Natural Product: NPC326966

Natural Product ID:  NPC326966
Common Name:   Enkephalin
IUPAC Name:   (2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoic acid
Synonyms:   Enkephalin; Leu-enkephalin; Leucine- enkephalin
Molecular Formula:   C28H37N5O7
Standard InCHIKey:  URLZCHNOLZSCCA-VABKMULXSA-N
Standard InCHI:  InChI=1S/C28H37N5O7/c1-17(2)12-23(28(39)40)33-27(38)22(14-18-6-4-3-5-7-18)32-25(36)16-30-24(35)15-31-26(37)21(29)13-19-8-10-20(34)11-9-19/h3-11,17,21-23,34H,12-16,29H2,1-2H3,(H,30,35)(H,31,37)(H,32,36)(H,33,38)(H,39,40)/t21-,22-,23-/m0/s1
Canonical SMILES:  Oc1ccc(cc1)C[C@@H](C(=NCC(=NCC(=N[C@H](C(=N[C@H](C(=O)O)CC(C)C)O)Cc1ccccc1)O)O)O)N
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
NPO1797 Homo sapiens Species Hominidae Eukaryota blood PMID[2583565]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT1074 Individual Protein Mu opioid receptor Cavia porcellus IC50 = 246 nM 6296388
NPT1167 Individual Protein Delta opioid receptor Mus musculus IC50 = 11.4 nM 6296388
NPT1069 Individual Protein Mu opioid receptor Rattus norvegicus IC50 = 49.8 nM 6296388
NPT1069 Individual Protein Mu opioid receptor Rattus norvegicus Ki = 27.7 nM 6296388
NPT3600 Individual Protein Delta opioid receptor Rattus norvegicus IC50 = 17.7 nM 6296388
NPT3600 Individual Protein Delta opioid receptor Rattus norvegicus Ki = 8.05 nM 6296388
NPT2 Others Unspecified Ratio = 0.046 6296388
NPT3600 Individual Protein Delta opioid receptor Rattus norvegicus Ratio = 0.291 6296388
NPT272 Individual Protein Kappa opioid receptor Homo sapiens Ki > 1000 nM 12747782
NPT145 Individual Protein Mu opioid receptor Homo sapiens Ki = 55 nM 12747782
NPT271 Individual Protein Delta opioid receptor Homo sapiens Ki = 0.7 nM 12747782
NPT938 Organism Cavia porcellus Cavia porcellus IC50 = 246 nM 2536436
NPT32 Organism Mus musculus Mus musculus IC50 = 11.4 nM 2536436
NPT2 Others Unspecified Ratio = 21.6 2536436
NPT1069 Individual Protein Mu opioid receptor Rattus norvegicus Ki = 9.43 nM 2536436
NPT3600 Individual Protein Delta opioid receptor Rattus norvegicus Ki = 2.53 nM 2536436
NPT3600 Individual Protein Delta opioid receptor Rattus norvegicus Ki = 1.5 nM 2536436
NPT1069 Individual Protein Mu opioid receptor Rattus norvegicus Ki = 9.43 nM 10479285
NPT3600 Individual Protein Delta opioid receptor Rattus norvegicus Ki = 2.53 nM 10479285
NPT1069 Individual Protein Mu opioid receptor Rattus norvegicus Ratio = 3.73 10479285
NPT145 Individual Protein Mu opioid receptor Homo sapiens IC50 = 9500 nM 12643904
NPT145 Individual Protein Mu opioid receptor Homo sapiens Ki = 4800 nM 12643904
NPT1074 Individual Protein Mu opioid receptor Cavia porcellus Ki = 9.43 nM 2444704
NPT271 Individual Protein Delta opioid receptor Homo sapiens Ki = 2.53 nM 2444704
NPT938 Organism Cavia porcellus Cavia porcellus IC50 = 213 nM 2444704
NPT32 Organism Mus musculus Mus musculus IC50 = 8.6 nM 2444704
NPT1069 Individual Protein Mu opioid receptor Rattus norvegicus Ki = 2.53 nM 10691681
NPT3600 Individual Protein Delta opioid receptor Rattus norvegicus Ki = 9.43 nM 10691681
NPT938 Organism Cavia porcellus Cavia porcellus IC50 = 246 nM 1433221
NPT32 Organism Mus musculus Mus musculus IC50 = 11.4 nM 1433221
NPT2 Others Unspecified Ratio = 0.046 1433221
NPT29 Organism Rattus norvegicus Rattus norvegicus ED50 > 0.1 mg/kg 1433221
NPT1069 Individual Protein Mu opioid receptor Rattus norvegicus Ki = 2.42 nM 11212102
NPT3600 Individual Protein Delta opioid receptor Rattus norvegicus Ki = 1.43 nM 11212102
NPT1074 Individual Protein Mu opioid receptor Cavia porcellus IC50 = 103 nM 11212102
NPT1167 Individual Protein Delta opioid receptor Mus musculus IC50 = 22.2 nM 11212102
NPT2 Others Unspecified Ratio = 4.64 11212102
NPT6162 Individual Protein Proenkephalin B Homo sapiens Kd = 7.1 nM 9871637
NPT1069 Individual Protein Mu opioid receptor Rattus norvegicus Ki = 24 nM 12372527
NPT3601 Individual Protein Kappa opioid receptor Rattus norvegicus Ki > 10000 nM 12372527
NPT271 Individual Protein Delta opioid receptor Homo sapiens Ki = 31 nM 12372527
NPT1069 Individual Protein Mu opioid receptor Rattus norvegicus Ki = 9.43 nM 8164255
NPT3600 Individual Protein Delta opioid receptor Rattus norvegicus Ki = 2.53 nM 8164255
NPT938 Organism Cavia porcellus Cavia porcellus IC50 = 246 nM 8164255
NPT32 Organism Mus musculus Mus musculus IC50 = 11.4 nM 8164255
NPT3602 Others Opioid receptors; mu & delta Rattus norvegicus Ratio = 0.268 8164255
NPT2 Others Unspecified Ratio = 0.0463 8164255
NPT1074 Individual Protein Mu opioid receptor Cavia porcellus Ki = 380 nM 2879914
NPT1075 Individual Protein Kappa opioid receptor Cavia porcellus Ki > 10000 nM 2879914
NPT271 Individual Protein Delta opioid receptor Homo sapiens Ki = 6 nM 2879914
NPT3590 Protein Family Opioid receptor Rattus norvegicus Activity = 38 % 6245213
NPT938 Organism Cavia porcellus Cavia porcellus Activity = 24 % 6245213
NPT1069 Individual Protein Mu opioid receptor Rattus norvegicus Ki = 9.43 nM 1331451
NPT3600 Individual Protein Delta opioid receptor Rattus norvegicus Ki = 2.53 nM 1331451
NPT1074 Individual Protein Mu opioid receptor Cavia porcellus IC50 = 246 nM 1331451
NPT1167 Individual Protein Delta opioid receptor Mus musculus IC50 = 11.4 nM 1331451
NPT3602 Others Opioid receptors; mu & delta Rattus norvegicus Ratio = 3.73 1331451
NPT2 Others Unspecified Ratio = 21.6 1331451
NPT145 Individual Protein Mu opioid receptor Homo sapiens Ki = 9.43 nM 11212101
NPT271 Individual Protein Delta opioid receptor Homo sapiens Ki = 2.53 nM 11212101
NPT1258 Others Opioid receptors; mu & delta Homo sapiens Ratio = 3.73 11212101
NPT938 Organism Cavia porcellus Cavia porcellus IC50 = 246 nM 11212101
NPT32 Organism Mus musculus Mus musculus IC50 = 11.4 nM 11212101
NPT29 Organism Rattus norvegicus Rattus norvegicus IC50 = 11 nM 6313921
NPT1168 Individual Protein Mu opioid receptor Mus musculus IC50 = 9.4 nM 6313921
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 37.7 12467635
NPT2 Others Unspecified IC50 = 100 nM 10.1016/S0960-894X(96)00565-3
NPT1069 Individual Protein Mu opioid receptor Rattus norvegicus Ki = 9.43 nM 8230106
NPT1069 Individual Protein Mu opioid receptor Rattus norvegicus Potency = 1 8230106
NPT3600 Individual Protein Delta opioid receptor Rattus norvegicus Ki = 2.53 nM 8230106
NPT3600 Individual Protein Delta opioid receptor Rattus norvegicus Potency = 1 8230106
NPT6163 Others Monoclonal antibody (mAb) 3E7 IC50 = 17.5 nM 10.1016/S0960-894X(01)80224-9
NPT1069 Individual Protein Mu opioid receptor Rattus norvegicus Ki = 9.43 nM 2999401
NPT3600 Individual Protein Delta opioid receptor Rattus norvegicus Ki = 2.53 nM 2999401
NPT938 Organism Cavia porcellus Cavia porcellus IC50 = 246 nM 2999401
NPT32 Organism Mus musculus Mus musculus IC50 = 11.4 nM 2999401
NPT2 Others Unspecified Ratio = 0.0463 2999401
NPT1069 Individual Protein Mu opioid receptor Rattus norvegicus Ki = 9.43 nM 2537427
NPT3600 Individual Protein Delta opioid receptor Rattus norvegicus Ki = 2.53 nM 2537427
NPT938 Organism Cavia porcellus Cavia porcellus IC50 = 246 nM 2537427
NPT32 Organism Mus musculus Mus musculus IC50 = 11.4 nM 2537427
NPT1258 Others Opioid receptors; mu & delta Homo sapiens Ratio = 0.268 2537427
NPT2 Others Unspecified Ratio = 0.0463 2537427
NPT2863 Protein Family Opioid receptor Mus musculus IC50 = 8.4 nM 6319699
NPT2863 Protein Family Opioid receptor Mus musculus IC50 = 75 nM 6319699
NPT1074 Individual Protein Mu opioid receptor Cavia porcellus IC50 = 246 nM 20218625
NPT1167 Individual Protein Delta opioid receptor Mus musculus IC50 = 11.4 nM 20218625
NPT1069 Individual Protein Mu opioid receptor Rattus norvegicus Ki = 9.43 nM 20218625
NPT3600 Individual Protein Delta opioid receptor Rattus norvegicus Ki = 2.53 nM 20218625
NPT1075 Individual Protein Kappa opioid receptor Cavia porcellus Ki = 4570 nM 20218625
NPT2 Others Unspecified Ratio Ki = 0.3 20218625
NPT2 Others Unspecified Ratio Ki = 485 20218625
NPT46 Individual Protein Thyroid hormone receptor beta-1 Homo sapiens Potency = 63095.7 nM PubChem BioAssay data set
NPT197 Protein-Protein Interaction Menin/Histone-lysine N-methyltransferase MLL Homo sapiens Potency = 3548.1 nM PubChem BioAssay data set
NPT73 Individual Protein Solute carrier organic anion transporter family member 1B1 Homo sapiens Activity = 26.8 % 12906759
NPT1167 Individual Protein Delta opioid receptor Mus musculus IC50 = 11.4 nM 23822516
NPT1074 Individual Protein Mu opioid receptor Cavia porcellus IC50 = 246 nM 23822516
NPT3600 Individual Protein Delta opioid receptor Rattus norvegicus Ki = 6.3 nM 23988352
NPT73 Individual Protein Solute carrier organic anion transporter family member 1B1 Homo sapiens Inhibition = 84.58 % 23571415
NPT72 Individual Protein Solute carrier organic anion transporter family member 1B3 Homo sapiens Inhibition = 87.68 % 23571415
NPT2 Others Unspecified Ki = 64.73 nM 26288687
NPT2 Others Unspecified Ki = 175.2 nM 26288687
NPT2 Others Unspecified Ki = 1317 nM 26288687

  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 NPC326966 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
0.952 High Similarity NPC325651
0.9024 High Similarity NPC283760
0.9 High Similarity NPC244866
0.896 High Similarity NPC27581
0.872 High Similarity NPC319950
0.8699 High Similarity NPC317254
0.8692 High Similarity NPC296712
0.8676 High Similarity NPC91953
0.8661 High Similarity NPC474862
0.8657 High Similarity NPC6570
0.8626 High Similarity NPC478147
0.8603 High Similarity NPC197921
0.854 High Similarity NPC469360
0.8529 High Similarity NPC48202
0.8496 Intermediate Similarity NPC45191
0.848 Intermediate Similarity NPC106551
0.848 Intermediate Similarity NPC281686
0.848 Intermediate Similarity NPC188867
0.8425 Intermediate Similarity NPC469243
0.8413 Intermediate Similarity NPC38458
0.8413 Intermediate Similarity NPC311737
0.8372 Intermediate Similarity NPC142577
0.8333 Intermediate Similarity NPC82963
0.832 Intermediate Similarity NPC118202
0.8299 Intermediate Similarity NPC475544
0.8281 Intermediate Similarity NPC239697
0.8255 Intermediate Similarity NPC223207
0.8248 Intermediate Similarity NPC6913
0.8235 Intermediate Similarity NPC267237
0.82 Intermediate Similarity NPC471771
0.82 Intermediate Similarity NPC290755
0.82 Intermediate Similarity NPC304074
0.8195 Intermediate Similarity NPC476353
0.8169 Intermediate Similarity NPC16188
0.816 Intermediate Similarity NPC474584
0.8151 Intermediate Similarity NPC473580
0.8145 Intermediate Similarity NPC474149
0.8143 Intermediate Similarity NPC168861
0.8133 Intermediate Similarity NPC63931
0.8079 Intermediate Similarity NPC61004
0.8071 Intermediate Similarity NPC476989
0.8065 Intermediate Similarity NPC258056
0.8062 Intermediate Similarity NPC142638
0.8062 Intermediate Similarity NPC317784
0.8056 Intermediate Similarity NPC132771
0.8039 Intermediate Similarity NPC198254
0.8039 Intermediate Similarity NPC274198
0.8015 Intermediate Similarity NPC326079
0.8 Intermediate Similarity NPC214988
0.8 Intermediate Similarity NPC319579
0.7984 Intermediate Similarity NPC96224
0.7984 Intermediate Similarity NPC24101
0.7972 Intermediate Similarity NPC81026
0.7967 Intermediate Similarity NPC231705
0.7967 Intermediate Similarity NPC327481
0.7945 Intermediate Similarity NPC233702
0.7922 Intermediate Similarity NPC276506
0.7919 Intermediate Similarity NPC56635
0.7903 Intermediate Similarity NPC142297
0.7902 Intermediate Similarity NPC266741
0.7899 Intermediate Similarity NPC470392
0.7891 Intermediate Similarity NPC202198
0.7868 Intermediate Similarity NPC145888
0.7868 Intermediate Similarity NPC161593
0.7868 Intermediate Similarity NPC16031
0.784 Intermediate Similarity NPC153690
0.7834 Intermediate Similarity NPC196243
0.781 Intermediate Similarity NPC271808
0.7806 Intermediate Similarity NPC46009
0.7792 Intermediate Similarity NPC328649
0.7778 Intermediate Similarity NPC4974
0.777 Intermediate Similarity NPC328070
0.777 Intermediate Similarity NPC56685
0.777 Intermediate Similarity NPC88667
0.7763 Intermediate Similarity NPC241794
0.7761 Intermediate Similarity NPC35996
0.7755 Intermediate Similarity NPC473491
0.7746 Intermediate Similarity NPC322526
0.7727 Intermediate Similarity NPC268572
0.7724 Intermediate Similarity NPC178902
0.7721 Intermediate Similarity NPC477937
0.7718 Intermediate Similarity NPC39431
0.7707 Intermediate Similarity NPC273755
0.7707 Intermediate Similarity NPC248670
0.7707 Intermediate Similarity NPC306804
0.7698 Intermediate Similarity NPC257390
0.7692 Intermediate Similarity NPC259800
0.7692 Intermediate Similarity NPC317741
0.7692 Intermediate Similarity NPC328137
0.7692 Intermediate Similarity NPC318028
0.7692 Intermediate Similarity NPC241086
0.7692 Intermediate Similarity NPC318984
0.7692 Intermediate Similarity NPC282087
0.7682 Intermediate Similarity NPC212699
0.7682 Intermediate Similarity NPC207675
0.7677 Intermediate Similarity NPC107938
0.7677 Intermediate Similarity NPC209463
0.7677 Intermediate Similarity NPC294516
0.7676 Intermediate Similarity NPC473055
0.7676 Intermediate Similarity NPC473052
0.7674 Intermediate Similarity NPC309808
0.7667 Intermediate Similarity NPC476268
0.7658 Intermediate Similarity NPC471165
0.7652 Intermediate Similarity NPC314992
0.7647 Intermediate Similarity NPC47667
0.7643 Intermediate Similarity NPC89831
0.7632 Intermediate Similarity NPC319320
0.7632 Intermediate Similarity NPC287757
0.7632 Intermediate Similarity NPC244336
0.7628 Intermediate Similarity NPC280022
0.7622 Intermediate Similarity NPC471201
0.7612 Intermediate Similarity NPC56634
0.761 Intermediate Similarity NPC50016
0.7606 Intermediate Similarity NPC64205
0.7595 Intermediate Similarity NPC475532
0.758 Intermediate Similarity NPC475123
0.758 Intermediate Similarity NPC40234
0.758 Intermediate Similarity NPC475204
0.7578 Intermediate Similarity NPC153554
0.7571 Intermediate Similarity NPC48909
0.7569 Intermediate Similarity NPC326860
0.7569 Intermediate Similarity NPC197239
0.7566 Intermediate Similarity NPC323336
0.7566 Intermediate Similarity NPC326349
0.7552 Intermediate Similarity NPC313694
0.7552 Intermediate Similarity NPC242159
0.7547 Intermediate Similarity NPC158277
0.7547 Intermediate Similarity NPC165285
0.7536 Intermediate Similarity NPC321561
0.7535 Intermediate Similarity NPC470441
0.7533 Intermediate Similarity NPC5194
0.7533 Intermediate Similarity NPC262166
0.7533 Intermediate Similarity NPC261934
0.7532 Intermediate Similarity NPC230611
0.7519 Intermediate Similarity NPC227553
0.7519 Intermediate Similarity NPC163674
0.7519 Intermediate Similarity NPC329011
0.7519 Intermediate Similarity NPC122009
0.7516 Intermediate Similarity NPC45037
0.7516 Intermediate Similarity NPC269750
0.7516 Intermediate Similarity NPC194671
0.75 Intermediate Similarity NPC17760
0.75 Intermediate Similarity NPC2265
0.7484 Intermediate Similarity NPC133470
0.7484 Intermediate Similarity NPC137627
0.7484 Intermediate Similarity NPC289776
0.7484 Intermediate Similarity NPC191863
0.748 Intermediate Similarity NPC125732
0.7463 Intermediate Similarity NPC43275
0.7447 Intermediate Similarity NPC275538
0.7444 Intermediate Similarity NPC283468
0.7444 Intermediate Similarity NPC169328
0.744 Intermediate Similarity NPC164859
0.7438 Intermediate Similarity NPC279871
0.7438 Intermediate Similarity NPC473354
0.7438 Intermediate Similarity NPC473402
0.7438 Intermediate Similarity NPC476227
0.7438 Intermediate Similarity NPC159767
0.7438 Intermediate Similarity NPC26108
0.7438 Intermediate Similarity NPC155506
0.7434 Intermediate Similarity NPC244509
0.7432 Intermediate Similarity NPC119569
0.7424 Intermediate Similarity NPC197470
0.7423 Intermediate Similarity NPC473404
0.741 Intermediate Similarity NPC210950
0.741 Intermediate Similarity NPC94862
0.741 Intermediate Similarity NPC199738
0.7407 Intermediate Similarity NPC190663
0.7407 Intermediate Similarity NPC45777
0.7407 Intermediate Similarity NPC477061
0.7405 Intermediate Similarity NPC129486
0.74 Intermediate Similarity NPC324081
0.7398 Intermediate Similarity NPC107619
0.7397 Intermediate Similarity NPC83289
0.7397 Intermediate Similarity NPC212850
0.7397 Intermediate Similarity NPC189724
0.7388 Intermediate Similarity NPC310467
0.7388 Intermediate Similarity NPC237420
0.7376 Intermediate Similarity NPC474091
0.7368 Intermediate Similarity NPC476742
0.7365 Intermediate Similarity NPC473804
0.7364 Intermediate Similarity NPC290566
0.7364 Intermediate Similarity NPC145638
0.7353 Intermediate Similarity NPC71684
0.7347 Intermediate Similarity NPC326241
0.7347 Intermediate Similarity NPC66518
0.7342 Intermediate Similarity NPC302597
0.7342 Intermediate Similarity NPC141957
0.7329 Intermediate Similarity NPC17698
0.7321 Intermediate Similarity NPC61332
0.7321 Intermediate Similarity NPC240130
0.732 Intermediate Similarity NPC476741
0.7319 Intermediate Similarity NPC307020
0.7313 Intermediate Similarity NPC470545
0.7301 Intermediate Similarity NPC97526
0.7301 Intermediate Similarity NPC119652
0.7299 Intermediate Similarity NPC160493
0.7293 Intermediate Similarity NPC213
0.7293 Intermediate Similarity NPC10286
0.7287 Intermediate Similarity NPC31274

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC326966 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
0.9291 High Similarity NPD3136 Phase 2
0.9237 High Similarity NPD6866 Clinical (unspecified phase)
0.9237 High Similarity NPD6867 Clinical (unspecified phase)
0.8881 High Similarity NPD7450 Phase 2
0.876 High Similarity NPD7451 Discontinued
0.8712 High Similarity NPD5729 Clinical (unspecified phase)
0.8676 High Similarity NPD7978 Discontinued
0.8483 Intermediate Similarity NPD7495 Discontinued
0.848 Intermediate Similarity NPD9568 Approved
0.844 Intermediate Similarity NPD6682 Clinical (unspecified phase)
0.8392 Intermediate Similarity NPD7523 Phase 3
0.8356 Intermediate Similarity NPD8019 Approved
0.811 Intermediate Similarity NPD256 Approved
0.811 Intermediate Similarity NPD255 Approved
0.7971 Intermediate Similarity NPD6346 Approved
0.7945 Intermediate Similarity NPD7303 Discontinued
0.7877 Intermediate Similarity NPD5348 Clinical (unspecified phase)
0.7868 Intermediate Similarity NPD9569 Approved
0.7847 Intermediate Similarity NPD7066 Clinical (unspecified phase)
0.7843 Intermediate Similarity NPD8303 Discontinued
0.7805 Intermediate Similarity NPD9608 Approved
0.7805 Intermediate Similarity NPD9610 Approved
0.7786 Intermediate Similarity NPD1759 Phase 1
0.777 Intermediate Similarity NPD259 Phase 1
0.7762 Intermediate Similarity NPD6809 Clinical (unspecified phase)
0.7761 Intermediate Similarity NPD2561 Approved
0.7761 Intermediate Similarity NPD2562 Approved
0.7724 Intermediate Similarity NPD3400 Discontinued
0.771 Intermediate Similarity NPD1758 Phase 1
0.7708 Intermediate Similarity NPD7596 Clinical (unspecified phase)
0.7692 Intermediate Similarity NPD1519 Approved
0.7692 Intermediate Similarity NPD1538 Phase 1
0.7692 Intermediate Similarity NPD1537 Approved
0.766 Intermediate Similarity NPD555 Phase 2
0.7652 Intermediate Similarity NPD2217 Approved
0.7652 Intermediate Similarity NPD2218 Phase 2
0.7647 Intermediate Similarity NPD196 Phase 1
0.763 Intermediate Similarity NPD6624 Discontinued
0.763 Intermediate Similarity NPD5108 Clinical (unspecified phase)
0.7626 Intermediate Similarity NPD9537 Phase 1
0.7626 Intermediate Similarity NPD9536 Phase 1
0.7619 Intermediate Similarity NPD7554 Discontinued
0.7594 Intermediate Similarity NPD4504 Clinical (unspecified phase)
0.7584 Intermediate Similarity NPD6390 Discontinued
0.758 Intermediate Similarity NPD7608 Discontinued
0.7574 Intermediate Similarity NPD3676 Clinical (unspecified phase)
0.7569 Intermediate Similarity NPD1523 Approved
0.7569 Intermediate Similarity NPD1522 Approved
0.7554 Intermediate Similarity NPD2614 Approved
0.7552 Intermediate Similarity NPD3553 Approved
0.7552 Intermediate Similarity NPD3555 Approved
0.7552 Intermediate Similarity NPD3554 Approved
0.7552 Intermediate Similarity NPD1536 Approved
0.7552 Intermediate Similarity NPD3552 Approved
0.7536 Intermediate Similarity NPD258 Approved
0.7536 Intermediate Similarity NPD257 Approved
0.7482 Intermediate Similarity NPD7828 Discontinued
0.7481 Intermediate Similarity NPD2956 Clinical (unspecified phase)
0.7467 Intermediate Similarity NPD4186 Clinical (unspecified phase)
0.7464 Intermediate Similarity NPD3053 Approved
0.7464 Intermediate Similarity NPD3055 Approved
0.746 Intermediate Similarity NPD1040 Phase 2
0.7451 Intermediate Similarity NPD7118 Clinical (unspecified phase)
0.7444 Intermediate Similarity NPD317 Approved
0.7444 Intermediate Similarity NPD318 Approved
0.7442 Intermediate Similarity NPD3642 Approved
0.7442 Intermediate Similarity NPD3643 Approved
0.7442 Intermediate Similarity NPD3644 Approved
0.7434 Intermediate Similarity NPD3455 Phase 2
0.7431 Intermediate Similarity NPD1520 Approved
0.7431 Intermediate Similarity NPD1521 Approved
0.7424 Intermediate Similarity NPD1348 Approved
0.7415 Intermediate Similarity NPD2976 Clinical (unspecified phase)
0.7405 Intermediate Similarity NPD2229 Approved
0.7405 Intermediate Similarity NPD2228 Approved
0.7405 Intermediate Similarity NPD2234 Approved
0.7391 Intermediate Similarity NPD5311 Approved
0.7391 Intermediate Similarity NPD5310 Approved
0.7376 Intermediate Similarity NPD9718 Approved
0.7364 Intermediate Similarity NPD9380 Clinical (unspecified phase)
0.7358 Intermediate Similarity NPD4652 Approved
0.7353 Intermediate Similarity NPD3421 Phase 3
0.7343 Intermediate Similarity NPD826 Approved
0.7343 Intermediate Similarity NPD825 Approved
0.7329 Intermediate Similarity NPD9570 Approved
0.7325 Intermediate Similarity NPD2098 Approved
0.7319 Intermediate Similarity NPD4659 Approved
0.7313 Intermediate Similarity NPD16 Approved
0.7313 Intermediate Similarity NPD856 Approved
0.7303 Intermediate Similarity NPD7131 Phase 3
0.7296 Intermediate Similarity NPD7485 Phase 3
0.7296 Intermediate Similarity NPD7484 Phase 3
0.7292 Intermediate Similarity NPD275 Approved
0.7292 Intermediate Similarity NPD274 Approved
0.729 Intermediate Similarity NPD5355 Approved
0.729 Intermediate Similarity NPD5356 Approved
0.7285 Intermediate Similarity NPD3536 Discontinued
0.7259 Intermediate Similarity NPD5303 Approved
0.7259 Intermediate Similarity NPD5304 Approved
0.7241 Intermediate Similarity NPD2568 Approved
0.7218 Intermediate Similarity NPD9618 Approved
0.7218 Intermediate Similarity NPD9614 Approved
0.7197 Intermediate Similarity NPD2097 Approved
0.7188 Intermediate Similarity NPD2017 Approved
0.7188 Intermediate Similarity NPD2890 Approved
0.7188 Intermediate Similarity NPD2889 Approved
0.7188 Intermediate Similarity NPD2888 Approved
0.7183 Intermediate Similarity NPD6359 Clinical (unspecified phase)
0.7163 Intermediate Similarity NPD2195 Approved
0.7163 Intermediate Similarity NPD2194 Approved
0.7154 Intermediate Similarity NPD2933 Approved
0.7154 Intermediate Similarity NPD2934 Approved
0.7153 Intermediate Similarity NPD6405 Approved
0.7153 Intermediate Similarity NPD6407 Approved
0.7143 Intermediate Similarity NPD6865 Phase 2
0.7143 Intermediate Similarity NPD6864 Phase 2
0.7143 Intermediate Similarity NPD5367 Discontinued
0.7134 Intermediate Similarity NPD7972 Discontinued
0.7133 Intermediate Similarity NPD5163 Phase 2
0.7133 Intermediate Similarity NPD6919 Clinical (unspecified phase)
0.7132 Intermediate Similarity NPD6093 Discontinued
0.7123 Intermediate Similarity NPD3054 Approved
0.7123 Intermediate Similarity NPD5314 Approved
0.7123 Intermediate Similarity NPD3052 Approved
0.7114 Intermediate Similarity NPD6681 Discovery
0.7101 Intermediate Similarity NPD3847 Discontinued
0.7097 Intermediate Similarity NPD2859 Approved
0.7097 Intermediate Similarity NPD2860 Approved
0.7092 Intermediate Similarity NPD6302 Clinical (unspecified phase)
0.7092 Intermediate Similarity NPD4104 Clinical (unspecified phase)
0.7092 Intermediate Similarity NPD4103 Phase 2
0.708 Intermediate Similarity NPD4093 Discontinued
0.7075 Intermediate Similarity NPD6852 Discontinued
0.7068 Intermediate Similarity NPD9379 Approved
0.7068 Intermediate Similarity NPD9377 Approved
0.7067 Intermediate Similarity NPD2460 Phase 3
0.7067 Intermediate Similarity NPD2459 Approved
0.7067 Intermediate Similarity NPD2458 Approved
0.7063 Intermediate Similarity NPD3020 Approved
0.7051 Intermediate Similarity NPD6502 Phase 2
0.704 Intermediate Similarity NPD9566 Approved
0.7034 Intermediate Similarity NPD5745 Approved
0.7029 Intermediate Similarity NPD5238 Clinical (unspecified phase)
0.7014 Intermediate Similarity NPD2372 Approved
0.7 Intermediate Similarity NPD2337 Clinical (unspecified phase)
0.6992 Remote Similarity NPD1812 Approved
0.6992 Remote Similarity NPD1814 Approved
0.6988 Remote Similarity NPD5557 Phase 1
0.6986 Remote Similarity NPD5323 Approved
0.6986 Remote Similarity NPD3059 Approved
0.6986 Remote Similarity NPD3062 Approved
0.6986 Remote Similarity NPD3061 Approved
0.698 Remote Similarity NPD2239 Approved
0.698 Remote Similarity NPD2240 Approved
0.6972 Remote Similarity NPD1133 Approved
0.6972 Remote Similarity NPD1129 Approved
0.6972 Remote Similarity NPD1131 Approved
0.6972 Remote Similarity NPD1135 Approved
0.6972 Remote Similarity NPD1134 Approved
0.697 Remote Similarity NPD3909 Discontinued
0.697 Remote Similarity NPD1792 Phase 2
0.6966 Remote Similarity NPD3056 Clinical (unspecified phase)
0.6966 Remote Similarity NPD8011 Discontinued
0.6966 Remote Similarity NPD2028 Clinical (unspecified phase)
0.6957 Remote Similarity NPD5981 Approved
0.695 Remote Similarity NPD9622 Approved
0.6946 Remote Similarity NPD7959 Clinical (unspecified phase)
0.6946 Remote Similarity NPD5445 Approved
0.6934 Remote Similarity NPD9613 Approved
0.6934 Remote Similarity NPD9616 Approved
0.6934 Remote Similarity NPD9615 Approved
0.6918 Remote Similarity NPD7477 Discontinued
0.6905 Remote Similarity NPD8014 Clinical (unspecified phase)
0.6903 Remote Similarity NPD52 Approved
0.6903 Remote Similarity NPD7526 Approved
0.6903 Remote Similarity NPD7527 Clinical (unspecified phase)
0.6901 Remote Similarity NPD3098 Discontinued
0.6901 Remote Similarity NPD3125 Approved
0.6899 Remote Similarity NPD2541 Clinical (unspecified phase)
0.6897 Remote Similarity NPD5746 Approved
0.6894 Remote Similarity NPD8031 Discontinued
0.6892 Remote Similarity NPD3528 Clinical (unspecified phase)
0.6887 Remote Similarity NPD7153 Discontinued
0.6884 Remote Similarity NPD2226 Clinical (unspecified phase)
0.6884 Remote Similarity NPD4479 Discontinued
0.6884 Remote Similarity NPD316 Approved
0.6882 Remote Similarity NPD5946 Clinical (unspecified phase)
0.6871 Remote Similarity NPD2203 Discontinued
0.687 Remote Similarity NPD1445 Approved
0.687 Remote Similarity NPD1444 Approved
0.6867 Remote Similarity NPD6897 Clinical (unspecified phase)
0.6863 Remote Similarity NPD8131 Suspended
0.6861 Remote Similarity NPD3123 Discovery
0.6857 Remote Similarity NPD1980 Approved
0.6857 Remote Similarity NPD1983 Approved
0.6857 Remote Similarity NPD1981 Approved
0.6855 Remote Similarity NPD4018 Clinical (unspecified phase)
0.685 Remote Similarity NPD9609 Approved
0.685 Remote Similarity NPD9612 Approved
0.685 Remote Similarity NPD9611 Approved

Structure

External Identifiers

PubChem CID   461776
ChEMBL   CHEMBL8234
ZINC  

Physicochemical Properties

Molecular Weight:  555.27
ALogP:  -1.698
MLogP:  3.22
XLogP:  1.367
# Rotatable Bonds:  24
Polar Surface Area:  213.91
# H-Bond Aceptor:  11
# H-Bond Donor:  7
# Rings:  2
# Heavy Atoms:  40

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Biological Activities  
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