Natural Product: NPC476460

Natural Product ID:  NPC476460
Common Name:   Sid49676895
IUPAC Name:   2-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]-2-oxoacetamide
Synonyms:  
Molecular Formula:   C20H17N3O2
Standard InCHIKey:  KBMAPSVVTDUGNY-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C20H17N3O2/c24-19(16-12-23-18-8-4-2-6-15(16)18)20(25)21-10-9-13-11-22-17-7-3-1-5-14(13)17/h1-8,11-12,22-23H,9-10H2,(H,21,25)
Canonical SMILES:  O=C(C(=O)c1c[nH]c2c1cccc2)NCCc1c[nH]c2c1cccc2
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
NPO33091 marine sp. Species NA NA PMID[17548194]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT79 Organism Bacillus subtilis Bacillus subtilis MIC = 50 ug/ml PubChem BioAssay data set
NPT173 Organism Klebsiella pneumoniae Klebsiella pneumoniae IZ = 14 mm 8411013
NPT173 Organism Klebsiella pneumoniae Klebsiella pneumoniae MIC = 100 ug/ml 8411013
NPT2 Others Unspecified AC50 = 1482 nM DrugMatrix in vitro pharmacology data
NPT478 Individual Protein Ataxin-2 Homo sapiens Potency 4466.8 nM Open TG-GATES in vivo data: Biochemistry
NPT2 Others Unspecified IC50 = 97720 nM 24900793
NPT633 Organism Leishmania donovani Leishmania donovani Inhibition = 97.72 % 19548690
NPT2 Others Unspecified AC50 = 6750 nM 11473413
NPT16 Organism Staphylococcus aureus Staphylococcus aureus IZ = 15 mm 16933872
NPT19 Organism Escherichia coli Escherichia coli MIC = 50 ug/ml 19969457
NPT19 Organism Escherichia coli Escherichia coli IZ = 15 mm 19969457
NPT2 Others Unspecified IC50 = 63950 nM 19743809
NPT1325 Protein Complex GABA-A receptor; anion channel Bos taurus Ki = 1500 nM 18847246
NPT1325 Protein Complex GABA-A receptor; anion channel Bos taurus Ratio = 1 11412982
NPT1325 Protein Complex GABA-A receptor; anion channel Bos taurus Inhibition = 83 % 11412982
NPT477 Individual Protein DNA dC->dU-editing enzyme APOBEC-3G Homo sapiens Potency 19952.6 nM 18053715
NPT63 Individual Protein Bromodomain adjacent to zinc finger domain protein 2B Homo sapiens Potency 44668.4 nM DrugMatrix in vitro pharmacology data
NPT531 Individual Protein Nuclear receptor ROR-gamma Mus musculus Potency = 14125.4 nM 22750009
NPT101 Individual Protein Glucagon-like peptide 1 receptor Homo sapiens Potency 4466.8 nM 8277321
NPT79 Organism Bacillus subtilis Bacillus subtilis IZ = 15 mm 24507923
NPT154 Individual Protein Mothers against decapentaplegic homolog 3 Homo sapiens Potency 31622.8 nM 10.6019/CHEMBL1201861
NPT2 Others Unspecified Potency 29092.9 nM 25951057
NPT82 Cell Line MDA-MB-231 Homo sapiens IC50 = 48700 nM 20071056
NPT65 Cell Line HepG2 Homo sapiens Potency 15848.9 nM 23398362
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC = 50 ug/ml 22283451
NPT633 Organism Leishmania donovani Leishmania donovani Inhibition = 100 % 26200396
NPT2911 Organism Pseudomonas putida Pseudomonas putida IZ = 14 mm 23145884
NPT165 Cell Line HeLa Homo sapiens IC50 = 48850 nM 21070010
NPT6 Organism Plasmodium falciparum Plasmodium falciparum Potency 18526 nM 18725441
NPT2 Others Unspecified Potency 14581 nM PubChem BioAssay data set
NPT5 Individual Protein Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 Homo sapiens Potency 44668.4 nM 31473
NPT2911 Organism Pseudomonas putida Pseudomonas putida MIC = 50 ug/ml 21534539
NPT2 Others Unspecified Potency 6309.6 nM 19654408
NPT135 Individual Protein Chromobox protein homolog 1 Homo sapiens Potency 79432.8 nM 22037378
NPT2 Others Unspecified IC50 = 38450 nM 16472241
NPT2 Others Unspecified IC50 = 71510 nM 19995673

  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 NPC476460 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
0.9415 High Similarity NPC477003
0.9349 High Similarity NPC284775
0.9318 High Similarity NPC304203
0.9282 High Similarity NPC317701
0.8994 High Similarity NPC326422
0.8827 High Similarity NPC324091
0.8814 High Similarity NPC99939
0.8814 High Similarity NPC308931
0.875 High Similarity NPC477004
0.8613 High Similarity NPC471943
0.8603 High Similarity NPC133003
0.8539 High Similarity NPC191415
0.8441 Intermediate Similarity NPC227582
0.8439 Intermediate Similarity NPC42372
0.8389 Intermediate Similarity NPC470205
0.8361 Intermediate Similarity NPC473666
0.8351 Intermediate Similarity NPC74413
0.8342 Intermediate Similarity NPC167710
0.8315 Intermediate Similarity NPC151635
0.8307 Intermediate Similarity NPC252338
0.8298 Intermediate Similarity NPC131887
0.8289 Intermediate Similarity NPC79356
0.8289 Intermediate Similarity NPC102592
0.8287 Intermediate Similarity NPC117027
0.8287 Intermediate Similarity NPC102755
0.8258 Intermediate Similarity NPC293216
0.8229 Intermediate Similarity NPC115232
0.822 Intermediate Similarity NPC260900
0.8214 Intermediate Similarity NPC473218
0.8214 Intermediate Similarity NPC470702
0.8207 Intermediate Similarity NPC17059
0.8182 Intermediate Similarity NPC114637
0.8173 Intermediate Similarity NPC470703
0.8162 Intermediate Similarity NPC321708
0.8158 Intermediate Similarity NPC268744
0.8158 Intermediate Similarity NPC475914
0.8158 Intermediate Similarity NPC153123
0.8158 Intermediate Similarity NPC201266
0.8158 Intermediate Similarity NPC220797
0.8158 Intermediate Similarity NPC474318
0.8156 Intermediate Similarity NPC469529
0.8125 Intermediate Similarity NPC233380
0.8122 Intermediate Similarity NPC11126
0.8115 Intermediate Similarity NPC77241
0.8115 Intermediate Similarity NPC269203
0.8115 Intermediate Similarity NPC13456
0.8115 Intermediate Similarity NPC166209
0.8107 Intermediate Similarity NPC288838
0.8105 Intermediate Similarity NPC67288
0.8103 Intermediate Similarity NPC92796
0.8103 Intermediate Similarity NPC116555
0.8103 Intermediate Similarity NPC135141
0.8101 Intermediate Similarity NPC161861
0.8079 Intermediate Similarity NPC229893
0.807 Intermediate Similarity NPC53947
0.805 Intermediate Similarity NPC267811
0.8043 Intermediate Similarity NPC228835
0.8033 Intermediate Similarity NPC470677
0.8032 Intermediate Similarity NPC47190
0.8021 Intermediate Similarity NPC154339
0.802 Intermediate Similarity NPC276657
0.8011 Intermediate Similarity NPC214106
0.8 Intermediate Similarity NPC252572
0.8 Intermediate Similarity NPC474492
0.7978 Intermediate Similarity NPC477042
0.7978 Intermediate Similarity NPC16659
0.7969 Intermediate Similarity NPC237414
0.7957 Intermediate Similarity NPC141612
0.7957 Intermediate Similarity NPC94752
0.7957 Intermediate Similarity NPC17273
0.7957 Intermediate Similarity NPC135601
0.7946 Intermediate Similarity NPC21429
0.794 Intermediate Similarity NPC471193
0.794 Intermediate Similarity NPC471194
0.7938 Intermediate Similarity NPC476073
0.7923 Intermediate Similarity NPC265710
0.791 Intermediate Similarity NPC242116
0.7895 Intermediate Similarity NPC267343
0.7889 Intermediate Similarity NPC72956
0.7889 Intermediate Similarity NPC82370
0.7887 Intermediate Similarity NPC471944
0.7874 Intermediate Similarity NPC251391
0.7869 Intermediate Similarity NPC240088
0.7869 Intermediate Similarity NPC473380
0.7853 Intermediate Similarity NPC470680
0.7853 Intermediate Similarity NPC100104
0.785 Intermediate Similarity NPC6865
0.785 Intermediate Similarity NPC153980
0.7849 Intermediate Similarity NPC110158
0.7842 Intermediate Similarity NPC216550
0.7841 Intermediate Similarity NPC216643
0.7826 Intermediate Similarity NPC55772
0.7822 Intermediate Similarity NPC36405
0.7822 Intermediate Similarity NPC322064
0.7819 Intermediate Similarity NPC278434
0.7789 Intermediate Similarity NPC138370
0.7784 Intermediate Similarity NPC88110
0.7784 Intermediate Similarity NPC91179
0.7772 Intermediate Similarity NPC145885
0.7772 Intermediate Similarity NPC84827
0.7772 Intermediate Similarity NPC14113
0.7772 Intermediate Similarity NPC474412
0.7765 Intermediate Similarity NPC265100
0.7761 Intermediate Similarity NPC110182
0.776 Intermediate Similarity NPC195239
0.776 Intermediate Similarity NPC157828
0.776 Intermediate Similarity NPC202812
0.774 Intermediate Similarity NPC76982
0.7735 Intermediate Similarity NPC70949
0.7734 Intermediate Similarity NPC471192
0.7725 Intermediate Similarity NPC196718
0.772 Intermediate Similarity NPC11445
0.772 Intermediate Similarity NPC128244
0.772 Intermediate Similarity NPC472293
0.7707 Intermediate Similarity NPC269270
0.7701 Intermediate Similarity NPC123906
0.77 Intermediate Similarity NPC478158
0.77 Intermediate Similarity NPC162860
0.7696 Intermediate Similarity NPC27041
0.7696 Intermediate Similarity NPC472285
0.7688 Intermediate Similarity NPC54420
0.7684 Intermediate Similarity NPC213629
0.768 Intermediate Similarity NPC56233
0.7676 Intermediate Similarity NPC157583
0.7676 Intermediate Similarity NPC59269
0.7676 Intermediate Similarity NPC111275
0.767 Intermediate Similarity NPC14686
0.767 Intermediate Similarity NPC323969
0.767 Intermediate Similarity NPC200214
0.7668 Intermediate Similarity NPC294693
0.7667 Intermediate Similarity NPC21174
0.7667 Intermediate Similarity NPC271797
0.7663 Intermediate Similarity NPC203468
0.7663 Intermediate Similarity NPC149155
0.7663 Intermediate Similarity NPC110500
0.7659 Intermediate Similarity NPC264285
0.7657 Intermediate Similarity NPC471655
0.7656 Intermediate Similarity NPC472292
0.7644 Intermediate Similarity NPC105811
0.7642 Intermediate Similarity NPC207686
0.7642 Intermediate Similarity NPC102593
0.7641 Intermediate Similarity NPC171317
0.7637 Intermediate Similarity NPC78020
0.7634 Intermediate Similarity NPC248041
0.7634 Intermediate Similarity NPC283219
0.7634 Intermediate Similarity NPC126709
0.7634 Intermediate Similarity NPC213468
0.763 Intermediate Similarity NPC314372
0.763 Intermediate Similarity NPC467188
0.7622 Intermediate Similarity NPC267885
0.7616 Intermediate Similarity NPC190296
0.7614 Intermediate Similarity NPC300183
0.7614 Intermediate Similarity NPC70406
0.7602 Intermediate Similarity NPC472297
0.7602 Intermediate Similarity NPC472296
0.7602 Intermediate Similarity NPC469779
0.7602 Intermediate Similarity NPC469783
0.7602 Intermediate Similarity NPC469761
0.7602 Intermediate Similarity NPC469767
0.7602 Intermediate Similarity NPC469780
0.7602 Intermediate Similarity NPC469784
0.7602 Intermediate Similarity NPC469768
0.7598 Intermediate Similarity NPC478157
0.7594 Intermediate Similarity NPC73994
0.7592 Intermediate Similarity NPC103119
0.7581 Intermediate Similarity NPC237188
0.7579 Intermediate Similarity NPC62749
0.7579 Intermediate Similarity NPC235684
0.7574 Intermediate Similarity NPC96102
0.7571 Intermediate Similarity NPC325903
0.7569 Intermediate Similarity NPC317105
0.7569 Intermediate Similarity NPC274981
0.7566 Intermediate Similarity NPC467063
0.7559 Intermediate Similarity NPC267078
0.7559 Intermediate Similarity NPC935
0.7558 Intermediate Similarity NPC469766
0.7557 Intermediate Similarity NPC24678
0.7557 Intermediate Similarity NPC105818
0.7557 Intermediate Similarity NPC313889
0.7554 Intermediate Similarity NPC262338
0.7546 Intermediate Similarity NPC101350
0.7544 Intermediate Similarity NPC73767
0.7529 Intermediate Similarity NPC84911
0.7529 Intermediate Similarity NPC159856
0.7529 Intermediate Similarity NPC105127
0.7526 Intermediate Similarity NPC269886
0.7526 Intermediate Similarity NPC472210
0.7526 Intermediate Similarity NPC472295
0.7526 Intermediate Similarity NPC247735
0.7526 Intermediate Similarity NPC81802
0.7523 Intermediate Similarity NPC474357
0.7523 Intermediate Similarity NPC70155
0.7514 Intermediate Similarity NPC472260
0.7513 Intermediate Similarity NPC293917
0.7512 Intermediate Similarity NPC16352
0.75 Intermediate Similarity NPC221873
0.75 Intermediate Similarity NPC235685
0.75 Intermediate Similarity NPC80681
0.75 Intermediate Similarity NPC473376
0.7487 Intermediate Similarity NPC476527

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC476460 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
0.8778 High Similarity NPD6180 Clinical (unspecified phase)
0.8486 Intermediate Similarity NPD4848 Phase 1
0.8444 Intermediate Similarity NPD3607 Clinical (unspecified phase)
0.8352 Intermediate Similarity NPD4426 Clinical (unspecified phase)
0.8281 Intermediate Similarity NPD2008 Discontinued
0.8214 Intermediate Similarity NPD2411 Approved
0.8187 Intermediate Similarity NPD3320 Approved
0.8187 Intermediate Similarity NPD3318 Approved
0.8187 Intermediate Similarity NPD3319 Phase 1
0.8128 Intermediate Similarity NPD4922 Phase 2
0.8043 Intermediate Similarity NPD7564 Discontinued
0.8021 Intermediate Similarity NPD8248 Clinical (unspecified phase)
0.801 Intermediate Similarity NPD2443 Approved
0.801 Intermediate Similarity NPD2442 Approved
0.7949 Intermediate Similarity NPD5426 Phase 3
0.7947 Intermediate Similarity NPD7618 Phase 3
0.7947 Intermediate Similarity NPD7619 Phase 3
0.7929 Intermediate Similarity NPD7998 Clinical (unspecified phase)
0.7919 Intermediate Similarity NPD2510 Approved
0.7919 Intermediate Similarity NPD2509 Approved
0.791 Intermediate Similarity NPD4851 Clinical (unspecified phase)
0.788 Intermediate Similarity NPD2479 Phase 3
0.788 Intermediate Similarity NPD2481 Approved
0.7857 Intermediate Similarity NPD6288 Clinical (unspecified phase)
0.7814 Intermediate Similarity NPD4075 Phase 2
0.7789 Intermediate Similarity NPD2408 Discontinued
0.7784 Intermediate Similarity NPD5473 Discontinued
0.7784 Intermediate Similarity NPD1291 Clinical (unspecified phase)
0.7772 Intermediate Similarity NPD6664 Approved
0.7766 Intermediate Similarity NPD5820 Clinical (unspecified phase)
0.7755 Intermediate Similarity NPD2881 Approved
0.7755 Intermediate Similarity NPD2879 Approved
0.7753 Intermediate Similarity NPD6454 Clinical (unspecified phase)
0.7739 Intermediate Similarity NPD6459 Phase 2
0.7725 Intermediate Similarity NPD4988 Discontinued
0.7723 Intermediate Similarity NPD6787 Phase 2
0.772 Intermediate Similarity NPD1851 Clinical (unspecified phase)
0.7716 Intermediate Similarity NPD2121 Clinical (unspecified phase)
0.7677 Intermediate Similarity NPD5901 Discontinued
0.7672 Intermediate Similarity NPD6217 Discontinued
0.7668 Intermediate Similarity NPD7024 Clinical (unspecified phase)
0.7663 Intermediate Similarity NPD482 Approved
0.766 Intermediate Similarity NPD2091 Phase 2
0.766 Intermediate Similarity NPD2096 Phase 2
0.7647 Intermediate Similarity NPD4011 Clinical (unspecified phase)
0.7647 Intermediate Similarity NPD3389 Approved
0.7647 Intermediate Similarity NPD3394 Approved
0.7647 Intermediate Similarity NPD3393 Approved
0.7624 Intermediate Similarity NPD8013 Clinical (unspecified phase)
0.7622 Intermediate Similarity NPD749 Clinical (unspecified phase)
0.7612 Intermediate Similarity NPD1600 Suspended
0.761 Intermediate Similarity NPD8000 Clinical (unspecified phase)
0.7606 Intermediate Similarity NPD2095 Phase 2
0.7606 Intermediate Similarity NPD2092 Phase 2
0.7606 Intermediate Similarity NPD5728 Clinical (unspecified phase)
0.7606 Intermediate Similarity NPD2094 Phase 2
0.7602 Intermediate Similarity NPD6999 Discontinued
0.7602 Intermediate Similarity NPD7000 Clinical (unspecified phase)
0.76 Intermediate Similarity NPD4374 Clinical (unspecified phase)
0.76 Intermediate Similarity NPD3905 Phase 3
0.7594 Intermediate Similarity NPD6595 Phase 3
0.759 Intermediate Similarity NPD2880 Discontinued
0.7588 Intermediate Similarity NPD3947 Discontinued
0.7574 Intermediate Similarity NPD198 Clinical (unspecified phase)
0.7574 Intermediate Similarity NPD4051 Discontinued
0.7558 Intermediate Similarity NPD1722 Approved
0.7557 Intermediate Similarity NPD2172 Phase 1
0.7544 Intermediate Similarity NPD786 Approved
0.7538 Intermediate Similarity NPD6176 Phase 1
0.7537 Intermediate Similarity NPD4614 Clinical (unspecified phase)
0.7536 Intermediate Similarity NPD5198 Approved
0.7536 Intermediate Similarity NPD5199 Approved
0.7525 Intermediate Similarity NPD7704 Clinical (unspecified phase)
0.7525 Intermediate Similarity NPD5017 Discontinued
0.7513 Intermediate Similarity NPD7621 Clinical (unspecified phase)
0.7512 Intermediate Similarity NPD8493 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD6987 Phase 1
0.7488 Intermediate Similarity NPD7809 Clinical (unspecified phase)
0.7487 Intermediate Similarity NPD5809 Phase 3
0.7487 Intermediate Similarity NPD6203 Clinical (unspecified phase)
0.7463 Intermediate Similarity NPD7001 Phase 3
0.7463 Intermediate Similarity NPD6732 Clinical (unspecified phase)
0.7461 Intermediate Similarity NPD1905 Clinical (unspecified phase)
0.7451 Intermediate Similarity NPD7470 Discontinued
0.7446 Intermediate Similarity NPD1343 Approved
0.7446 Intermediate Similarity NPD5069 Clinical (unspecified phase)
0.7443 Intermediate Similarity NPD1270 Approved
0.7401 Intermediate Similarity NPD3100 Discontinued
0.7393 Intermediate Similarity NPD7661 Clinical (unspecified phase)
0.7377 Intermediate Similarity NPD3583 Phase 2
0.7374 Intermediate Similarity NPD1982 Phase 1
0.7374 Intermediate Similarity NPD2837 Discontinued
0.7358 Intermediate Similarity NPD3961 Discontinued
0.7354 Intermediate Similarity NPD2590 Clinical (unspecified phase)
0.7344 Intermediate Similarity NPD6610 Clinical (unspecified phase)
0.7343 Intermediate Similarity NPD3757 Clinical (unspecified phase)
0.734 Intermediate Similarity NPD1506 Discontinued
0.734 Intermediate Similarity NPD6838 Clinical (unspecified phase)
0.7333 Intermediate Similarity NPD5592 Clinical (unspecified phase)
0.733 Intermediate Similarity NPD7594 Clinical (unspecified phase)
0.7326 Intermediate Similarity NPD750 Phase 2
0.7322 Intermediate Similarity NPD5400 Approved
0.7304 Intermediate Similarity NPD7666 Phase 3
0.7304 Intermediate Similarity NPD7665 Phase 2
0.7297 Intermediate Similarity NPD2642 Approved
0.7297 Intermediate Similarity NPD2639 Approved
0.729 Intermediate Similarity NPD4845 Discontinued
0.7287 Intermediate Similarity NPD4883 Approved
0.7268 Intermediate Similarity NPD2009 Clinical (unspecified phase)
0.7268 Intermediate Similarity NPD3486 Clinical (unspecified phase)
0.7263 Intermediate Similarity NPD4463 Approved
0.7263 Intermediate Similarity NPD4462 Approved
0.726 Intermediate Similarity NPD7970 Approved
0.726 Intermediate Similarity NPD7971 Clinical (unspecified phase)
0.7259 Intermediate Similarity NPD460 Discontinued
0.7258 Intermediate Similarity NPD2185 Clinical (unspecified phase)
0.7258 Intermediate Similarity NPD1292 Clinical (unspecified phase)
0.7251 Intermediate Similarity NPD6242 Discontinued
0.725 Intermediate Similarity NPD6137 Clinical (unspecified phase)
0.7246 Intermediate Similarity NPD8093 Discontinued
0.7246 Intermediate Similarity NPD7454 Approved
0.7246 Intermediate Similarity NPD7455 Approved
0.7241 Intermediate Similarity NPD4299 Phase 1
0.7234 Intermediate Similarity NPD4524 Discontinued
0.7225 Intermediate Similarity NPD6277 Clinical (unspecified phase)
0.7222 Intermediate Similarity NPD5855 Phase 3
0.7222 Intermediate Similarity NPD7944 Discontinued
0.7222 Intermediate Similarity NPD5853 Phase 3
0.722 Intermediate Similarity NPD5421 Clinical (unspecified phase)
0.7219 Intermediate Similarity NPD1575 Approved
0.7219 Intermediate Similarity NPD1573 Approved
0.7213 Intermediate Similarity NPD2213 Approved
0.7213 Intermediate Similarity NPD2214 Approved
0.7212 Intermediate Similarity NPD8094 Discontinued
0.7209 Intermediate Similarity NPD6165 Phase 2
0.7209 Intermediate Similarity NPD6164 Phase 2
0.7207 Intermediate Similarity NPD3914 Clinical (unspecified phase)
0.7202 Intermediate Similarity NPD8047 Clinical (unspecified phase)
0.7196 Intermediate Similarity NPD5065 Approved
0.7189 Intermediate Similarity NPD3323 Discontinued
0.7188 Intermediate Similarity NPD3178 Discontinued
0.7178 Intermediate Similarity NPD7903 Clinical (unspecified phase)
0.7172 Intermediate Similarity NPD4348 Clinical (unspecified phase)
0.7163 Intermediate Similarity NPD4852 Phase 2
0.7157 Intermediate Similarity NPD1658 Discontinued
0.7156 Intermediate Similarity NPD8405 Clinical (unspecified phase)
0.7156 Intermediate Similarity NPD6470 Phase 3
0.715 Intermediate Similarity NPD5105 Approved
0.715 Intermediate Similarity NPD5446 Phase 2
0.715 Intermediate Similarity NPD7401 Clinical (unspecified phase)
0.715 Intermediate Similarity NPD5106 Approved
0.715 Intermediate Similarity NPD1952 Discontinued
0.7136 Intermediate Similarity NPD6986 Phase 1
0.7135 Intermediate Similarity NPD1853 Clinical (unspecified phase)
0.7129 Intermediate Similarity NPD5888 Phase 2
0.7128 Intermediate Similarity NPD4184 Clinical (unspecified phase)
0.7128 Intermediate Similarity NPD7026 Phase 2
0.7127 Intermediate Similarity NPD5965 Clinical (unspecified phase)
0.7122 Intermediate Similarity NPD4862 Clinical (unspecified phase)
0.7121 Intermediate Similarity NPD5505 Discontinued
0.712 Intermediate Similarity NPD3506 Approved
0.712 Intermediate Similarity NPD3505 Approved
0.7115 Intermediate Similarity NPD5475 Discontinued
0.7115 Intermediate Similarity NPD6152 Phase 1
0.7112 Intermediate Similarity NPD4643 Clinical (unspecified phase)
0.7112 Intermediate Similarity NPD6446 Discontinued
0.7109 Intermediate Similarity NPD5818 Discontinued
0.7109 Intermediate Similarity NPD8406 Clinical (unspecified phase)
0.7105 Intermediate Similarity NPD4736 Clinical (unspecified phase)
0.7102 Intermediate Similarity NPD3943 Clinical (unspecified phase)
0.71 Intermediate Similarity NPD6226 Phase 3
0.7098 Intermediate Similarity NPD1895 Discontinued
0.7097 Intermediate Similarity NPD7780 Approved
0.7097 Intermediate Similarity NPD7781 Approved
0.7092 Intermediate Similarity NPD4948 Discontinued
0.7089 Intermediate Similarity NPD6210 Phase 3
0.7088 Intermediate Similarity NPD2790 Discontinued
0.7083 Intermediate Similarity NPD3078 Approved
0.7083 Intermediate Similarity NPD4076 Approved
0.7083 Intermediate Similarity NPD3076 Approved
0.7083 Intermediate Similarity NPD7603 Discontinued
0.7083 Intermediate Similarity NPD4079 Approved
0.7083 Intermediate Similarity NPD3079 Approved
0.7083 Intermediate Similarity NPD3077 Approved
0.7081 Intermediate Similarity NPD1403 Approved
0.7081 Intermediate Similarity NPD1404 Approved
0.7081 Intermediate Similarity NPD7656 Approved
0.7081 Intermediate Similarity NPD6954 Phase 2
0.7081 Intermediate Similarity NPD7657 Approved
0.7077 Intermediate Similarity NPD4336 Clinical (unspecified phase)
0.7074 Intermediate Similarity NPD2641 Approved
0.7074 Intermediate Similarity NPD2640 Approved
0.7071 Intermediate Similarity NPD2336 Approved
0.7068 Intermediate Similarity NPD4385 Clinical (unspecified phase)
0.7067 Intermediate Similarity NPD7825 Clinical (unspecified phase)
0.7059 Intermediate Similarity NPD4924 Clinical (unspecified phase)
0.7056 Intermediate Similarity NPD7175 Phase 1
0.7049 Intermediate Similarity NPD2061 Approved
0.7047 Intermediate Similarity NPD3927 Phase 2
0.7045 Intermediate Similarity NPD5040 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   5196982
ChEMBL   CHEMBL70704
ZINC  

Physicochemical Properties

Molecular Weight:  331.13
ALogP:  -1.4722
MLogP:  3.11
XLogP:  3.847
# Rotatable Bonds:  6
Polar Surface Area:  77.75
# H-Bond Aceptor:  5
# H-Bond Donor:  3
# Rings:  4
# Heavy Atoms:  25

Download Data

Data Type Select
General Info & Identifiers & Properties  
Structure MOL file  
Source Organisms  
Biological Activities  
Similar NPs/Drugs