Natural Product: NPC316981

Natural Product ID:  NPC316981
Common Name:   N-[2-(6-Hydroxy-5-Methoxy-1H-Indol-3-Yl)Ethyl]Acetamide
IUPAC Name:   N-[2-(6-hydroxy-5-methoxy-1H-indol-3-yl)ethyl]acetamide
Synonyms:   6-Hydroxymelatonin
Molecular Formula:   C13H16N2O3
Standard InCHIKey:  OMYMRCXOJJZYKE-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C13H16N2O3/c1-8(16)14-4-3-9-7-15-11-6-12(17)13(18-2)5-10(9)11/h5-7,15,17H,3-4H2,1-2H3,(H,14,16)
Canonical SMILES:  COc1cc2c(CCN=C(O)C)c[nH]c2cc1O
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[8255371]
NPO20338 Mus musculus Species Muridae Eukaryota PMID[19425150]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT149 Individual Protein Endoplasmic reticulum-associated amyloid beta-peptide-binding protein Homo sapiens Potency = 31622.8 nM PubChem BioAssay data set
NPT48 Individual Protein Lysine-specific demethylase 4D-like Homo sapiens Potency = 35481.3 nM PubChem BioAssay data set
NPT442 Individual Protein Ferritin light chain Equus caballus Potency = 44668.4 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency = 10000 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency = 17782.8 nM PubChem BioAssay data set
NPT55 Individual Protein Putative fructose-1,6-bisphosphate aldolase Giardia intestinalis Potency = 7062.7 nM PubChem BioAssay data set
NPT49 Individual Protein DNA-(apurinic or apyrimidinic site) lyase Homo sapiens Potency = 39810.7 nM PubChem BioAssay data set
NPT151 Individual Protein 15-hydroxyprostaglandin dehydrogenase [NAD+] Homo sapiens Potency = 39810.7 nM PubChem BioAssay data set
NPT1416 Individual Protein Neuropeptide S receptor Homo sapiens Potency = 10000 nM PubChem BioAssay data set
NPT110 Individual Protein Cytochrome P450 2D6 Homo sapiens Potency = 39810.7 nM PubChem BioAssay data set
NPT109 Individual Protein Cytochrome P450 3A4 Homo sapiens Potency = 15848.9 nM PubChem BioAssay data set
NPT800 Individual Protein M-phase phosphoprotein 8 Homo sapiens Potency 125.9 nM PubChem BioAssay data set
NPT5 Individual Protein Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 Homo sapiens Potency 22.4 nM PubChem BioAssay data set
NPT5 Individual Protein Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 Homo sapiens Potency 19952.6 nM PubChem BioAssay data set
NPT6 Organism Plasmodium falciparum Plasmodium falciparum Potency 9285 nM PubChem BioAssay data set
NPT1139 Individual Protein Arachidonate 15-lipoxygenase, type II Homo sapiens Potency 12589.3 nM PubChem BioAssay data set
NPT64 Individual Protein ATPase family AAA domain-containing protein 5 Homo sapiens Potency 29081 nM PubChem BioAssay data set
NPT110 Individual Protein Cytochrome P450 2D6 Homo sapiens AC50 = 39810.72 nM PubChem BioAssay data set
NPT109 Individual Protein Cytochrome P450 3A4 Homo sapiens AC50 = 15848.93 nM PubChem BioAssay data set
NPT208 Individual Protein Cytochrome P450 1A2 Homo sapiens AC50 = 31622.78 nM PubChem BioAssay data set
NPT7 Individual Protein Thioredoxin reductase 1, cytoplasmic Rattus norvegicus Potency 4228.4 nM PubChem BioAssay data set
NPT803 Individual Protein Flap endonuclease 1 Homo sapiens Potency 8436.8 nM PubChem BioAssay data set
NPT698 Individual Protein Regulator of G-protein signaling 4 Homo sapiens Potency 18887.6 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 4107.8 nM PubChem BioAssay data set
NPT7 Individual Protein Thioredoxin reductase 1, cytoplasmic Rattus norvegicus Potency 31622.8 nM PubChem BioAssay data set
NPT699 Individual Protein UDP-glucuronosyltransferase 1-10 Homo sapiens Activity = 0 pm/min/mg 10836148
NPT903 Individual Protein UDP-glucuronosyltransferase 1-7 Homo sapiens Activity = 0 pm/min/mg 10836148
NPT697 Individual Protein UDP-glucuronosyltransferase 2B7 Homo sapiens Activity = 0 pm/min/mg 10836148
NPT1852 Individual Protein Rac GTPase-activating protein 1 Homo sapiens IC50 52260 nM PubChem BioAssay data set
NPT2 Others Unspecified IC50 50670 nM PubChem BioAssay data set
NPT100 Individual Protein Glutaminase kidney isoform, mitochondrial Homo sapiens Potency 12589.3 nM PubChem BioAssay data set
NPT10 Individual Protein Geminin Homo sapiens Potency 112.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 4466.8 nM PubChem BioAssay data set
NPT104 Individual Protein Cerebroside-sulfatase Homo sapiens Potency 37933 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 NPC316981 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
0.9433 High Similarity NPC266931
0.9115 High Similarity NPC199277
0.9115 High Similarity NPC135887
0.9048 High Similarity NPC326634
0.8995 High Similarity NPC307963
0.8901 High Similarity NPC251090
0.8836 High Similarity NPC76748
0.8789 High Similarity NPC92111
0.8783 High Similarity NPC296527
0.873 High Similarity NPC46580
0.8624 High Similarity NPC314002
0.8579 High Similarity NPC171171
0.8571 High Similarity NPC204717
0.8549 High Similarity NPC99666
0.8519 High Similarity NPC220765
0.8515 High Similarity NPC11464
0.8513 High Similarity NPC13880
0.8419 Intermediate Similarity NPC295228
0.8392 Intermediate Similarity NPC232727
0.8365 Intermediate Similarity NPC193267
0.8365 Intermediate Similarity NPC213530
0.8358 Intermediate Similarity NPC285558
0.8342 Intermediate Similarity NPC176538
0.8333 Intermediate Similarity NPC280272
0.8307 Intermediate Similarity NPC96890
0.8307 Intermediate Similarity NPC184964
0.8281 Intermediate Similarity NPC84478
0.8276 Intermediate Similarity NPC193777
0.8265 Intermediate Similarity NPC217554
0.8252 Intermediate Similarity NPC112206
0.8252 Intermediate Similarity NPC202605
0.823 Intermediate Similarity NPC173080
0.8229 Intermediate Similarity NPC176127
0.8221 Intermediate Similarity NPC170114
0.8211 Intermediate Similarity NPC473183
0.8191 Intermediate Similarity NPC70956
0.8191 Intermediate Similarity NPC243834
0.8191 Intermediate Similarity NPC156704
0.8182 Intermediate Similarity NPC131017
0.8174 Intermediate Similarity NPC11408
0.8173 Intermediate Similarity NPC470549
0.8159 Intermediate Similarity NPC121772
0.8159 Intermediate Similarity NPC315957
0.8153 Intermediate Similarity NPC284141
0.8146 Intermediate Similarity NPC476465
0.8128 Intermediate Similarity NPC223427
0.8125 Intermediate Similarity NPC471080
0.8125 Intermediate Similarity NPC469592
0.8125 Intermediate Similarity NPC162530
0.8119 Intermediate Similarity NPC473184
0.8113 Intermediate Similarity NPC60621
0.81 Intermediate Similarity NPC77555
0.8073 Intermediate Similarity NPC72980
0.8069 Intermediate Similarity NPC234197
0.8068 Intermediate Similarity NPC167860
0.8068 Intermediate Similarity NPC123976
0.805 Intermediate Similarity NPC242209
0.804 Intermediate Similarity NPC106937
0.8029 Intermediate Similarity NPC208284
0.8029 Intermediate Similarity NPC246518
0.8028 Intermediate Similarity NPC310118
0.802 Intermediate Similarity NPC32771
0.801 Intermediate Similarity NPC88008
0.8009 Intermediate Similarity NPC110151
0.799 Intermediate Similarity NPC195268
0.799 Intermediate Similarity NPC48353
0.799 Intermediate Similarity NPC133140
0.798 Intermediate Similarity NPC315491
0.798 Intermediate Similarity NPC45459
0.798 Intermediate Similarity NPC213308
0.7972 Intermediate Similarity NPC469594
0.7971 Intermediate Similarity NPC475910
0.7962 Intermediate Similarity NPC8022
0.7962 Intermediate Similarity NPC470799
0.7951 Intermediate Similarity NPC162484
0.7931 Intermediate Similarity NPC476582
0.7931 Intermediate Similarity NPC476578
0.7931 Intermediate Similarity NPC4071
0.7913 Intermediate Similarity NPC475070
0.7913 Intermediate Similarity NPC16452
0.7913 Intermediate Similarity NPC476581
0.7913 Intermediate Similarity NPC36229
0.7909 Intermediate Similarity NPC473182
0.7907 Intermediate Similarity NPC118121
0.7902 Intermediate Similarity NPC475085
0.7902 Intermediate Similarity NPC475112
0.7902 Intermediate Similarity NPC291535
0.7895 Intermediate Similarity NPC5145
0.7892 Intermediate Similarity NPC329747
0.7887 Intermediate Similarity NPC204446
0.7885 Intermediate Similarity NPC18348
0.785 Intermediate Similarity NPC74360
0.7844 Intermediate Similarity NPC473185
0.7837 Intermediate Similarity NPC313189
0.7833 Intermediate Similarity NPC153042
0.782 Intermediate Similarity NPC53069
0.782 Intermediate Similarity NPC202768
0.782 Intermediate Similarity NPC296482
0.7805 Intermediate Similarity NPC329793
0.7805 Intermediate Similarity NPC19872
0.7805 Intermediate Similarity NPC477019
0.7804 Intermediate Similarity NPC473822
0.7793 Intermediate Similarity NPC277351
0.7783 Intermediate Similarity NPC478074
0.7778 Intermediate Similarity NPC476138
0.7778 Intermediate Similarity NPC245816
0.7767 Intermediate Similarity NPC31930
0.7762 Intermediate Similarity NPC185782
0.7762 Intermediate Similarity NPC469589
0.7751 Intermediate Similarity NPC183777
0.7736 Intermediate Similarity NPC26679
0.7725 Intermediate Similarity NPC131718
0.7718 Intermediate Similarity NPC249040
0.7717 Intermediate Similarity NPC214980
0.7707 Intermediate Similarity NPC72211
0.7706 Intermediate Similarity NPC122436
0.7704 Intermediate Similarity NPC88363
0.7703 Intermediate Similarity NPC476106
0.7696 Intermediate Similarity NPC222018
0.7692 Intermediate Similarity NPC475774
0.7688 Intermediate Similarity NPC94943
0.7685 Intermediate Similarity NPC473179
0.768 Intermediate Similarity NPC474409
0.7678 Intermediate Similarity NPC201697
0.7677 Intermediate Similarity NPC212535
0.7674 Intermediate Similarity NPC473513
0.7668 Intermediate Similarity NPC172222
0.7667 Intermediate Similarity NPC135549
0.7661 Intermediate Similarity NPC122463
0.7659 Intermediate Similarity NPC224928
0.7653 Intermediate Similarity NPC219087
0.7653 Intermediate Similarity NPC171409
0.7653 Intermediate Similarity NPC96405
0.765 Intermediate Similarity NPC174049
0.7647 Intermediate Similarity NPC252251
0.7644 Intermediate Similarity NPC102423
0.7639 Intermediate Similarity NPC303658
0.7639 Intermediate Similarity NPC264285
0.7638 Intermediate Similarity NPC190007
0.7635 Intermediate Similarity NPC324149
0.763 Intermediate Similarity NPC171787
0.7628 Intermediate Similarity NPC288349
0.7617 Intermediate Similarity NPC477610
0.761 Intermediate Similarity NPC70259
0.76 Intermediate Similarity NPC188387
0.76 Intermediate Similarity NPC163421
0.7594 Intermediate Similarity NPC174758
0.759 Intermediate Similarity NPC313791
0.7585 Intermediate Similarity NPC128823
0.7585 Intermediate Similarity NPC476167
0.7581 Intermediate Similarity NPC235076
0.7578 Intermediate Similarity NPC477531
0.7578 Intermediate Similarity NPC201508
0.7571 Intermediate Similarity NPC118832
0.7571 Intermediate Similarity NPC165349
0.7571 Intermediate Similarity NPC274291
0.7571 Intermediate Similarity NPC264166
0.7571 Intermediate Similarity NPC47059
0.7571 Intermediate Similarity NPC329708
0.757 Intermediate Similarity NPC251160
0.7562 Intermediate Similarity NPC204385
0.7561 Intermediate Similarity NPC276517
0.7561 Intermediate Similarity NPC43787
0.7561 Intermediate Similarity NPC205934
0.7559 Intermediate Similarity NPC188420
0.7559 Intermediate Similarity NPC471304
0.7558 Intermediate Similarity NPC23614
0.7558 Intermediate Similarity NPC100079
0.7557 Intermediate Similarity NPC153467
0.7551 Intermediate Similarity NPC312872
0.7547 Intermediate Similarity NPC82548
0.7536 Intermediate Similarity NPC192315
0.7536 Intermediate Similarity NPC306376
0.7536 Intermediate Similarity NPC472111
0.7535 Intermediate Similarity NPC271215
0.7535 Intermediate Similarity NPC149471
0.7534 Intermediate Similarity NPC477532
0.7534 Intermediate Similarity NPC209174
0.7523 Intermediate Similarity NPC87413
0.7522 Intermediate Similarity NPC78609
0.7512 Intermediate Similarity NPC476041
0.7512 Intermediate Similarity NPC304926
0.7512 Intermediate Similarity NPC209769
0.7512 Intermediate Similarity NPC325297
0.75 Intermediate Similarity NPC91868
0.75 Intermediate Similarity NPC63971
0.75 Intermediate Similarity NPC260434
0.7489 Intermediate Similarity NPC246381
0.7489 Intermediate Similarity NPC15801
0.7489 Intermediate Similarity NPC132642
0.7488 Intermediate Similarity NPC246700
0.7488 Intermediate Similarity NPC128084
0.7488 Intermediate Similarity NPC210256
0.7488 Intermediate Similarity NPC128751
0.7488 Intermediate Similarity NPC470500
0.7487 Intermediate Similarity NPC230869
0.7477 Intermediate Similarity NPC290689
0.7476 Intermediate Similarity NPC66815
0.7467 Intermediate Similarity NPC469554
0.7463 Intermediate Similarity NPC62069

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC316981 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
0.8995 High Similarity NPD1038 Approved
0.8762 High Similarity NPD5612 Discontinued
0.8698 High Similarity NPD1304 Clinical (unspecified phase)
0.8693 High Similarity NPD5658 Approved
0.855 High Similarity NPD1392 Approved
0.8223 Intermediate Similarity NPD5575 Clinical (unspecified phase)
0.8213 Intermediate Similarity NPD1322 Clinical (unspecified phase)
0.82 Intermediate Similarity NPD1768 Approved
0.8177 Intermediate Similarity NPD4795 Phase 2
0.8173 Intermediate Similarity NPD5903 Approved
0.8173 Intermediate Similarity NPD5902 Approved
0.8159 Intermediate Similarity NPD1740 Approved
0.8159 Intermediate Similarity NPD1739 Approved
0.8157 Intermediate Similarity NPD6494 Phase 2
0.8157 Intermediate Similarity NPD7558 Phase 2
0.8146 Intermediate Similarity NPD2189 Approved
0.8146 Intermediate Similarity NPD2187 Approved
0.8137 Intermediate Similarity NPD3003 Approved
0.804 Intermediate Similarity NPD802 Phase 2
0.8018 Intermediate Similarity NPD8512 Phase 3
0.799 Intermediate Similarity NPD3921 Approved
0.799 Intermediate Similarity NPD3924 Approved
0.799 Intermediate Similarity NPD3922 Approved
0.799 Intermediate Similarity NPD3923 Approved
0.798 Intermediate Similarity NPD484 Approved
0.7943 Intermediate Similarity NPD5067 Phase 2
0.7943 Intermediate Similarity NPD5066 Phase 2
0.7931 Intermediate Similarity NPD3825 Phase 3
0.7921 Intermediate Similarity NPD7948 Phase 1
0.7907 Intermediate Similarity NPD1954 Phase 1
0.7843 Intermediate Similarity NPD4118 Clinical (unspecified phase)
0.7822 Intermediate Similarity NPD3324 Clinical (unspecified phase)
0.782 Intermediate Similarity NPD3816 Phase 1
0.782 Intermediate Similarity NPD3815 Phase 1
0.7814 Intermediate Similarity NPD6242 Discontinued
0.7751 Intermediate Similarity NPD7453 Approved
0.7751 Intermediate Similarity NPD7452 Approved
0.7751 Intermediate Similarity NPD7222 Phase 2
0.7713 Intermediate Similarity NPD6964 Approved
0.7713 Intermediate Similarity NPD6963 Approved
0.7688 Intermediate Similarity NPD6344 Clinical (unspecified phase)
0.7665 Intermediate Similarity NPD4875 Phase 3
0.7665 Intermediate Similarity NPD4876 Phase 3
0.765 Intermediate Similarity NPD5930 Phase 3
0.7611 Intermediate Similarity NPD7729 Clinical (unspecified phase)
0.7598 Intermediate Similarity NPD6230 Discontinued
0.7574 Intermediate Similarity NPD8091 Phase 3
0.7571 Intermediate Similarity NPD4038 Approved
0.7571 Intermediate Similarity NPD4036 Approved
0.7571 Intermediate Similarity NPD4037 Approved
0.7571 Intermediate Similarity NPD4039 Approved
0.7571 Intermediate Similarity NPD4033 Approved
0.7571 Intermediate Similarity NPD31 Approved
0.7571 Intermediate Similarity NPD4034 Approved
0.7571 Intermediate Similarity NPD32 Approved
0.7571 Intermediate Similarity NPD4035 Approved
0.7571 Intermediate Similarity NPD4122 Approved
0.7569 Intermediate Similarity NPD5070 Clinical (unspecified phase)
0.7561 Intermediate Similarity NPD4418 Discontinued
0.7546 Intermediate Similarity NPD6803 Clinical (unspecified phase)
0.7543 Intermediate Similarity NPD6244 Phase 3
0.7543 Intermediate Similarity NPD6243 Phase 3
0.7525 Intermediate Similarity NPD3920 Phase 2
0.7523 Intermediate Similarity NPD4131 Phase 3
0.7521 Intermediate Similarity NPD4926 Clinical (unspecified phase)
0.7512 Intermediate Similarity NPD7823 Clinical (unspecified phase)
0.7489 Intermediate Similarity NPD5559 Phase 2
0.7479 Intermediate Similarity NPD7859 Phase 2
0.7477 Intermediate Similarity NPD6985 Discontinued
0.7443 Intermediate Similarity NPD7194 Discontinued
0.7443 Intermediate Similarity NPD3763 Approved
0.7442 Intermediate Similarity NPD949 Phase 1
0.7438 Intermediate Similarity NPD6257 Clinical (unspecified phase)
0.7436 Intermediate Similarity NPD6872 Clinical (unspecified phase)
0.7436 Intermediate Similarity NPD6503 Clinical (unspecified phase)
0.7434 Intermediate Similarity NPD4080 Discontinued
0.7424 Intermediate Similarity NPD7025 Clinical (unspecified phase)
0.7424 Intermediate Similarity NPD5905 Phase 1
0.7404 Intermediate Similarity NPD2952 Discontinued
0.7397 Intermediate Similarity NPD3354 Phase 2
0.7389 Intermediate Similarity NPD4885 Approved
0.7385 Intermediate Similarity NPD8510 Clinical (unspecified phase)
0.7374 Intermediate Similarity NPD1923 Clinical (unspecified phase)
0.7368 Intermediate Similarity NPD4454 Phase 2
0.7363 Intermediate Similarity NPD7414 Clinical (unspecified phase)
0.7361 Intermediate Similarity NPD4502 Phase 2
0.736 Intermediate Similarity NPD4083 Discontinued
0.7345 Intermediate Similarity NPD4995 Approved
0.7345 Intermediate Similarity NPD4996 Approved
0.7318 Intermediate Similarity NPD8405 Clinical (unspecified phase)
0.7318 Intermediate Similarity NPD5632 Approved
0.7301 Intermediate Similarity NPD1900 Clinical (unspecified phase)
0.7301 Intermediate Similarity NPD4925 Approved
0.7295 Intermediate Similarity NPD6569 Phase 2
0.7286 Intermediate Similarity NPD5065 Approved
0.7277 Intermediate Similarity NPD4203 Approved
0.7277 Intermediate Similarity NPD4204 Approved
0.7273 Intermediate Similarity NPD2921 Clinical (unspecified phase)
0.7264 Intermediate Similarity NPD4511 Phase 1
0.726 Intermediate Similarity NPD4551 Phase 2
0.7243 Intermediate Similarity NPD3397 Phase 2
0.7238 Intermediate Similarity NPD1622 Discontinued
0.7233 Intermediate Similarity NPD4021 Phase 2
0.7222 Intermediate Similarity NPD4184 Clinical (unspecified phase)
0.7222 Intermediate Similarity NPD1325 Approved
0.7222 Intermediate Similarity NPD1326 Approved
0.7222 Intermediate Similarity NPD5483 Clinical (unspecified phase)
0.721 Intermediate Similarity NPD6517 Phase 3
0.7186 Intermediate Similarity NPD1078 Clinical (unspecified phase)
0.7179 Intermediate Similarity NPD7067 Approved
0.7179 Intermediate Similarity NPD7068 Approved
0.7178 Intermediate Similarity NPD1620 Clinical (unspecified phase)
0.717 Intermediate Similarity NPD2177 Approved
0.717 Intermediate Similarity NPD2176 Approved
0.717 Intermediate Similarity NPD2175 Phase 3
0.7169 Intermediate Similarity NPD3330 Phase 1
0.7149 Intermediate Similarity NPD4349 Approved
0.7149 Intermediate Similarity NPD4350 Approved
0.7143 Intermediate Similarity NPD3395 Approved
0.7143 Intermediate Similarity NPD3396 Approved
0.7137 Intermediate Similarity NPD5051 Phase 1
0.7137 Intermediate Similarity NPD5833 Phase 1
0.713 Intermediate Similarity NPD8403 Phase 1
0.7129 Intermediate Similarity NPD4072 Approved
0.7129 Intermediate Similarity NPD5751 Clinical (unspecified phase)
0.7129 Intermediate Similarity NPD4071 Approved
0.7123 Intermediate Similarity NPD3570 Phase 2
0.711 Intermediate Similarity NPD4437 Phase 3
0.7105 Intermediate Similarity NPD7555 Discontinued
0.7097 Intermediate Similarity NPD3930 Clinical (unspecified phase)
0.7093 Intermediate Similarity NPD7603 Discontinued
0.7091 Intermediate Similarity NPD7069 Discontinued
0.7089 Intermediate Similarity NPD3814 Phase 1
0.7074 Intermediate Similarity NPD7589 Clinical (unspecified phase)
0.7073 Intermediate Similarity NPD6773 Clinical (unspecified phase)
0.7072 Intermediate Similarity NPD6147 Clinical (unspecified phase)
0.7064 Intermediate Similarity NPD5863 Clinical (unspecified phase)
0.7064 Intermediate Similarity NPD6473 Phase 1
0.7062 Intermediate Similarity NPD1602 Discontinued
0.7062 Intermediate Similarity NPD6861 Clinical (unspecified phase)
0.7061 Intermediate Similarity NPD6553 Clinical (unspecified phase)
0.7059 Intermediate Similarity NPD3886 Phase 1
0.7059 Intermediate Similarity NPD6595 Phase 3
0.7056 Intermediate Similarity NPD6219 Discontinued
0.7054 Intermediate Similarity NPD3402 Phase 1
0.7054 Intermediate Similarity NPD8442 Discontinued
0.7053 Intermediate Similarity NPD5256 Discontinued
0.7051 Intermediate Similarity NPD3932 Clinical (unspecified phase)
0.7051 Intermediate Similarity NPD4862 Clinical (unspecified phase)
0.7051 Intermediate Similarity NPD5530 Phase 1
0.7048 Intermediate Similarity NPD7719 Discontinued
0.704 Intermediate Similarity NPD5164 Discontinued
0.7037 Intermediate Similarity NPD7955 Approved
0.7037 Intermediate Similarity NPD7956 Approved
0.7034 Intermediate Similarity NPD7620 Phase 2
0.7033 Intermediate Similarity NPD3343 Phase 3
0.7033 Intermediate Similarity NPD8284 Discontinued
0.7032 Intermediate Similarity NPD1297 Clinical (unspecified phase)
0.7032 Intermediate Similarity NPD2125 Clinical (unspecified phase)
0.7029 Intermediate Similarity NPD5482 Discontinued
0.7027 Intermediate Similarity NPD6140 Clinical (unspecified phase)
0.7018 Intermediate Similarity NPD7676 Clinical (unspecified phase)
0.7018 Intermediate Similarity NPD7675 Phase 3
0.7018 Intermediate Similarity NPD7674 Phase 3
0.7018 Intermediate Similarity NPD7426 Phase 1
0.7012 Intermediate Similarity NPD5539 Phase 2
0.7009 Intermediate Similarity NPD4548 Discontinued
0.7009 Intermediate Similarity NPD5999 Phase 2
0.7008 Intermediate Similarity NPD6531 Approved
0.7008 Intermediate Similarity NPD6530 Approved
0.7005 Intermediate Similarity NPD4889 Approved
0.7 Intermediate Similarity NPD5641 Discontinued
0.7 Intermediate Similarity NPD7567 Approved
0.6996 Remote Similarity NPD7112 Discontinued
0.6995 Remote Similarity NPD749 Clinical (unspecified phase)
0.6991 Remote Similarity NPD5669 Clinical (unspecified phase)
0.6987 Remote Similarity NPD4558 Phase 2
0.6987 Remote Similarity NPD5007 Approved
0.6983 Remote Similarity NPD5040 Clinical (unspecified phase)
0.6982 Remote Similarity NPD5945 Phase 1
0.6982 Remote Similarity NPD5944 Phase 1
0.6977 Remote Similarity NPD4396 Clinical (unspecified phase)
0.6968 Remote Similarity NPD7470 Discontinued
0.6968 Remote Similarity NPD1300 Discontinued
0.6967 Remote Similarity NPD3634 Approved
0.6967 Remote Similarity NPD3633 Approved
0.6966 Remote Similarity NPD4343 Phase 1
0.6966 Remote Similarity NPD4344 Clinical (unspecified phase)
0.6964 Remote Similarity NPD7980 Clinical (unspecified phase)
0.6962 Remote Similarity NPD7413 Phase 3
0.6957 Remote Similarity NPD5083 Clinical (unspecified phase)
0.6953 Remote Similarity NPD2757 Phase 2
0.6952 Remote Similarity NPD2843 Phase 2
0.6952 Remote Similarity NPD2845 Phase 2
0.6951 Remote Similarity NPD4897 Phase 2
0.6948 Remote Similarity NPD3255 Phase 1
0.6948 Remote Similarity NPD3254 Phase 1
0.6946 Remote Similarity NPD482 Approved
0.6942 Remote Similarity NPD3386 Phase 2
0.6939 Remote Similarity NPD6228 Discontinued

Structure

External Identifiers

PubChem CID   1864
ChEMBL   CHEMBL127421
ZINC  

Physicochemical Properties

Molecular Weight:  248.12
ALogP:  -0.9612
MLogP:  2.34
XLogP:  0.797
# Rotatable Bonds:  8
Polar Surface Area:  77.84
# H-Bond Aceptor:  3
# H-Bond Donor:  3
# Rings:  2
# Heavy Atoms:  18

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