Natural Product: NPC119271

Natural Product ID:  NPC119271
Common Name:   Diethyl Phthalate
IUPAC Name:   diethyl benzene-1,2-dicarboxylate
Synonyms:   Diethyl Phthalate
Molecular Formula:   C12H14O4
Standard InCHIKey:  FLKPEMZONWLCSK-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C12H14O4/c1-3-15-11(13)9-7-5-6-8-10(9)12(14)16-4-2/h5-8H,3-4H2,1-2H3
Canonical SMILES:  CCOC(=O)c1ccccc1C(=O)OCC
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
NPO11230 Herba glechomae longitubae NA NA NA TCMID*
NPO522 Oenanthe javanica Species Apiaceae Eukaryota TCMID*
NPO6640 Oleum ocimi gratissimi NA NA NA TCMID*
NPO28256 Platycladus orientalis Species Cupressaceae Eukaryota TCMID*
NPO15095 Hippophae rhamnoides Species Elaeagnaceae Eukaryota TCMID*
NPO21343 Eupatorium fortunei Species Asteraceae Eukaryota TCMID*
NPO7510 Ixora chinensis Species Rubiaceae Eukaryota TCMID*
NPO21343 Eupatorium fortunei Species Asteraceae Eukaryota HerDing*
NPO22234 Ficus carica Species Moraceae Eukaryota TCMID*
NPO522 Oenanthe javanica Species Apiaceae Eukaryota TCM_Taiwan*
NPO26327 Chaenomeles sinensis Species Rosaceae Eukaryota TCMID*
NPO12028 Acori tataninowii rhizoma NA NA NA TCMSP*
NPO12208 Allii fistulost bulbus NA NA NA TCMSP*
NPO21137 Combretum indicum Species Combretaceae Eukaryota TCMID*
NPO6709 Aconiti radix NA NA NA TCMSP*
NPO7611 Sclerotium poriae cocos Species Typhulaceae Eukaryota TCMID*
NPO29643 Mume fructus NA NA NA TCMSP*
NPO25443 Citrus reticulata Species Rutaceae Eukaryota TCMSP*
NPO29668 Oroxyli semen NA NA NA TCMSP*
NPO24892 Cortex moutan NA NA NA TCMSP*
NPO17237 Ephedra herba Species Ephedraceae Eukaryota TCMSP*
NPO28985 Radix bupleuri Species Lymnaeidae Eukaryota TCMSP*
NPO29577 Arecae semen NA NA NA TCMSP*
NPO32053 Streptomyces 1010 Species Streptomycetaceae Bacteria StreptomeDB*
NPO28276 Artemisia argyi Species Asteraceae Eukaryota TM-MC*
NPO11100 Artemisia capillaris Species Asteraceae Eukaryota TM-MC*
NPO10492 Artemisia montana Species Asteraceae Eukaryota TM-MC*
NPO25094 Artemisia princeps Species Asteraceae Eukaryota TM-MC*
NPO7317 Citrus aurantium Species Rutaceae Eukaryota TM-MC*
NPO5270 Citrus natsudaidai Species Rutaceae Eukaryota TM-MC*
NPO19787 Citrus sinensis Species Rutaceae Eukaryota TM-MC*
NPO21771 Citrus trifoliata Species Rutaceae Eukaryota TM-MC*
NPO9822 Typha angustifolia Species Typhaceae Eukaryota TM-MC*
NPO28251 Typha orientalis Species Typhaceae Eukaryota TM-MC*
NPO20553 Zingiber officinale Species Zingiberaceae Eukaryota TM-MC*
NPO26969 Sagittaria sagittifolia Species Alismataceae Eukaryota TCMID*
NPO420 Eucheuma muricatum Species Solieriaceae Eukaryota TCMID*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT1234 Organism Chlorella fusca Chlorella fusca IZ = 13 mm 10924166
NPT1234 Organism Chlorella fusca Chlorella fusca IZ = 13 mm 10395524
NPT1230 Organism Bacillus megaterium Bacillus megaterium IZ = 10 mm 10395524
NPT210 Individual Protein Thyroid stimulating hormone receptor Homo sapiens Potency = 39810.7 nM PubChem BioAssay data set
NPT347 Cell Line Lymphoblastoid cells Homo sapiens Potency = 501.2 nM PubChem BioAssay data set
NPT249 Individual Protein Glucocorticoid receptor Homo sapiens Potency 8.9 nM PubChem BioAssay data set
NPT135 Individual Protein Chromobox protein homolog 1 Homo sapiens Potency 79432.8 nM PubChem BioAssay data set
NPT153 Individual Protein Androgen Receptor Homo sapiens Potency 14125.4 nM PubChem BioAssay data set
NPT154 Individual Protein Mothers against decapentaplegic homolog 3 Homo sapiens Potency 35481.3 nM PubChem BioAssay data set
NPT152 Individual Protein Nuclear factor erythroid 2-related factor 2 Homo sapiens Potency 24.3 nM PubChem BioAssay data set
NPT10 Individual Protein Geminin Homo sapiens Potency 651.3 nM PubChem BioAssay data set
NPT755 Individual Protein Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 Homo sapiens Potency 28183.8 nM PubChem BioAssay data set
NPT160 Individual Protein TAR DNA-binding protein 43 Homo sapiens Potency 398.1 nM PubChem BioAssay data set
NPT861 Individual Protein Isocitrate dehydrogenase [NADP] cytoplasmic Homo sapiens Potency 1835.6 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 49398.4 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 68589.6 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 44026.4 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 76958.8 nM PubChem BioAssay data set
NPT153 Individual Protein Androgen Receptor Homo sapiens Potency 43641.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 74978 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 62709.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 34665.4 nM PubChem BioAssay data set
NPT2 Others Unspecified IC50 20000 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 27778.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 62188.9 nM PubChem BioAssay data set
NPT2 Others Unspecified IC50 10000 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 6007 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 61644.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 35264.3 nM 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 NPC119271 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
0.9899 High Similarity NPC56493
0.98 High Similarity NPC17417
0.98 High Similarity NPC10251
0.9796 High Similarity NPC31786
0.9703 High Similarity NPC174099
0.9703 High Similarity NPC214067
0.9703 High Similarity NPC251854
0.9703 High Similarity NPC93084
0.9703 High Similarity NPC196246
0.9608 High Similarity NPC260818
0.9608 High Similarity NPC1082
0.9608 High Similarity NPC305912
0.9515 High Similarity NPC321852
0.9515 High Similarity NPC82899
0.9515 High Similarity NPC270699
0.9412 High Similarity NPC85493
0.9333 High Similarity NPC153053
0.93 High Similarity NPC89886
0.9223 High Similarity NPC83628
0.9223 High Similarity NPC265407
0.92 High Similarity NPC45613
0.9184 High Similarity NPC276775
0.9184 High Similarity NPC92754
0.9184 High Similarity NPC249912
0.9151 High Similarity NPC307651
0.9091 High Similarity NPC78701
0.9091 High Similarity NPC35448
0.9091 High Similarity NPC225060
0.9029 High Similarity NPC30594
0.9029 High Similarity NPC37622
0.9 High Similarity NPC146351
0.898 High Similarity NPC130398
0.8932 High Similarity NPC209632
0.8922 High Similarity NPC474365
0.8922 High Similarity NPC301943
0.8922 High Similarity NPC60679
0.8911 High Similarity NPC70624
0.8911 High Similarity NPC42211
0.8868 High Similarity NPC210089
0.8868 High Similarity NPC474157
0.8835 High Similarity NPC114594
0.8812 High Similarity NPC203925
0.8812 High Similarity NPC118343
0.8807 High Similarity NPC149691
0.8725 High Similarity NPC282895
0.8716 High Similarity NPC210092
0.8704 High Similarity NPC272524
0.8692 High Similarity NPC167504
0.8679 High Similarity NPC99846
0.8679 High Similarity NPC469636
0.8679 High Similarity NPC269023
0.8641 High Similarity NPC188895
0.8627 High Similarity NPC325497
0.8624 High Similarity NPC237366
0.8624 High Similarity NPC308744
0.8611 High Similarity NPC79496
0.8571 High Similarity NPC269457
0.8545 High Similarity NPC474685
0.8529 High Similarity NPC229242
0.8505 High Similarity NPC474364
0.8469 Intermediate Similarity NPC173443
0.8378 Intermediate Similarity NPC306740
0.8364 Intermediate Similarity NPC128368
0.8364 Intermediate Similarity NPC161611
0.8304 Intermediate Similarity NPC100353
0.8288 Intermediate Similarity NPC196075
0.8288 Intermediate Similarity NPC477411
0.8288 Intermediate Similarity NPC474363
0.8286 Intermediate Similarity NPC284477
0.8265 Intermediate Similarity NPC89377
0.8241 Intermediate Similarity NPC470391
0.822 Intermediate Similarity NPC246166
0.8198 Intermediate Similarity NPC474176
0.8182 Intermediate Similarity NPC476003
0.8182 Intermediate Similarity NPC243355
0.8163 Intermediate Similarity NPC318107
0.8142 Intermediate Similarity NPC226093
0.8137 Intermediate Similarity NPC261181
0.8108 Intermediate Similarity NPC158282
0.8108 Intermediate Similarity NPC212415
0.8108 Intermediate Similarity NPC474314
0.8103 Intermediate Similarity NPC473243
0.81 Intermediate Similarity NPC220893
0.8077 Intermediate Similarity NPC270654
0.8067 Intermediate Similarity NPC295664
0.8061 Intermediate Similarity NPC58616
0.8061 Intermediate Similarity NPC294134
0.8051 Intermediate Similarity NPC223351
0.8037 Intermediate Similarity NPC255676
0.8036 Intermediate Similarity NPC13784
0.8034 Intermediate Similarity NPC50872
0.8019 Intermediate Similarity NPC473325
0.8017 Intermediate Similarity NPC204784
0.8 Intermediate Similarity NPC304760
0.7982 Intermediate Similarity NPC135730
0.7944 Intermediate Similarity NPC304873
0.7941 Intermediate Similarity NPC119631
0.7934 Intermediate Similarity NPC169913
0.7925 Intermediate Similarity NPC217621
0.7905 Intermediate Similarity NPC253423
0.7899 Intermediate Similarity NPC46634
0.7895 Intermediate Similarity NPC228936
0.7895 Intermediate Similarity NPC474095
0.7895 Intermediate Similarity NPC81808
0.7857 Intermediate Similarity NPC288903
0.7851 Intermediate Similarity NPC121272
0.7851 Intermediate Similarity NPC275576
0.7851 Intermediate Similarity NPC476599
0.7845 Intermediate Similarity NPC469574
0.7845 Intermediate Similarity NPC228318
0.7843 Intermediate Similarity NPC62765
0.7833 Intermediate Similarity NPC228739
0.781 Intermediate Similarity NPC61944
0.7798 Intermediate Similarity NPC85977
0.7787 Intermediate Similarity NPC51292
0.7778 Intermediate Similarity NPC25458
0.775 Intermediate Similarity NPC472703
0.7748 Intermediate Similarity NPC211439
0.7739 Intermediate Similarity NPC470764
0.7739 Intermediate Similarity NPC474408
0.7731 Intermediate Similarity NPC144547
0.7727 Intermediate Similarity NPC105899
0.7724 Intermediate Similarity NPC115797
0.7724 Intermediate Similarity NPC51448
0.7706 Intermediate Similarity NPC234305
0.7699 Intermediate Similarity NPC291799
0.7692 Intermediate Similarity NPC240664
0.7692 Intermediate Similarity NPC217423
0.7692 Intermediate Similarity NPC45104
0.7686 Intermediate Similarity NPC471466
0.7686 Intermediate Similarity NPC472704
0.7685 Intermediate Similarity NPC112552
0.7679 Intermediate Similarity NPC318327
0.767 Intermediate Similarity NPC240108
0.767 Intermediate Similarity NPC213156
0.7647 Intermediate Similarity NPC988
0.7647 Intermediate Similarity NPC289432
0.7632 Intermediate Similarity NPC66208
0.7627 Intermediate Similarity NPC94298
0.7627 Intermediate Similarity NPC27633
0.7627 Intermediate Similarity NPC94637
0.7619 Intermediate Similarity NPC472394
0.76 Intermediate Similarity NPC42234
0.76 Intermediate Similarity NPC272946
0.76 Intermediate Similarity NPC147561
0.7593 Intermediate Similarity NPC228435
0.7593 Intermediate Similarity NPC98911
0.7593 Intermediate Similarity NPC472318
0.7589 Intermediate Similarity NPC249811
0.7578 Intermediate Similarity NPC311339
0.7576 Intermediate Similarity NPC323103
0.7573 Intermediate Similarity NPC9822
0.7563 Intermediate Similarity NPC90522
0.7563 Intermediate Similarity NPC328459
0.7561 Intermediate Similarity NPC470765
0.7551 Intermediate Similarity NPC121800
0.7545 Intermediate Similarity NPC160382
0.7541 Intermediate Similarity NPC51079
0.754 Intermediate Similarity NPC470278
0.7524 Intermediate Similarity NPC77273
0.7522 Intermediate Similarity NPC281604
0.7521 Intermediate Similarity NPC188907
0.7521 Intermediate Similarity NPC220540
0.75 Intermediate Similarity NPC473220
0.75 Intermediate Similarity NPC230951
0.75 Intermediate Similarity NPC1065
0.75 Intermediate Similarity NPC72977
0.75 Intermediate Similarity NPC329913
0.75 Intermediate Similarity NPC475236
0.75 Intermediate Similarity NPC185501
0.75 Intermediate Similarity NPC39600
0.75 Intermediate Similarity NPC475203
0.75 Intermediate Similarity NPC470753
0.75 Intermediate Similarity NPC472316
0.75 Intermediate Similarity NPC238861
0.75 Intermediate Similarity NPC472315
0.75 Intermediate Similarity NPC270507
0.75 Intermediate Similarity NPC77000
0.75 Intermediate Similarity NPC474376
0.75 Intermediate Similarity NPC472706
0.748 Intermediate Similarity NPC125053
0.748 Intermediate Similarity NPC238370
0.748 Intermediate Similarity NPC477360
0.748 Intermediate Similarity NPC7012
0.7479 Intermediate Similarity NPC293424
0.7479 Intermediate Similarity NPC254233
0.7478 Intermediate Similarity NPC23332
0.7478 Intermediate Similarity NPC54626
0.7477 Intermediate Similarity NPC269644
0.7477 Intermediate Similarity NPC329282
0.746 Intermediate Similarity NPC473247
0.746 Intermediate Similarity NPC475508
0.746 Intermediate Similarity NPC27712
0.7459 Intermediate Similarity NPC474283
0.7459 Intermediate Similarity NPC475692
0.7459 Intermediate Similarity NPC217756
0.7458 Intermediate Similarity NPC470860
0.7458 Intermediate Similarity NPC131192
0.7458 Intermediate Similarity NPC128825
0.7458 Intermediate Similarity NPC190298

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC119271 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
0.98 High Similarity NPD2182 Approved
0.9796 High Similarity NPD164 Approved
0.9048 High Similarity NPD2181 Clinical (unspecified phase)
0.8812 High Similarity NPD1238 Approved
0.8163 Intermediate Similarity NPD9257 Approved
0.8163 Intermediate Similarity NPD9259 Approved
0.8137 Intermediate Similarity NPD1202 Approved
0.8108 Intermediate Similarity NPD1609 Clinical (unspecified phase)
0.7966 Intermediate Similarity NPD518 Clinical (unspecified phase)
0.7843 Intermediate Similarity NPD9258 Approved
0.7843 Intermediate Similarity NPD9256 Approved
0.7768 Intermediate Similarity NPD2067 Discontinued
0.7739 Intermediate Similarity NPD690 Clinical (unspecified phase)
0.7679 Intermediate Similarity NPD6831 Clinical (unspecified phase)
0.7627 Intermediate Similarity NPD9545 Approved
0.76 Intermediate Similarity NPD5952 Clinical (unspecified phase)
0.7547 Intermediate Similarity NPD9260 Approved
0.7521 Intermediate Similarity NPD6287 Discontinued
0.75 Intermediate Similarity NPD3412 Clinical (unspecified phase)
0.7477 Intermediate Similarity NPD1989 Approved
0.7458 Intermediate Similarity NPD9493 Approved
0.7449 Intermediate Similarity NPD9490 Approved
0.7436 Intermediate Similarity NPD5951 Approved
0.7379 Intermediate Similarity NPD1087 Approved
0.736 Intermediate Similarity NPD1019 Discontinued
0.735 Intermediate Similarity NPD1241 Discontinued
0.7339 Intermediate Similarity NPD9495 Approved
0.7333 Intermediate Similarity NPD3673 Approved
0.7333 Intermediate Similarity NPD3672 Approved
0.7327 Intermediate Similarity NPD9491 Approved
0.7323 Intermediate Similarity NPD7008 Discontinued
0.7321 Intermediate Similarity NPD1237 Approved
0.7266 Intermediate Similarity NPD3764 Approved
0.7244 Intermediate Similarity NPD6832 Phase 2
0.7232 Intermediate Similarity NPD6647 Phase 2
0.7232 Intermediate Similarity NPD1931 Clinical (unspecified phase)
0.7232 Intermediate Similarity NPD1930 Approved
0.7232 Intermediate Similarity NPD1929 Approved
0.7212 Intermediate Similarity NPD650 Approved
0.72 Intermediate Similarity NPD2199 Approved
0.72 Intermediate Similarity NPD1876 Approved
0.72 Intermediate Similarity NPD2198 Approved
0.7177 Intermediate Similarity NPD9717 Approved
0.7172 Intermediate Similarity NPD225 Approved
0.7172 Intermediate Similarity NPD227 Approved
0.717 Intermediate Similarity NPD1090 Approved
0.717 Intermediate Similarity NPD1089 Approved
0.717 Intermediate Similarity NPD1086 Approved
0.7168 Intermediate Similarity NPD5909 Discontinued
0.7143 Intermediate Similarity NPD9567 Approved
0.7143 Intermediate Similarity NPD552 Approved
0.7143 Intermediate Similarity NPD553 Approved
0.7143 Intermediate Similarity NPD1932 Approved
0.713 Intermediate Similarity NPD1358 Approved
0.7117 Intermediate Similarity NPD2066 Phase 3
0.7107 Intermediate Similarity NPD2347 Approved
0.709 Intermediate Similarity NPD2346 Discontinued
0.709 Intermediate Similarity NPD2343 Clinical (unspecified phase)
0.7087 Intermediate Similarity NPD6007 Clinical (unspecified phase)
0.708 Intermediate Similarity NPD9261 Approved
0.7075 Intermediate Similarity NPD800 Approved
0.7073 Intermediate Similarity NPD7163 Clinical (unspecified phase)
0.7064 Intermediate Similarity NPD688 Clinical (unspecified phase)
0.7048 Intermediate Similarity NPD1282 Approved
0.7043 Intermediate Similarity NPD3134 Approved
0.7037 Intermediate Similarity NPD1088 Approved
0.7 Intermediate Similarity NPD2313 Discontinued
0.6984 Remote Similarity NPD182 Clinical (unspecified phase)
0.6975 Remote Similarity NPD5277 Phase 2
0.6972 Remote Similarity NPD5122 Clinical (unspecified phase)
0.6972 Remote Similarity NPD1563 Approved
0.697 Remote Similarity NPD230 Phase 1
0.697 Remote Similarity NPD1899 Clinical (unspecified phase)
0.6961 Remote Similarity NPD226 Approved
0.696 Remote Similarity NPD1281 Approved
0.696 Remote Similarity NPD1547 Clinical (unspecified phase)
0.6944 Remote Similarity NPD1239 Approved
0.6944 Remote Similarity NPD7609 Phase 3
0.6923 Remote Similarity NPD2329 Discontinued
0.6909 Remote Similarity NPD1693 Approved
0.6905 Remote Similarity NPD6637 Approved
0.6905 Remote Similarity NPD3972 Approved
0.6894 Remote Similarity NPD2979 Phase 3
0.6894 Remote Similarity NPD3373 Approved
0.6891 Remote Similarity NPD9508 Approved
0.6891 Remote Similarity NPD969 Suspended
0.6885 Remote Similarity NPD405 Clinical (unspecified phase)
0.6881 Remote Similarity NPD7631 Approved
0.6875 Remote Similarity NPD1203 Approved
0.6875 Remote Similarity NPD5926 Approved
0.6866 Remote Similarity NPD2569 Approved
0.6866 Remote Similarity NPD2567 Approved
0.6864 Remote Similarity NPD1317 Discontinued
0.686 Remote Similarity NPD2629 Approved
0.6855 Remote Similarity NPD5691 Approved
0.6842 Remote Similarity NPD447 Suspended
0.6838 Remote Similarity NPD9264 Approved
0.6838 Remote Similarity NPD9263 Approved
0.6838 Remote Similarity NPD9267 Approved
0.6838 Remote Similarity NPD7702 Clinical (unspecified phase)
0.6838 Remote Similarity NPD9265 Clinical (unspecified phase)
0.6835 Remote Similarity NPD7236 Approved
0.6815 Remote Similarity NPD2799 Discontinued
0.6815 Remote Similarity NPD3748 Approved
0.6807 Remote Similarity NPD4141 Clinical (unspecified phase)
0.6803 Remote Similarity NPD4198 Discontinued
0.68 Remote Similarity NPD17 Approved
0.6797 Remote Similarity NPD5667 Approved
0.6797 Remote Similarity NPD1283 Approved
0.6786 Remote Similarity NPD1565 Approved
0.6786 Remote Similarity NPD1566 Phase 3
0.6786 Remote Similarity NPD1564 Approved
0.678 Remote Similarity NPD9266 Approved
0.678 Remote Similarity NPD74 Approved
0.6774 Remote Similarity NPD1894 Discontinued
0.6767 Remote Similarity NPD4307 Phase 2
0.6746 Remote Similarity NPD7457 Clinical (unspecified phase)
0.6744 Remote Similarity NPD3266 Approved
0.6744 Remote Similarity NPD3267 Approved
0.6727 Remote Similarity NPD1508 Approved
0.6723 Remote Similarity NPD5237 Approved
0.6723 Remote Similarity NPD5239 Approved
0.6723 Remote Similarity NPD1756 Approved
0.6723 Remote Similarity NPD5235 Approved
0.6723 Remote Similarity NPD4233 Approved
0.6723 Remote Similarity NPD5236 Approved
0.6723 Remote Similarity NPD1752 Approved
0.6723 Remote Similarity NPD4234 Approved
0.6723 Remote Similarity NPD5240 Approved
0.672 Remote Similarity NPD5585 Approved
0.6716 Remote Similarity NPD1933 Approved
0.6715 Remote Similarity NPD1471 Phase 3
0.6692 Remote Similarity NPD7713 Phase 3
0.6692 Remote Similarity NPD2798 Approved
0.6692 Remote Similarity NPD6085 Phase 2
0.6692 Remote Similarity NPD5740 Clinical (unspecified phase)
0.6691 Remote Similarity NPD1878 Clinical (unspecified phase)
0.6691 Remote Similarity NPD4628 Phase 3
0.6667 Remote Similarity NPD5305 Approved
0.6667 Remote Similarity NPD3528 Clinical (unspecified phase)
0.6667 Remote Similarity NPD3971 Phase 1
0.6667 Remote Similarity NPD1104 Approved
0.6667 Remote Similarity NPD6591 Clinical (unspecified phase)
0.6667 Remote Similarity NPD6039 Approved
0.6667 Remote Similarity NPD3226 Approved
0.6667 Remote Similarity NPD2201 Approved
0.6667 Remote Similarity NPD9697 Approved
0.6667 Remote Similarity NPD5306 Approved
0.6667 Remote Similarity NPD970 Clinical (unspecified phase)
0.6667 Remote Similarity NPD7798 Approved
0.6642 Remote Similarity NPD2935 Discontinued
0.6641 Remote Similarity NPD1608 Approved
0.6641 Remote Similarity NPD1481 Phase 2
0.6638 Remote Similarity NPD5738 Clinical (unspecified phase)
0.6635 Remote Similarity NPD942 Approved
0.6619 Remote Similarity NPD7421 Clinical (unspecified phase)
0.6618 Remote Similarity NPD2670 Approved
0.6617 Remote Similarity NPD411 Approved
0.6615 Remote Similarity NPD2797 Approved
0.6615 Remote Similarity NPD1470 Approved
0.6614 Remote Similarity NPD4136 Approved
0.6614 Remote Similarity NPD4135 Approved
0.6614 Remote Similarity NPD4106 Approved
0.6614 Remote Similarity NPD3496 Discontinued
0.6613 Remote Similarity NPD694 Clinical (unspecified phase)
0.6606 Remote Similarity NPD5346 Phase 2
0.6606 Remote Similarity NPD5347 Phase 2
0.6606 Remote Similarity NPD689 Discontinued
0.6597 Remote Similarity NPD7239 Suspended
0.6593 Remote Similarity NPD4618 Approved
0.6593 Remote Similarity NPD4622 Approved
0.6587 Remote Similarity NPD1651 Approved
0.6585 Remote Similarity NPD4766 Approved
0.6585 Remote Similarity NPD9281 Approved
0.6583 Remote Similarity NPD3646 Clinical (unspecified phase)
0.6581 Remote Similarity NPD3047 Approved
0.6581 Remote Similarity NPD3048 Approved
0.6581 Remote Similarity NPD3046 Approved
0.6574 Remote Similarity NPD4793 Discontinued
0.6573 Remote Similarity NPD6273 Approved
0.6571 Remote Similarity NPD7003 Approved
0.6571 Remote Similarity NPD3750 Approved
0.6569 Remote Similarity NPD1110 Approved
0.6569 Remote Similarity NPD3170 Approved
0.6569 Remote Similarity NPD4308 Phase 3
0.6569 Remote Similarity NPD1109 Approved
0.6567 Remote Similarity NPD7961 Discontinued
0.6562 Remote Similarity NPD4806 Approved
0.6562 Remote Similarity NPD4807 Approved
0.6562 Remote Similarity NPD1535 Discovery
0.6557 Remote Similarity NPD6858 Approved
0.6557 Remote Similarity NPD2607 Approved
0.6557 Remote Similarity NPD7094 Approved
0.6549 Remote Similarity NPD1843 Approved
0.6544 Remote Similarity NPD1654 Clinical (unspecified phase)
0.6535 Remote Similarity NPD9716 Approved
0.6535 Remote Similarity NPD1362 Clinical (unspecified phase)
0.6535 Remote Similarity NPD4626 Approved
0.6525 Remote Similarity NPD3887 Approved
0.6522 Remote Similarity NPD2438 Suspended

Structure

External Identifiers

PubChem CID   6781
ChEMBL   CHEMBL388558
ZINC  

Physicochemical Properties

Molecular Weight:  222.09
ALogP:  0.5232
MLogP:  2.34
XLogP:  3.18
# Rotatable Bonds:  8
Polar Surface Area:  52.6
# H-Bond Aceptor:  4
# H-Bond Donor:  0
# Rings:  1
# Heavy Atoms:  16

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
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