 Remote Similarity NPD7532 Clinical (unspecified phase)
0.6275 Remote Similarity NPD4225 Approved
0.6273 Remote Similarity NPD8133 Approved
0.6262 Remote Similarity NPD7320 Approved
0.6262 Remote Similarity NPD6899 Approved
0.6262 Remote Similarity NPD6881 Approved
0.625 Remote Similarity NPD8295 Clinical (unspecified phase)
0.6239 Remote Similarity NPD6650 Approved
0.6239 Remote Similarity NPD6649 Approved
0.6238 Remote Similarity NPD4697 Phase 3
0.6234 Remote Similarity NPD3729 Clinical (unspecified phase)
0.6234 Remote Similarity NPD615 Clinical (unspecified phase)
0.6207 Remote Similarity NPD4758 Discontinued
0.6204 Remote Similarity NPD6014 Approved
0.6204 Remote Similarity NPD6013 Approved
0.6204 Remote Similarity NPD6012 Approved
0.62 Remote Similarity NPD7901 Clinical (unspecified phase)
0.62 Remote Similarity NPD7900 Approved
0.6174 Remote Similarity NPD6921 Approved
0.6161 Remote Similarity NPD6940 Discontinued
0.6154 Remote Similarity NPD4238 Approved
0.6154 Remote Similarity NPD4802 Phase 2
0.6147 Remote Similarity NPD6883 Approved
0.6147 Remote Similarity NPD7102 Approved
0.6147 Remote Similarity NPD7290 Approved
0.6126 Remote Similarity NPD4632 Approved
0.6111 Remote Similarity NPD6011 Approved
0.6111 Remote Similarity NPD6686 Approved
0.6102 Remote Similarity NPD7507 Approved
0.61 Remote Similarity NPD8171 Discontinued
0.6091 Remote Similarity NPD6617 Approved
0.6091 Remote Similarity NPD8130 Phase 1
0.6091 Remote Similarity NPD6847 Approved
0.6091 Remote Similarity NPD6869 Approved
0.6087 Remote Similarity NPD6319 Approved
0.6083 Remote Similarity NPD7319 Approved
0.6067 Remote Similarity NPD1810 Approved
0.6067 Remote Similarity NPD1811 Approved
0.6064 Remote Similarity NPD3667 Approved
0.6049 Remote Similarity NPD3198 Approved
0.6042 Remote Similarity NPD1694 Approved
0.6036 Remote Similarity NPD6882 Approved
0.6036 Remote Similarity NPD8297 Approved
0.6019 Remote Similarity NPD4755 Approved
0.6019 Remote Similarity NPD6083 Phase 2
0.6019 Remote Similarity NPD6412 Phase 2
0.6019 Remote Similarity NPD6084 Phase 2
0.6017 Remote Similarity NPD7492 Approved
0.5978 Remote Similarity NPD5364 Discontinued
0.5966 Remote Similarity NPD6616 Approved
0.5965 Remote Similarity NPD6009 Approved
0.5962 Remote Similarity NPD5696 Approved
0.596 Remote Similarity NPD5328 Approved
0.5952 Remote Similarity NPD7909 Approved
0.5948 Remote Similarity NPD6054 Approved
0.5948 Remote Similarity NPD6059 Approved
0.5946 Remote Similarity NPD6401 Clinical (unspecified phase)
0.5941 Remote Similarity NPD4202 Approved
0.5938 Remote Similarity NPD4786 Approved
0.5932 Remote Similarity NPD8328 Phase 3
0.5917 Remote Similarity NPD8293 Discontinued
0.5917 Remote Similarity NPD7078 Approved
0.5905 Remote Similarity NPD5285 Approved
0.5905 Remote Similarity NPD4700 Approved
0.5905 Remote Similarity NPD4696 Approved
0.5905 Remote Similarity NPD5286 Approved
0.5897 Remote Similarity NPD6016 Approved
0.5897 Remote Similarity NPD5983 Phase 2
0.5897 Remote Similarity NPD6015 Approved
0.5877 Remote Similarity NPD6274 Approved
0.5868 Remote Similarity NPD7736 Approved
0.5847 Remote Similarity NPD6370 Approved
0.5847 Remote Similarity NPD5988 Approved
0.5842 Remote Similarity NPD6079 Approved
0.5842 Remote Similarity NPD7637 Suspended
0.5842 Remote Similarity NPD6411 Approved
0.5826 Remote Similarity NPD7115 Discovery
0.5825 Remote Similarity NPD6356 Clinical (unspecified phase)
0.5825 Remote Similarity NPD5695 Phase 3
0.5816 Remote Similarity NPD6684 Approved
0.5816 Remote Similarity NPD7334 Approved
0.5816 Remote Similarity NPD7521 Approved
0.5816 Remote Similarity NPD7146 Approved
0.5816 Remote Similarity NPD5330 Approved
0.5816 Remote Similarity NPD6409 Approved
0.5798 Remote Similarity NPD7604 Phase 2
0.5794 Remote Similarity NPD5224 Approved
0.5794 Remote Similarity NPD5225 Approved
0.5794 Remote Similarity NPD5226 Approved
0.5794 Remote Similarity NPD5211 Phase 2
0.5794 Remote Similarity NPD4633 Approved
0.5784 Remote Similarity NPD5779 Approved
0.5784 Remote Similarity NPD5778 Approved
0.5773 Remote Similarity NPD3133 Approved
0.5773 Remote Similarity NPD3666 Approved
0.5773 Remote Similarity NPD3665 Phase 1
0.5769 Remote Similarity NPD5220 Clinical (unspecified phase)
0.5769 Remote Similarity NPD5221 Approved
0.5769 Remote Similarity NPD5222 Approved
0.5763 Remote Similarity NPD6291 Clinical (unspecified phase)
0.5741 Remote Similarity NPD5174 Approved
0.5741 Remote Similarity NPD5175 Approved
0.5733 Remote Similarity NPD384 Approved
0.5733 Remote Similarity NPD385 Approved
0.573 Remote Similarity NPD4787 Phase 1
0.5729 Remote Similarity NPD4752 Clinical (unspecified phase)
0.5728 Remote Similarity NPD5282 Discontinued
0.5726 Remote Similarity NPD7101 Approved
0.5726 Remote Similarity NPD7100 Approved
0.5714 Remote Similarity NPD5173 Approved
0.5714 Remote Similarity NPD4634 Approved
0.5702 Remote Similarity NPD6336 Discontinued
0.5701 Remote Similarity NPD5223 Approved
0.57 Remote Similarity NPD5737 Approved
0.57 Remote Similarity NPD6672 Approved
0.57 Remote Similarity NPD7513 Clinical (unspecified phase)
0.57 Remote Similarity NPD6903 Approved
0.569 Remote Similarity NPD6317 Approved
0.5688 Remote Similarity NPD5141 Approved
0.5688 Remote Similarity NPD4056 Clinical (unspecified phase)
0.5688 Remote Similarity NPD4057 Clinical (unspecified phase)
0.5684 Remote Similarity NPD7525 Registered
0.5673 Remote Similarity NPD1698 Clinical (unspecified phase)
0.5673 Remote Similarity NPD7991 Discontinued
0.567 Remote Similarity NPD4788 Approved
0.5667 Remote Similarity NPD6067 Discontinued
0.5658 Remote Similarity NPD2266 Phase 2
0.5657 Remote Similarity NPD3574 Clinical (unspecified phase)
0.5644 Remote Similarity NPD5764 Clinical (unspecified phase)
0.5644 Remote Similarity NPD6101 Approved
0.5644 Remote Similarity NPD4753 Phase 2
0.5641 Remote Similarity NPD6335 Approved
0.5641 Remote Similarity NPD7327 Approved
0.5641 Remote Similarity NPD6314 Approved
0.5641 Remote Similarity NPD6313 Approved
0.5641 Remote Similarity NPD7328 Approved
0.5636 Remote Similarity NPD4768 Approved
0.5636 Remote Similarity NPD4767 Approved

Structure

External Identifiers

PubChem CID   44567330
ChEMBL   CHEMBL513613
ZINC  

Physicochemical Properties

Molecular Weight:  266.15
ALogP:  -0.6703
MLogP:  2.67
XLogP:  2.079
# Rotatable Bonds:  4
Polar Surface Area:  63.6
# H-Bond Aceptor:  4
# H-Bond Donor:  1
# Rings:  3
# Heavy Atoms:  19

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