Natural Product: NPC177932

Natural Product ID:  NPC177932
Common Name:   Alpha-Santonin
IUPAC Name:   (3S,3aS,5aS,9bS)-3,5a,9-trimethyl-3a,4,5,9b-tetrahydro-3H-benzo[g][1]benzofuran-2,8-dione
Synonyms:   Alpha-Santonin; Santonin
Molecular Formula:   C15H18O3
Standard InCHIKey:  XJHDMGJURBVLLE-BOCCBSBMSA-N
Standard InCHI:  InChI=1S/C15H18O3/c1-8-10-4-6-15(3)7-5-11(16)9(2)12(15)13(10)18-14(8)17/h5,7-8,10,13H,4,6H2,1-3H3/t8-,10-,13-,15-/m0/s1
Canonical SMILES:  C[C@@H]1C(=O)O[C@H]2[C@H]1CC[C@@]1(C2=C(C)C(=O)C=C1)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
NPO27355 Pseudokeronopsis rubra Species Pseudokeronopsidae Eukaryota UNPD*
NPO13069 Piper wrightii Species Piperaceae Eukaryota UNPD*
NPO27708 Mythimna separata Species Noctuidae Eukaryota UNPD*
NPO27155 Aconitum nasutum Species Ranunculaceae Eukaryota UNPD*
NPO27227 Matricaria occidentalis Species Asteraceae Eukaryota UNPD*
NPO27533 Senecio bergii Species Asteraceae Eukaryota UNPD*
NPO27265 Hopea parviflora Species Dipterocarpaceae Eukaryota UNPD*
NPO27836 Gymnodinium microadriaticum Species Gymnodiniaceae Eukaryota UNPD*
NPO15918 Nidema boothii Species Orchidaceae Eukaryota UNPD*
NPO27304 Stevia sanguinea Species Asteraceae Eukaryota UNPD*
NPO27447 Yucca aloifolia Species Asparagaceae Eukaryota UNPD*
NPO13249 Crudia amazonica Species Fabaceae Eukaryota UNPD*
NPO6164 Lasiosiphon eriocephalus Species Thymelaeaceae Eukaryota UNPD*
NPO27073 Poranthera corymbosa Species Phyllanthaceae Eukaryota UNPD*
NPO27519 Alternaria chrysanthemi Species Pleosporaceae Eukaryota UNPD*
NPO14097 Verrucosispora gifhornensis Species Micromonosporaceae Bacteria UNPD*
NPO2137 Helipterum corymbiflorum Species Asteraceae Eukaryota UNPD*
NPO7892 Paubrasilia echinata Species Fabaceae Eukaryota UNPD*
NPO5306 Infundibulicybe catinus Species Tricholomataceae Eukaryota UNPD*
NPO27409 Scabiosa atropurpurea Species Caprifoliaceae Eukaryota UNPD*
NPO27554 Doryanthes palmeri Species Doryanthaceae Eukaryota UNPD*
NPO14226 Cotyledon orbiculata Species Crassulaceae 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 ED50 = 2.8 nM 3290484
NPT2 Others Unspecified IC50 > 568400 nM 18271521
NPT2 Others Unspecified IC50 > 568400 nM 1431933
NPT249 Individual Protein Glucocorticoid receptor Homo sapiens FC = 59 18334300
NPT116 Cell Line HL-60 Homo sapiens IC50 > 100000 nM 19406535
NPT399 Cell Line SF-295 Homo sapiens IC50 > 100000 nM 19406535
NPT180 Cell Line HCT-8 Homo sapiens IC50 > 100000 nM 19406535
NPT400 Cell Line MDA-MB-435 Homo sapiens IC50 > 100000 nM 19406535
NPT403 Cell Line UACC-257 Homo sapiens IC50 > 100000 nM 19406535
NPT81 Cell Line A549 Homo sapiens IC50 > 100000 nM 19406535
NPT381 Cell Line OVCAR-8 Homo sapiens IC50 > 100000 nM 19406535
NPT2280 Cell Line A704 Homo sapiens IC50 > 100000 nM 19406535
NPT306 Cell Line PC-3 Homo sapiens IC50 > 100000 nM 19406535
NPT6 Organism Plasmodium falciparum Plasmodium falciparum Potency 10417.9 nM PubChem BioAssay data set
NPT10 Individual Protein Geminin Homo sapiens Potency 4.6 nM PubChem BioAssay data set
NPT66 Individual Protein Acetylcholinesterase Electrophorus electricus Inhibition = 3.63 % 23062825
NPT67 Individual Protein Cholinesterase Equus caballus Inhibition = -3.62 % 23062825
NPT2 Others Unspecified Inhibition = -40.24 % 23314050
NPT2 Others Unspecified Inhibition = 3.65 % 23314050
NPT2 Others Unspecified Inhibition = -23.07 % 23314050
NPT2 Others Unspecified Inhibition = -6.09 % 23314050
NPT2 Others Unspecified Inhibition = -36.75 % 23314050
NPT2 Others Unspecified Inhibition = -25.64 % 23314050
NPT73 Individual Protein Solute carrier organic anion transporter family member 1B1 Homo sapiens Inhibition = 108.86 % 23571415
NPT72 Individual Protein Solute carrier organic anion transporter family member 1B3 Homo sapiens Inhibition = 89.43 % 23571415
NPT2 Others Unspecified Potency 29849.3 nM PubChem BioAssay data set
NPT2 Others Unspecified AC50 707.9 nM PubChem BioAssay data set
NPT2 Others Unspecified AC50 3548.1 nM PubChem BioAssay data set
NPT2 Others Unspecified AC50 3162.3 nM PubChem BioAssay data set
NPT306 Cell Line PC-3 Homo sapiens IC50 > 50000 nM 26222449
NPT83 Cell Line MCF7 Homo sapiens IC50 > 50000 nM 26222449
NPT81 Cell Line A549 Homo sapiens IC50 > 50000 nM 26222449
NPT393 Cell Line HCT-116 Homo sapiens IC50 > 50000 nM 26222449

  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 NPC177932 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
0.9398 High Similarity NPC215831
0.9286 High Similarity NPC73995
0.8953 High Similarity NPC152467
0.8864 High Similarity NPC477129
0.8864 High Similarity NPC477130
0.8795 High Similarity NPC22611
0.878 High Similarity NPC475665
0.8778 High Similarity NPC91695
0.8778 High Similarity NPC70145
0.8721 High Similarity NPC477128
0.8721 High Similarity NPC226863
0.869 High Similarity NPC30486
0.8636 High Similarity NPC252433
0.8621 High Similarity NPC173042
0.8588 High Similarity NPC189311
0.8556 High Similarity NPC183012
0.8554 High Similarity NPC38642
0.8452 Intermediate Similarity NPC178676
0.8452 Intermediate Similarity NPC186276
0.8444 Intermediate Similarity NPC470697
0.8434 Intermediate Similarity NPC195424
0.8427 Intermediate Similarity NPC233345
0.8427 Intermediate Similarity NPC186363
0.8395 Intermediate Similarity NPC40353
0.8372 Intermediate Similarity NPC110405
0.837 Intermediate Similarity NPC84335
0.837 Intermediate Similarity NPC38530
0.8353 Intermediate Similarity NPC193198
0.8333 Intermediate Similarity NPC475657
0.8333 Intermediate Similarity NPC282293
0.8315 Intermediate Similarity NPC8062
0.8315 Intermediate Similarity NPC220454
0.8315 Intermediate Similarity NPC469595
0.8315 Intermediate Similarity NPC469372
0.8315 Intermediate Similarity NPC212679
0.8313 Intermediate Similarity NPC150646
0.8295 Intermediate Similarity NPC277771
0.8293 Intermediate Similarity NPC316500
0.8293 Intermediate Similarity NPC187568
0.8293 Intermediate Similarity NPC41780
0.8276 Intermediate Similarity NPC250981
0.8242 Intermediate Similarity NPC38830
0.8235 Intermediate Similarity NPC226988
0.8222 Intermediate Similarity NPC49420
0.8222 Intermediate Similarity NPC473944
0.8202 Intermediate Similarity NPC5509
0.8202 Intermediate Similarity NPC168131
0.8193 Intermediate Similarity NPC184737
0.8172 Intermediate Similarity NPC2049
0.8161 Intermediate Similarity NPC33570
0.8161 Intermediate Similarity NPC161957
0.8161 Intermediate Similarity NPC21471
0.8161 Intermediate Similarity NPC52628
0.814 Intermediate Similarity NPC194637
0.8085 Intermediate Similarity NPC252295
0.8072 Intermediate Similarity NPC65603
0.8068 Intermediate Similarity NPC220478
0.8046 Intermediate Similarity NPC159635
0.8046 Intermediate Similarity NPC219011
0.8043 Intermediate Similarity NPC84893
0.8041 Intermediate Similarity NPC189616
0.8023 Intermediate Similarity NPC200513
0.8022 Intermediate Similarity NPC65513
0.8 Intermediate Similarity NPC288699
0.8 Intermediate Similarity NPC473219
0.8 Intermediate Similarity NPC284561
0.8 Intermediate Similarity NPC268827
0.8 Intermediate Similarity NPC470761
0.7979 Intermediate Similarity NPC292133
0.7979 Intermediate Similarity NPC474343
0.7979 Intermediate Similarity NPC110937
0.7976 Intermediate Similarity NPC35574
0.7976 Intermediate Similarity NPC128276
0.7976 Intermediate Similarity NPC471220
0.7959 Intermediate Similarity NPC477125
0.7957 Intermediate Similarity NPC316215
0.7955 Intermediate Similarity NPC476678
0.7952 Intermediate Similarity NPC235906
0.7952 Intermediate Similarity NPC41017
0.7938 Intermediate Similarity NPC132395
0.7938 Intermediate Similarity NPC471365
0.7938 Intermediate Similarity NPC471364
0.7938 Intermediate Similarity NPC254202
0.7935 Intermediate Similarity NPC166346
0.7935 Intermediate Similarity NPC115021
0.7935 Intermediate Similarity NPC139692
0.7935 Intermediate Similarity NPC79117
0.7931 Intermediate Similarity NPC118423
0.7931 Intermediate Similarity NPC39588
0.7917 Intermediate Similarity NPC168319
0.7917 Intermediate Similarity NPC194028
0.7912 Intermediate Similarity NPC158488
0.7912 Intermediate Similarity NPC475965
0.7912 Intermediate Similarity NPC161638
0.7912 Intermediate Similarity NPC76286
0.7912 Intermediate Similarity NPC474842
0.7907 Intermediate Similarity NPC42470
0.7895 Intermediate Similarity NPC108368
0.7895 Intermediate Similarity NPC216478
0.7895 Intermediate Similarity NPC57079
0.7895 Intermediate Similarity NPC316598
0.7895 Intermediate Similarity NPC176845
0.7895 Intermediate Similarity NPC23364
0.7889 Intermediate Similarity NPC474845
0.7882 Intermediate Similarity NPC63649
0.7882 Intermediate Similarity NPC472965
0.7882 Intermediate Similarity NPC264227
0.7872 Intermediate Similarity NPC307164
0.7872 Intermediate Similarity NPC202833
0.7872 Intermediate Similarity NPC112654
0.7865 Intermediate Similarity NPC6979
0.7865 Intermediate Similarity NPC9231
0.7865 Intermediate Similarity NPC85698
0.7857 Intermediate Similarity NPC189206
0.7857 Intermediate Similarity NPC57744
0.7849 Intermediate Similarity NPC250075
0.7841 Intermediate Similarity NPC475100
0.7841 Intermediate Similarity NPC149869
0.7841 Intermediate Similarity NPC139566
0.7841 Intermediate Similarity NPC470011
0.7835 Intermediate Similarity NPC58329
0.7831 Intermediate Similarity NPC138408
0.7831 Intermediate Similarity NPC193351
0.7831 Intermediate Similarity NPC155587
0.7831 Intermediate Similarity NPC226669
0.7826 Intermediate Similarity NPC284185
0.7826 Intermediate Similarity NPC72845
0.7826 Intermediate Similarity NPC303697
0.7816 Intermediate Similarity NPC268122
0.7812 Intermediate Similarity NPC474012
0.7812 Intermediate Similarity NPC470906
0.7812 Intermediate Similarity NPC476299
0.7802 Intermediate Similarity NPC177141
0.7802 Intermediate Similarity NPC50488
0.7802 Intermediate Similarity NPC474396
0.7791 Intermediate Similarity NPC69271
0.7791 Intermediate Similarity NPC172013
0.7791 Intermediate Similarity NPC74673
0.7791 Intermediate Similarity NPC302426
0.7789 Intermediate Similarity NPC10057
0.7789 Intermediate Similarity NPC253826
0.7778 Intermediate Similarity NPC305029
0.7778 Intermediate Similarity NPC477228
0.7778 Intermediate Similarity NPC181103
0.7778 Intermediate Similarity NPC312561
0.7778 Intermediate Similarity NPC175293
0.7766 Intermediate Similarity NPC33473
0.7766 Intermediate Similarity NPC473369
0.7766 Intermediate Similarity NPC295347
0.7753 Intermediate Similarity NPC300985
0.7753 Intermediate Similarity NPC65661
0.7753 Intermediate Similarity NPC147921
0.7753 Intermediate Similarity NPC86316
0.7753 Intermediate Similarity NPC106416
0.7753 Intermediate Similarity NPC323765
0.7742 Intermediate Similarity NPC229976
0.7738 Intermediate Similarity NPC27205
0.7738 Intermediate Similarity NPC266159
0.7738 Intermediate Similarity NPC473223
0.7738 Intermediate Similarity NPC92489
0.7738 Intermediate Similarity NPC472967
0.7732 Intermediate Similarity NPC224720
0.7732 Intermediate Similarity NPC476223
0.7732 Intermediate Similarity NPC476240
0.7732 Intermediate Similarity NPC310981
0.7727 Intermediate Similarity NPC215294
0.7727 Intermediate Similarity NPC222358
0.7727 Intermediate Similarity NPC470948
0.7717 Intermediate Similarity NPC101651
0.7717 Intermediate Similarity NPC159748
0.7717 Intermediate Similarity NPC253144
0.7717 Intermediate Similarity NPC273199
0.7717 Intermediate Similarity NPC471818
0.7717 Intermediate Similarity NPC51486
0.7711 Intermediate Similarity NPC476355
0.7708 Intermediate Similarity NPC234617
0.7708 Intermediate Similarity NPC124703
0.7708 Intermediate Similarity NPC478056
0.7701 Intermediate Similarity NPC471325
0.7701 Intermediate Similarity NPC474955
0.7701 Intermediate Similarity NPC281949
0.7701 Intermediate Similarity NPC25684
0.7701 Intermediate Similarity NPC301477
0.77 Intermediate Similarity NPC133422
0.77 Intermediate Similarity NPC110496
0.7692 Intermediate Similarity NPC472302
0.7692 Intermediate Similarity NPC477302
0.7692 Intermediate Similarity NPC24816
0.7692 Intermediate Similarity NPC136879
0.7684 Intermediate Similarity NPC242848
0.7684 Intermediate Similarity NPC29952
0.7684 Intermediate Similarity NPC154526
0.7684 Intermediate Similarity NPC134072
0.7684 Intermediate Similarity NPC234993
0.7684 Intermediate Similarity NPC472363
0.7684 Intermediate Similarity NPC472362
0.7683 Intermediate Similarity NPC129665
0.7683 Intermediate Similarity NPC163003
0.7677 Intermediate Similarity NPC296950
0.7677 Intermediate Similarity NPC118911

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC177932 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
1.0 High Similarity NPD1694 Approved
0.8023 Intermediate Similarity NPD4752 Clinical (unspecified phase)
0.7667 Intermediate Similarity NPD6409 Approved
0.7667 Intermediate Similarity NPD7521 Approved
0.7667 Intermediate Similarity NPD6684 Approved
0.7667 Intermediate Similarity NPD7334 Approved
0.7667 Intermediate Similarity NPD5330 Approved
0.7667 Intermediate Similarity NPD7146 Approved
0.7582 Intermediate Similarity NPD3573 Approved
0.75 Intermediate Similarity NPD7513 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD6903 Approved
0.7474 Intermediate Similarity NPD7901 Clinical (unspecified phase)
0.7474 Intermediate Similarity NPD7900 Approved
0.7396 Intermediate Similarity NPD1698 Clinical (unspecified phase)
0.7396 Intermediate Similarity NPD6356 Clinical (unspecified phase)
0.7347 Intermediate Similarity NPD4225 Approved
0.734 Intermediate Similarity NPD5207 Approved
0.7312 Intermediate Similarity NPD5737 Approved
0.7312 Intermediate Similarity NPD6672 Approved
0.7292 Intermediate Similarity NPD6001 Approved
0.7292 Intermediate Similarity NPD7748 Approved
0.7283 Intermediate Similarity NPD3618 Phase 1
0.7263 Intermediate Similarity NPD5693 Phase 1
0.7245 Intermediate Similarity NPD7902 Approved
0.7222 Intermediate Similarity NPD5209 Approved
0.7222 Intermediate Similarity NPD7115 Discovery
0.7209 Intermediate Similarity NPD8039 Approved
0.7172 Intermediate Similarity NPD7638 Approved
0.7158 Intermediate Similarity NPD5785 Approved
0.71 Intermediate Similarity NPD7639 Approved
0.71 Intermediate Similarity NPD7640 Approved
0.7087 Intermediate Similarity NPD6008 Approved
0.7083 Intermediate Similarity NPD6079 Approved
0.7083 Intermediate Similarity NPD7515 Phase 2
0.7019 Intermediate Similarity NPD5954 Clinical (unspecified phase)
0.7019 Intermediate Similarity NPD5697 Approved
0.701 Intermediate Similarity NPD6399 Phase 3
0.6952 Remote Similarity NPD6899 Approved
0.6952 Remote Similarity NPD6881 Approved
0.6952 Remote Similarity NPD6011 Approved
0.6947 Remote Similarity NPD5208 Approved
0.6916 Remote Similarity NPD6649 Approved
0.6916 Remote Similarity NPD6650 Approved
0.6915 Remote Similarity NPD3574 Clinical (unspecified phase)
0.6907 Remote Similarity NPD5694 Approved
0.6887 Remote Similarity NPD6012 Approved
0.6887 Remote Similarity NPD6014 Approved
0.6887 Remote Similarity NPD6013 Approved
0.6882 Remote Similarity NPD3665 Phase 1
0.6882 Remote Similarity NPD3666 Approved
0.6882 Remote Similarity NPD3133 Approved
0.6875 Remote Similarity NPD6904 Approved
0.6875 Remote Similarity NPD6080 Approved
0.6875 Remote Similarity NPD6673 Approved
0.6875 Remote Similarity NPD5328 Approved
0.6875 Remote Similarity NPD1695 Approved
0.6869 Remote Similarity NPD5695 Phase 3
0.6832 Remote Similarity NPD5696 Approved
0.6822 Remote Similarity NPD7290 Approved
0.6822 Remote Similarity NPD5955 Clinical (unspecified phase)
0.6822 Remote Similarity NPD6883 Approved
0.6822 Remote Similarity NPD7102 Approved
0.6809 Remote Similarity NPD1733 Clinical (unspecified phase)
0.6804 Remote Similarity NPD5692 Phase 3
0.68 Remote Similarity NPD5220 Clinical (unspecified phase)
0.68 Remote Similarity NPD5222 Approved
0.68 Remote Similarity NPD5221 Approved
0.6762 Remote Similarity NPD5739 Approved
0.6762 Remote Similarity NPD6675 Approved
0.6762 Remote Similarity NPD6402 Approved
0.6762 Remote Similarity NPD7128 Approved
0.6759 Remote Similarity NPD6869 Approved
0.6759 Remote Similarity NPD6847 Approved
0.6759 Remote Similarity NPD6617 Approved
0.6759 Remote Similarity NPD8130 Phase 1
0.6737 Remote Similarity NPD4519 Discontinued
0.6737 Remote Similarity NPD4623 Approved
0.6737 Remote Similarity NPD6098 Approved
0.6735 Remote Similarity NPD5284 Approved
0.6735 Remote Similarity NPD6050 Approved
0.6735 Remote Similarity NPD5281 Approved
0.6733 Remote Similarity NPD5173 Approved
0.6733 Remote Similarity NPD6084 Phase 2
0.6733 Remote Similarity NPD6083 Phase 2
0.6729 Remote Similarity NPD6373 Approved
0.6729 Remote Similarity NPD6372 Approved
0.6729 Remote Similarity NPD4061 Clinical (unspecified phase)
0.6701 Remote Similarity NPD6051 Approved
0.6698 Remote Similarity NPD5701 Approved
0.6697 Remote Similarity NPD6882 Approved
0.6697 Remote Similarity NPD8297 Approved
0.6667 Remote Similarity NPD4202 Approved
0.6667 Remote Similarity NPD3667 Approved
0.6636 Remote Similarity NPD7320 Approved
0.6636 Remote Similarity NPD6686 Approved
0.6635 Remote Similarity NPD7632 Discontinued
0.6635 Remote Similarity NPD5211 Phase 2
0.6634 Remote Similarity NPD4697 Phase 3
0.6632 Remote Similarity NPD5363 Approved
0.6602 Remote Similarity NPD4696 Approved
0.6602 Remote Similarity NPD5286 Approved
0.6602 Remote Similarity NPD5285 Approved
0.6593 Remote Similarity NPD5784 Clinical (unspecified phase)
0.6566 Remote Similarity NPD6411 Approved
0.6562 Remote Similarity NPD5279 Phase 3
0.6562 Remote Similarity NPD5690 Phase 2
0.6552 Remote Similarity NPD4691 Approved
0.6548 Remote Similarity NPD2685 Clinical (unspecified phase)
0.6538 Remote Similarity NPD5223 Approved
0.6535 Remote Similarity NPD4629 Approved
0.6535 Remote Similarity NPD5210 Approved
0.6535 Remote Similarity NPD5654 Approved
0.6526 Remote Similarity NPD3668 Phase 3
0.6526 Remote Similarity NPD4786 Approved
0.6522 Remote Similarity NPD6291 Clinical (unspecified phase)
0.6518 Remote Similarity NPD6868 Approved
0.6517 Remote Similarity NPD4058 Approved
0.6509 Remote Similarity NPD5141 Approved
0.65 Remote Similarity NPD5778 Approved
0.65 Remote Similarity NPD5779 Approved
0.6489 Remote Similarity NPD4221 Approved
0.6489 Remote Similarity NPD4223 Phase 3
0.6486 Remote Similarity NPD4632 Approved
0.6476 Remote Similarity NPD5225 Approved
0.6476 Remote Similarity NPD4633 Approved
0.6476 Remote Similarity NPD5224 Approved
0.6476 Remote Similarity NPD5226 Approved
0.6471 Remote Similarity NPD7732 Phase 3
0.646 Remote Similarity NPD6317 Approved
0.6455 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6452 Remote Similarity NPD4695 Discontinued
0.6437 Remote Similarity NPD4137 Phase 3
0.6436 Remote Similarity NPD5282 Discontinued
0.6415 Remote Similarity NPD5175 Approved
0.6415 Remote Similarity NPD6052 Approved
0.6415 Remote Similarity NPD5174 Approved
0.6413 Remote Similarity NPD3617 Approved
0.6408 Remote Similarity NPD5959 Approved
0.6408 Remote Similarity NPD4755 Approved
0.6404 Remote Similarity NPD6313 Approved
0.6404 Remote Similarity NPD6335 Approved
0.6404 Remote Similarity NPD6314 Approved
0.64 Remote Similarity NPD8034 Phase 2
0.64 Remote Similarity NPD8035 Phase 2
0.6389 Remote Similarity NPD6614 Approved
0.6372 Remote Similarity NPD6274 Approved
0.6364 Remote Similarity NPD6371 Approved
0.6364 Remote Similarity NPD4753 Phase 2
0.6364 Remote Similarity NPD4747 Approved
0.6364 Remote Similarity NPD7285 Clinical (unspecified phase)
0.6364 Remote Similarity NPD6101 Approved
0.6364 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6354 Remote Similarity NPD4197 Approved
0.6348 Remote Similarity NPD7100 Approved
0.6348 Remote Similarity NPD7101 Approved
0.6333 Remote Similarity NPD4687 Approved
0.6316 Remote Similarity NPD4270 Approved
0.6316 Remote Similarity NPD6009 Approved
0.6316 Remote Similarity NPD4269 Approved
0.6311 Remote Similarity NPD5349 Clinical (unspecified phase)
0.63 Remote Similarity NPD46 Approved
0.63 Remote Similarity NPD6698 Approved
0.6293 Remote Similarity NPD6319 Approved
0.6289 Remote Similarity NPD5329 Approved
0.6289 Remote Similarity NPD1696 Phase 3
0.6289 Remote Similarity NPD7520 Clinical (unspecified phase)
0.6286 Remote Similarity NPD4700 Approved
0.625 Remote Similarity NPD5362 Discontinued
0.625 Remote Similarity NPD7154 Phase 3
0.6239 Remote Similarity NPD5983 Phase 2
0.6239 Remote Similarity NPD7899 Clinical (unspecified phase)
0.6235 Remote Similarity NPD5325 Clinical (unspecified phase)
0.6224 Remote Similarity NPD4694 Approved
0.6224 Remote Similarity NPD4689 Approved
0.6224 Remote Similarity NPD4138 Approved
0.6224 Remote Similarity NPD4693 Phase 3
0.6224 Remote Similarity NPD5280 Approved
0.6224 Remote Similarity NPD4690 Approved
0.6224 Remote Similarity NPD5205 Approved
0.6224 Remote Similarity NPD4688 Approved
0.6224 Remote Similarity NPD5786 Approved
0.6218 Remote Similarity NPD7492 Approved
0.6211 Remote Similarity NPD5369 Approved
0.6195 Remote Similarity NPD7094 Approved
0.6195 Remote Similarity NPD6858 Approved
0.6186 Remote Similarity NPD6400 Clinical (unspecified phase)
0.6182 Remote Similarity NPD4730 Approved
0.6182 Remote Similarity NPD4729 Approved
0.6182 Remote Similarity NPD5345 Clinical (unspecified phase)
0.6182 Remote Similarity NPD5168 Approved
0.6179 Remote Similarity NPD7260 Phase 2
0.617 Remote Similarity NPD4195 Approved
0.6167 Remote Similarity NPD6616 Approved
0.6161 Remote Similarity NPD2181 Clinical (unspecified phase)
0.6154 Remote Similarity NPD5733 Approved
0.6154 Remote Similarity NPD7614 Phase 1
0.6154 Remote Similarity NPD6054 Approved
0.6146 Remote Similarity NPD6435 Approved
0.6134 Remote Similarity NPD7604 Phase 2
0.6132 Remote Similarity NPD6404 Discontinued

Structure

External Identifiers

PubChem CID   221071
ChEMBL   CHEMBL259254
ZINC  

Physicochemical Properties

Molecular Weight:  246.13
ALogP:  1.2533
MLogP:  2.78
XLogP:  2.045
# Rotatable Bonds:  3
Polar Surface Area:  43.37
# H-Bond Aceptor:  3
# H-Bond Donor:  0
# Rings:  3
# Heavy Atoms:  18

Download Data

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Biological Activities  
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