Natural Product: NPC178382

Natural Product ID:  NPC178382
Common Name:   Atractylon
IUPAC Name:   (4aS,8aR)-3,8a-dimethyl-5-methylidene-4,4a,6,7,8,9-hexahydrobenzo[f][1]benzofuran
Synonyms:   Atractylon
Molecular Formula:   C15H20O
Standard InCHIKey:  TYPSVDGIQAOBAD-DZGCQCFKSA-N
Standard InCHI:  InChI=1S/C15H20O/c1-10-5-4-6-15(3)8-14-12(7-13(10)15)11(2)9-16-14/h9,13H,1,4-8H2,2-3H3/t13-,15+/m0/s1
Canonical SMILES:  C=C1CCC[C@]2([C@H]1Cc1c(C2)occ1C)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
NPO20902 Atractylodes macrocephala Species Asteraceae Eukaryota TCMID*
NPO12584 Atractylodes chinensis Species Asteraceae Eukaryota TCMID*
NPO16087 Atractylodes lancea Species Asteraceae Eukaryota TCMID*
NPO10355 Echinopsis macrogona Species Cactaceae Eukaryota UNPD*
NPO12584 Atractylodes chinensis Species Asteraceae Eukaryota TCM_Taiwan*
NPO16087 Atractylodes lancea Species Asteraceae Eukaryota TCM_Taiwan*
NPO20902 Atractylodes macrocephala Species Asteraceae Eukaryota TCM_Taiwan*
NPO16087 Atractylodes lancea Species Asteraceae Eukaryota PMID[9544564]
NPO8063 Clerodendrum calamitosum Species Lamiaceae Eukaryota UNPD*
NPO12584 Atractylodes chinensis Species Asteraceae Eukaryota TM-MC*
NPO16087 Atractylodes lancea Species Asteraceae Eukaryota TM-MC*
NPO20902 Atractylodes macrocephala Species Asteraceae Eukaryota TM-MC*
NPO15373 Actaea dahurica Species Ranunculaceae Eukaryota TM-MC*
NPO15890 Actaea cimicifuga Species Ranunculaceae Eukaryota TM-MC*
NPO389 Actaea heracleifolia Species Ranunculaceae Eukaryota TM-MC*
NPO2727 Actaea simplex Species Ranunculaceae Eukaryota TM-MC*
NPO4682 Lindera aggregata Species Lauraceae Eukaryota TM-MC*
NPO13346 Lindera strichnifolia Species Tineidae Eukaryota TM-MC*
NPO19048 Pinellia ternata Species Araceae Eukaryota TM-MC*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT1135 Cell Line Hepatocyte Rattus norvegicus Activity = 67 % 6418860
NPT1135 Cell Line Hepatocyte Rattus norvegicus Activity = 99 % 6418860
NPT1135 Cell Line Hepatocyte Rattus norvegicus Activity = 53 % 6418860
NPT1135 Cell Line Hepatocyte Rattus norvegicus Activity = 92 % 6418860
NPT1135 Cell Line Hepatocyte Rattus norvegicus Activity = 25 % 6418860
NPT1135 Cell Line Hepatocyte Rattus norvegicus Activity = 84 % 6418860
NPT2967 Individual Protein Alanine aminotransferase Rattus norvegicus Activity = 106 % 6418860
NPT570 Individual Protein Arachidonate 5-lipoxygenase Homo sapiens IC50 = 25100 nM 9544564
NPT30 Individual Protein Cyclooxygenase-1 Homo sapiens IC50 > 200000 nM 9544564
NPT1077 Organism Drosophila melanogaster Drosophila melanogaster LD50 = 1.43 ug 21520395

  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 NPC178382 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
0.9426 High Similarity NPC59502
0.9407 High Similarity NPC97566
0.931 High Similarity NPC79202
0.931 High Similarity NPC59035
0.8992 High Similarity NPC307401
0.8976 High Similarity NPC293253
0.8908 High Similarity NPC212918
0.888 High Similarity NPC329707
0.8855 High Similarity NPC202260
0.8837 High Similarity NPC324117
0.879 High Similarity NPC471074
0.879 High Similarity NPC473885
0.8661 High Similarity NPC198904
0.8657 High Similarity NPC263337
0.8636 High Similarity NPC177262
0.8593 High Similarity NPC205071
0.8593 High Similarity NPC64568
0.8571 High Similarity NPC233707
0.855 High Similarity NPC209858
0.8548 High Similarity NPC36255
0.8487 Intermediate Similarity NPC22678
0.848 Intermediate Similarity NPC272899
0.8467 Intermediate Similarity NPC56731
0.843 Intermediate Similarity NPC150895
0.8413 Intermediate Similarity NPC130275
0.8413 Intermediate Similarity NPC83115
0.8406 Intermediate Similarity NPC97904
0.8406 Intermediate Similarity NPC62799
0.8385 Intermediate Similarity NPC61788
0.837 Intermediate Similarity NPC18904
0.8346 Intermediate Similarity NPC230979
0.8346 Intermediate Similarity NPC303010
0.8345 Intermediate Similarity NPC71821
0.8333 Intermediate Similarity NPC114513
0.8333 Intermediate Similarity NPC16922
0.8333 Intermediate Similarity NPC245522
0.8333 Intermediate Similarity NPC290038
0.8321 Intermediate Similarity NPC473982
0.8286 Intermediate Similarity NPC93666
0.8286 Intermediate Similarity NPC19747
0.8273 Intermediate Similarity NPC478166
0.8273 Intermediate Similarity NPC233763
0.8271 Intermediate Similarity NPC476947
0.8261 Intermediate Similarity NPC84479
0.8261 Intermediate Similarity NPC158871
0.8258 Intermediate Similarity NPC218838
0.8235 Intermediate Similarity NPC473681
0.8235 Intermediate Similarity NPC61157
0.8235 Intermediate Similarity NPC218204
0.8227 Intermediate Similarity NPC211625
0.8226 Intermediate Similarity NPC87466
0.8226 Intermediate Similarity NPC243704
0.8222 Intermediate Similarity NPC471996
0.8217 Intermediate Similarity NPC246392
0.8217 Intermediate Similarity NPC290955
0.8209 Intermediate Similarity NPC214572
0.8209 Intermediate Similarity NPC46896
0.8203 Intermediate Similarity NPC290193
0.8203 Intermediate Similarity NPC179354
0.8182 Intermediate Similarity NPC471995
0.8182 Intermediate Similarity NPC279596
0.8169 Intermediate Similarity NPC228842
0.8169 Intermediate Similarity NPC212257
0.8154 Intermediate Similarity NPC477040
0.8154 Intermediate Similarity NPC279877
0.8154 Intermediate Similarity NPC26532
0.8154 Intermediate Similarity NPC327527
0.8154 Intermediate Similarity NPC476917
0.8148 Intermediate Similarity NPC310043
0.8148 Intermediate Similarity NPC4764
0.8145 Intermediate Similarity NPC227660
0.814 Intermediate Similarity NPC138139
0.814 Intermediate Similarity NPC23086
0.814 Intermediate Similarity NPC74612
0.814 Intermediate Similarity NPC46536
0.813 Intermediate Similarity NPC205523
0.8125 Intermediate Similarity NPC118853
0.8106 Intermediate Similarity NPC298190
0.8102 Intermediate Similarity NPC56197
0.8102 Intermediate Similarity NPC148374
0.8099 Intermediate Similarity NPC95526
0.8092 Intermediate Similarity NPC120836
0.8092 Intermediate Similarity NPC208389
0.8092 Intermediate Similarity NPC223063
0.8085 Intermediate Similarity NPC281398
0.8062 Intermediate Similarity NPC300098
0.8056 Intermediate Similarity NPC121615
0.8056 Intermediate Similarity NPC294511
0.8056 Intermediate Similarity NPC475777
0.8042 Intermediate Similarity NPC472298
0.803 Intermediate Similarity NPC476925
0.8016 Intermediate Similarity NPC137710
0.8015 Intermediate Similarity NPC112706
0.8015 Intermediate Similarity NPC477123
0.8015 Intermediate Similarity NPC215109
0.8015 Intermediate Similarity NPC477966
0.8015 Intermediate Similarity NPC170604
0.8015 Intermediate Similarity NPC207294
0.8 Intermediate Similarity NPC114880
0.8 Intermediate Similarity NPC217180
0.8 Intermediate Similarity NPC158525
0.8 Intermediate Similarity NPC312525
0.8 Intermediate Similarity NPC470858
0.7986 Intermediate Similarity NPC472787
0.7986 Intermediate Similarity NPC52412
0.7985 Intermediate Similarity NPC471006
0.7971 Intermediate Similarity NPC67003
0.7958 Intermediate Similarity NPC224418
0.7956 Intermediate Similarity NPC472376
0.7953 Intermediate Similarity NPC246214
0.7951 Intermediate Similarity NPC277525
0.7945 Intermediate Similarity NPC25351
0.7945 Intermediate Similarity NPC75310
0.7939 Intermediate Similarity NPC83178
0.7939 Intermediate Similarity NPC474737
0.7937 Intermediate Similarity NPC206007
0.7929 Intermediate Similarity NPC243577
0.791 Intermediate Similarity NPC239134
0.791 Intermediate Similarity NPC164295
0.7899 Intermediate Similarity NPC474722
0.7891 Intermediate Similarity NPC41880
0.7891 Intermediate Similarity NPC104736
0.7879 Intermediate Similarity NPC477039
0.7877 Intermediate Similarity NPC44606
0.7872 Intermediate Similarity NPC117674
0.7872 Intermediate Similarity NPC238843
0.7872 Intermediate Similarity NPC199044
0.7868 Intermediate Similarity NPC265793
0.7862 Intermediate Similarity NPC144010
0.7857 Intermediate Similarity NPC62103
0.7857 Intermediate Similarity NPC121158
0.7857 Intermediate Similarity NPC20578
0.7852 Intermediate Similarity NPC470740
0.7847 Intermediate Similarity NPC192069
0.7846 Intermediate Similarity NPC11799
0.7846 Intermediate Similarity NPC188377
0.7846 Intermediate Similarity NPC65735
0.7846 Intermediate Similarity NPC141252
0.7842 Intermediate Similarity NPC473983
0.7842 Intermediate Similarity NPC201370
0.7838 Intermediate Similarity NPC195954
0.7838 Intermediate Similarity NPC304692
0.7838 Intermediate Similarity NPC88007
0.7838 Intermediate Similarity NPC7059
0.7838 Intermediate Similarity NPC194499
0.7836 Intermediate Similarity NPC89133
0.7836 Intermediate Similarity NPC477645
0.7829 Intermediate Similarity NPC477967
0.7829 Intermediate Similarity NPC317217
0.7826 Intermediate Similarity NPC476943
0.7826 Intermediate Similarity NPC236532
0.7823 Intermediate Similarity NPC472785
0.7823 Intermediate Similarity NPC179170
0.7823 Intermediate Similarity NPC88958
0.782 Intermediate Similarity NPC50583
0.7817 Intermediate Similarity NPC93241
0.7817 Intermediate Similarity NPC185456
0.7817 Intermediate Similarity NPC27798
0.781 Intermediate Similarity NPC146872
0.7808 Intermediate Similarity NPC246164
0.7808 Intermediate Similarity NPC145830
0.7808 Intermediate Similarity NPC115869
0.7801 Intermediate Similarity NPC476946
0.7801 Intermediate Similarity NPC103134
0.7794 Intermediate Similarity NPC471998
0.7785 Intermediate Similarity NPC474611
0.7785 Intermediate Similarity NPC84349
0.7785 Intermediate Similarity NPC472823
0.777 Intermediate Similarity NPC265181
0.7762 Intermediate Similarity NPC470999
0.7762 Intermediate Similarity NPC471292
0.7761 Intermediate Similarity NPC45947
0.7755 Intermediate Similarity NPC282793
0.7755 Intermediate Similarity NPC10429
0.7754 Intermediate Similarity NPC470742
0.7754 Intermediate Similarity NPC64157
0.7754 Intermediate Similarity NPC278832
0.7754 Intermediate Similarity NPC42400
0.7746 Intermediate Similarity NPC251865
0.7733 Intermediate Similarity NPC287559
0.7733 Intermediate Similarity NPC8389
0.7727 Intermediate Similarity NPC83301
0.7718 Intermediate Similarity NPC81405
0.7714 Intermediate Similarity NPC90296
0.771 Intermediate Similarity NPC477038
0.771 Intermediate Similarity NPC477965
0.7708 Intermediate Similarity NPC302987
0.7708 Intermediate Similarity NPC216755
0.7708 Intermediate Similarity NPC471174
0.7703 Intermediate Similarity NPC472786
0.7703 Intermediate Similarity NPC469966
0.7698 Intermediate Similarity NPC130976
0.7692 Intermediate Similarity NPC5676
0.7692 Intermediate Similarity NPC41182
0.7686 Intermediate Similarity NPC42471
0.7682 Intermediate Similarity NPC68848
0.7682 Intermediate Similarity NPC471003
0.7682 Intermediate Similarity NPC18986
0.7682 Intermediate Similarity NPC79571
0.7681 Intermediate Similarity NPC217914

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC178382 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
0.7899 Intermediate Similarity NPD2343 Clinical (unspecified phase)
0.777 Intermediate Similarity NPD1471 Phase 3
0.7634 Intermediate Similarity NPD3972 Approved
0.754 Intermediate Similarity NPD1241 Discontinued
0.7538 Intermediate Similarity NPD3412 Clinical (unspecified phase)
0.7533 Intermediate Similarity NPD5616 Clinical (unspecified phase)
0.7519 Intermediate Similarity NPD1876 Approved
0.7518 Intermediate Similarity NPD8032 Phase 2
0.7466 Intermediate Similarity NPD6273 Approved
0.7462 Intermediate Similarity NPD1651 Approved
0.7424 Intermediate Similarity NPD1547 Clinical (unspecified phase)
0.7386 Intermediate Similarity NPD5537 Clinical (unspecified phase)
0.7293 Intermediate Similarity NPD1281 Approved
0.7273 Intermediate Similarity NPD2344 Approved
0.7254 Intermediate Similarity NPD2799 Discontinued
0.7237 Intermediate Similarity NPD5761 Phase 2
0.7237 Intermediate Similarity NPD5760 Phase 2
0.7197 Intermediate Similarity NPD5585 Approved
0.7185 Intermediate Similarity NPD5327 Phase 3
0.7153 Intermediate Similarity NPD2346 Discontinued
0.7153 Intermediate Similarity NPD2798 Approved
0.7143 Intermediate Similarity NPD17 Approved
0.7143 Intermediate Similarity NPD643 Clinical (unspecified phase)
0.7132 Intermediate Similarity NPD1283 Approved
0.7123 Intermediate Similarity NPD4628 Phase 3
0.7123 Intermediate Similarity NPD7003 Approved
0.7099 Intermediate Similarity NPD6764 Approved
0.7099 Intermediate Similarity NPD6765 Approved
0.7092 Intermediate Similarity NPD2979 Phase 3
0.7083 Intermediate Similarity NPD2796 Approved
0.7075 Intermediate Similarity NPD2309 Approved
0.7068 Intermediate Similarity NPD5691 Approved
0.7067 Intermediate Similarity NPD920 Approved
0.7055 Intermediate Similarity NPD1243 Approved
0.705 Intermediate Similarity NPD6832 Phase 2
0.7047 Intermediate Similarity NPD642 Clinical (unspecified phase)
0.6988 Remote Similarity NPD8434 Phase 2
0.6985 Remote Similarity NPD1608 Approved
0.6972 Remote Similarity NPD4140 Approved
0.6966 Remote Similarity NPD6099 Approved
0.6966 Remote Similarity NPD6100 Approved
0.6957 Remote Similarity NPD3266 Approved
0.6957 Remote Similarity NPD3267 Approved
0.6957 Remote Similarity NPD2797 Approved
0.695 Remote Similarity NPD2313 Discontinued
0.6948 Remote Similarity NPD6279 Approved
0.6948 Remote Similarity NPD6280 Approved
0.6939 Remote Similarity NPD2800 Approved
0.6939 Remote Similarity NPD7421 Clinical (unspecified phase)
0.6934 Remote Similarity NPD4359 Approved
0.6928 Remote Similarity NPD6785 Approved
0.6928 Remote Similarity NPD6784 Approved
0.6923 Remote Similarity NPD6355 Discontinued
0.6899 Remote Similarity NPD2181 Clinical (unspecified phase)
0.6897 Remote Similarity NPD3748 Approved
0.6892 Remote Similarity NPD4110 Phase 3
0.6892 Remote Similarity NPD4109 Clinical (unspecified phase)
0.6889 Remote Similarity NPD1778 Approved
0.6863 Remote Similarity NPD7458 Discontinued
0.6863 Remote Similarity NPD5808 Clinical (unspecified phase)
0.6853 Remote Similarity NPD4307 Phase 2
0.6853 Remote Similarity NPD3140 Approved
0.6853 Remote Similarity NPD3142 Approved
0.6849 Remote Similarity NPD2531 Phase 2
0.6849 Remote Similarity NPD2438 Suspended
0.6849 Remote Similarity NPD4477 Approved
0.6849 Remote Similarity NPD4476 Approved
0.6846 Remote Similarity NPD1609 Clinical (unspecified phase)
0.6842 Remote Similarity NPD3873 Phase 3
0.6842 Remote Similarity NPD3869 Phase 3
0.6838 Remote Similarity NPD7457 Clinical (unspecified phase)
0.6835 Remote Similarity NPD1049 Clinical (unspecified phase)
0.6835 Remote Similarity NPD919 Approved
0.6831 Remote Similarity NPD3268 Approved
0.6831 Remote Similarity NPD1699 Clinical (unspecified phase)
0.6821 Remote Similarity NPD2533 Approved
0.6821 Remote Similarity NPD2534 Approved
0.6821 Remote Similarity NPD2532 Approved
0.6818 Remote Similarity NPD6599 Discontinued
0.6815 Remote Similarity NPD4947 Clinical (unspecified phase)
0.6815 Remote Similarity NPD3024 Approved
0.6815 Remote Similarity NPD3025 Approved
0.6806 Remote Similarity NPD1899 Clinical (unspecified phase)
0.6795 Remote Similarity NPD7819 Suspended
0.6792 Remote Similarity NPD5494 Approved
0.6779 Remote Similarity NPD6398 Clinical (unspecified phase)
0.6765 Remote Similarity NPD4626 Approved
0.6765 Remote Similarity NPD3019 Approved
0.6765 Remote Similarity NPD2932 Approved
0.6761 Remote Similarity NPD5952 Clinical (unspecified phase)
0.675 Remote Similarity NPD1247 Approved
0.6741 Remote Similarity NPD1894 Discontinued
0.6735 Remote Similarity NPD2935 Discontinued
0.6735 Remote Similarity NPD1551 Phase 2
0.6715 Remote Similarity NPD3026 Approved
0.6715 Remote Similarity NPD3023 Approved
0.6711 Remote Similarity NPD4378 Clinical (unspecified phase)
0.6711 Remote Similarity NPD7004 Clinical (unspecified phase)
0.671 Remote Similarity NPD7028 Phase 2
0.669 Remote Similarity NPD4618 Approved
0.669 Remote Similarity NPD4622 Approved
0.669 Remote Similarity NPD5735 Approved
0.6689 Remote Similarity NPD1552 Clinical (unspecified phase)
0.6689 Remote Similarity NPD1550 Clinical (unspecified phase)
0.6687 Remote Similarity NPD6559 Discontinued
0.6667 Remote Similarity NPD4870 Approved
0.6667 Remote Similarity NPD3750 Approved
0.6667 Remote Similarity NPD1611 Approved
0.6667 Remote Similarity NPD4308 Phase 3
0.6667 Remote Similarity NPD1019 Discontinued
0.6667 Remote Similarity NPD7644 Approved
0.6646 Remote Similarity NPD8443 Clinical (unspecified phase)
0.6646 Remote Similarity NPD8127 Discontinued
0.6646 Remote Similarity NPD7893 Clinical (unspecified phase)
0.6645 Remote Similarity NPD2649 Approved
0.6645 Remote Similarity NPD3226 Approved
0.6645 Remote Similarity NPD2651 Approved
0.6644 Remote Similarity NPD6651 Approved
0.6644 Remote Similarity NPD970 Clinical (unspecified phase)
0.6644 Remote Similarity NPD6353 Approved
0.6644 Remote Similarity NPD1549 Phase 2
0.6644 Remote Similarity NPD1607 Approved
0.6642 Remote Similarity NPD7157 Approved
0.6623 Remote Similarity NPD3887 Approved
0.6621 Remote Similarity NPD1240 Approved
0.6621 Remote Similarity NPD4060 Phase 1
0.662 Remote Similarity NPD9494 Approved
0.6619 Remote Similarity NPD9717 Approved
0.6605 Remote Similarity NPD6808 Phase 2
0.6599 Remote Similarity NPD5689 Approved
0.6599 Remote Similarity NPD5688 Approved
0.6597 Remote Similarity NPD6798 Discontinued
0.6596 Remote Similarity NPD1203 Approved
0.6594 Remote Similarity NPD3496 Discontinued
0.6589 Remote Similarity NPD3134 Approved
0.6584 Remote Similarity NPD710 Clinical (unspecified phase)
0.6582 Remote Similarity NPD2393 Clinical (unspecified phase)
0.6579 Remote Similarity NPD7236 Approved
0.6577 Remote Similarity NPD6002 Phase 3
0.6577 Remote Similarity NPD6004 Phase 3
0.6577 Remote Similarity NPD6003 Clinical (unspecified phase)
0.6577 Remote Similarity NPD6006 Clinical (unspecified phase)
0.6577 Remote Similarity NPD6005 Phase 3
0.6569 Remote Similarity NPD4196 Clinical (unspecified phase)
0.6569 Remote Similarity NPD3444 Approved
0.6569 Remote Similarity NPD3443 Approved
0.6569 Remote Similarity NPD3445 Approved
0.6564 Remote Similarity NPD3926 Phase 2
0.6556 Remote Similarity NPD8166 Discontinued
0.6554 Remote Similarity NPD1510 Phase 2
0.6552 Remote Similarity NPD6663 Approved
0.6549 Remote Similarity NPD4624 Approved
0.6547 Remote Similarity NPD6287 Discontinued
0.6547 Remote Similarity NPD1201 Approved
0.6544 Remote Similarity NPD5536 Phase 2
0.6543 Remote Similarity NPD6959 Discontinued
0.6541 Remote Similarity NPD5535 Approved
0.6541 Remote Similarity NPD2296 Approved
0.6536 Remote Similarity NPD6799 Approved
0.6533 Remote Similarity NPD2897 Discontinued
0.6533 Remote Similarity NPD4534 Discontinued
0.6528 Remote Similarity NPD7095 Approved
0.6525 Remote Similarity NPD6696 Suspended
0.6513 Remote Similarity NPD3295 Clinical (unspecified phase)
0.6508 Remote Similarity NPD1238 Approved
0.6503 Remote Similarity NPD5736 Approved
0.65 Remote Similarity NPD3882 Suspended
0.6494 Remote Similarity NPD4662 Approved
0.6494 Remote Similarity NPD4661 Approved
0.6494 Remote Similarity NPD7410 Clinical (unspecified phase)
0.6493 Remote Similarity NPD5283 Phase 1
0.6493 Remote Similarity NPD1398 Phase 1
0.6489 Remote Similarity NPD2182 Approved
0.6489 Remote Similarity NPD2684 Approved
0.6483 Remote Similarity NPD6812 Clinical (unspecified phase)
0.6483 Remote Similarity NPD6859 Clinical (unspecified phase)
0.6483 Remote Similarity NPD7985 Registered
0.6483 Remote Similarity NPD3764 Approved
0.6483 Remote Similarity NPD6410 Clinical (unspecified phase)
0.6483 Remote Similarity NPD411 Approved
0.6478 Remote Similarity NPD7096 Clinical (unspecified phase)
0.6471 Remote Similarity NPD7340 Approved
0.6467 Remote Similarity NPD2355 Clinical (unspecified phase)
0.6467 Remote Similarity NPD5763 Approved
0.6467 Remote Similarity NPD5762 Approved
0.6467 Remote Similarity NPD2353 Approved
0.6463 Remote Similarity NPD1933 Approved
0.646 Remote Similarity NPD3749 Approved
0.6458 Remote Similarity NPD2614 Approved
0.6456 Remote Similarity NPD6873 Phase 2
0.6456 Remote Similarity NPD7411 Suspended
0.6452 Remote Similarity NPD5049 Phase 3
0.6434 Remote Similarity NPD6917 Clinical (unspecified phase)
0.6424 Remote Similarity NPD4575 Clinical (unspecified phase)
0.6424 Remote Similarity NPD2424 Discontinued
0.6424 Remote Similarity NPD5958 Discontinued
0.6415 Remote Similarity NPD1934 Approved
0.6415 Remote Similarity NPD7577 Discontinued
0.6414 Remote Similarity NPD7008 Discontinued
0.6412 Remote Similarity NPD1358 Approved

Structure

External Identifiers

PubChem CID   3080635
ChEMBL   CHEMBL486189
ZINC  

Physicochemical Properties

Molecular Weight:  216.15
ALogP:  1.6203
MLogP:  3
XLogP:  4.333
# Rotatable Bonds:  2
Polar Surface Area:  13.14
# H-Bond Aceptor:  0
# H-Bond Donor:  0
# Rings:  3
# Heavy Atoms:  16

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Biological Activities  
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