Natural Product: NPC92111

Natural Product ID:  NPC92111
Common Name:   5-Meo-Dmt
IUPAC Name:   2-(5-methoxy-1H-indol-3-yl)-N,N-dimethylethanamine
Synonyms:   5-OME-DMT; [2-(5-Methoxy-1H-Indol-3-Yl)-Ethyl]-Dimethyl-Amine
Molecular Formula:   C13H18N2O
Standard InCHIKey:  ZSTKHSQDNIGFLM-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C13H18N2O/c1-15(2)7-6-10-9-14-13-5-4-11(16-3)8-12(10)13/h4-5,8-9,14H,6-7H2,1-3H3
Canonical SMILES:  COc1ccc2c(c1)c(CCN(C)C)c[nH]2
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
NPO28260 Senna alexandrina Species Fabaceae Eukaryota TCMID*
NPO7804 Desmodium gangeticum Species Fabaceae Eukaryota TCMID*
NPO19935 Tetradium ruticarpum Species Rutaceae Eukaryota TCMID*
NPO17294 Desmodium pulchellum Species Fabaceae Eukaryota TCMID*
NPO19287 Phalaris arundinacea Species Poaceae Eukaryota TCMID*
NPO6371 Phryma leptostachya Species Phrymaceae Eukaryota UNPD*
NPO1716 Primula turkestanica Species Primulaceae Eukaryota UNPD*
NPO5199 Phyllospadix iwatensis Species Zosteraceae Eukaryota UNPD*
NPO9749 Alchemilla xanthochlora Species Rosaceae Eukaryota UNPD*
NPO4363 Amaranthus caudatus Species Amaranthaceae Eukaryota UNPD*
NPO2632 Bryum cryophilum Species Bryaceae Eukaryota UNPD*
NPO29555 Evodiae fructus NA NA NA TCMSP*
NPO17294 Desmodium pulchellum Species Fabaceae Eukaryota TCM_Taiwan*
NPO1797 Homo sapiens Species Hominidae Eukaryota blood Geigy Scientific Tables, 8th Rev edition. Edited by C. Lentner, West Cadwell, N.J.: Medical education Div., Ciba-Geigy Corp., Basel, Switzerland c1981-1992.
NPO1797 Homo sapiens Species Hominidae Eukaryota urine Geigy Scientific Tables, 8th Rev edition. Edited by C. Lentner, West Cadwell, N.J.: Medical education Div., Ciba-Geigy Corp., Basel, Switzerland c1981-1992.
NPO19287 Phalaris arundinacea Species Poaceae Eukaryota TCM_Taiwan*
NPO30823 Evodia rutaecarpa NA NA NA TCM_Taiwan*
NPO7804 Desmodium gangeticum Species Fabaceae Eukaryota TCM_Taiwan*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT294 Individual Protein Serotonin 6 (5-HT6) receptor Homo sapiens Ki = 16 nM 12825922
NPT1785 Individual Protein Serotonin 7 (5-HT7) receptor Homo sapiens Ki = 30 nM 12825922
NPT288 Individual Protein Serotonin 1a (5-HT1a) receptor Rattus norvegicus Ki = 7.8 nM 2965244
NPT289 Individual Protein Serotonin 1b (5-HT1b) receptor Rattus norvegicus Ki = 350 nM 2965244
NPT1777 Protein Family Serotonin 2 (5-HT2) receptor Rattus norvegicus Ki = 620 nM 2965244
NPT1777 Protein Family Serotonin 2 (5-HT2) receptor Rattus norvegicus Ki = 15 nM 2965244
NPT29 Organism Rattus norvegicus Rattus norvegicus ED50 = 1.43 mg/kg 2965244
NPT294 Individual Protein Serotonin 6 (5-HT6) receptor Homo sapiens Ki = 16 nM 11055342
NPT1778 Individual Protein Serotonin 2a (5-HT2a) receptor Rattus norvegicus Ki = 1600 nM 10514296
NPT29 Organism Rattus norvegicus Rattus norvegicus Kd = 83.18 nM 6815326
NPT1776 Protein Family Serotonin 1 (5-HT1) receptor Rattus norvegicus Ki = 50 nM 3543362
NPT288 Individual Protein Serotonin 1a (5-HT1a) receptor Rattus norvegicus Ki = 20 nM 3543362
NPT289 Individual Protein Serotonin 1b (5-HT1b) receptor Rattus norvegicus Ki = 90 nM 3543362
NPT1777 Protein Family Serotonin 2 (5-HT2) receptor Rattus norvegicus Ki = 1200 nM 3543362
NPT1777 Protein Family Serotonin 2 (5-HT2) receptor Rattus norvegicus Ki = 390 nM 3543362
NPT438 Individual Protein Serotonin 2c (5-HT2c) receptor Rattus norvegicus Ki = 960 nM 8027974
NPT290 Individual Protein Serotonin 2a (5-HT2a) receptor Homo sapiens Ki = 620 nM 8027974
NPT290 Individual Protein Serotonin 2a (5-HT2a) receptor Homo sapiens Ki = 15 nM 8027974
NPT2 Others Unspecified Ratio = 41 8027974
NPT292 Individual Protein Serotonin 2c (5-HT2c) receptor Homo sapiens Ratio = 65 8027974
NPT294 Individual Protein Serotonin 6 (5-HT6) receptor Homo sapiens Ki = 78 nM 10715164
NPT288 Individual Protein Serotonin 1a (5-HT1a) receptor Rattus norvegicus Ki = 69 nM 1534585
NPT1777 Protein Family Serotonin 2 (5-HT2) receptor Rattus norvegicus Ki = 15 nM 1534585
NPT974 Individual Protein Serotonin 1d (5-HT1d) receptor Homo sapiens Ki = 20 nM 8568822
NPT1779 Individual Protein Serotonin 2b (5-HT2b) receptor Rattus norvegicus Kd = 83.18 nM 7086824
NPT288 Individual Protein Serotonin 1a (5-HT1a) receptor Rattus norvegicus Ki = 5.495 nM 8568799
NPT288 Individual Protein Serotonin 1a (5-HT1a) receptor Rattus norvegicus Ki = 10 nM 2754715
NPT4041 Individual Protein Serotonin 7 (5-HT7) receptor Rattus norvegicus Ki = 39.81 nM 14640545
NPT92 Individual Protein Serotonin 1a (5-HT1a) receptor Homo sapiens IC50 = 15 nM 1447752
NPT973 Individual Protein Serotonin 1b (5-HT1b) receptor Homo sapiens IC50 = 550 nM 1447752
NPT438 Individual Protein Serotonin 2c (5-HT2c) receptor Rattus norvegicus IC50 = 250 nM 1447752
NPT4042 Individual Protein Serotonin 1d (5-HT1d) receptor Cavia porcellus IC50 = 49 nM 1447752
NPT1777 Protein Family Serotonin 2 (5-HT2) receptor Rattus norvegicus IC50 = 1900 nM 1447752
NPT1777 Protein Family Serotonin 2 (5-HT2) receptor Rattus norvegicus IC50 = 60 nM 1447752
NPT288 Individual Protein Serotonin 1a (5-HT1a) receptor Rattus norvegicus IC50 = 11 nM 1433172
NPT974 Individual Protein Serotonin 1d (5-HT1d) receptor Homo sapiens IC50 = 49 nM 1433172
NPT292 Individual Protein Serotonin 2c (5-HT2c) receptor Homo sapiens IC50 = 250 nM 1433172
NPT1777 Protein Family Serotonin 2 (5-HT2) receptor Rattus norvegicus IC50 = 130 nM 1433172
NPT1777 Protein Family Serotonin 2 (5-HT2) receptor Rattus norvegicus IC50 = 1800 nM 1433172
NPT1778 Individual Protein Serotonin 2a (5-HT2a) receptor Rattus norvegicus IC50 = 9.53 nM 16392816
NPT1778 Individual Protein Serotonin 2a (5-HT2a) receptor Rattus norvegicus EC50 = 462 nM 16392816
NPT1779 Individual Protein Serotonin 2b (5-HT2b) receptor Rattus norvegicus EC50 = 240 nM 16392816
NPT438 Individual Protein Serotonin 2c (5-HT2c) receptor Rattus norvegicus EC50 = 77.8 nM 16392816
NPT290 Individual Protein Serotonin 2a (5-HT2a) receptor Homo sapiens Ki = 15 nM 16392816
NPT291 Individual Protein Serotonin 2b (5-HT2b) receptor Homo sapiens Ki = 52 nM 16392816
NPT292 Individual Protein Serotonin 2c (5-HT2c) receptor Homo sapiens Ki = 42 nM 16392816
NPT616 Cell Line MDCK Canis lupus familiaris Ratio = 0.9 16392816
NPT616 Cell Line MDCK Canis lupus familiaris Ratio = 0.7 16392816
NPT4043 Protein Family Serotonin 2 (5-HT2) receptor Homo sapiens Activity = 12 % 16392816
NPT4043 Protein Family Serotonin 2 (5-HT2) receptor Homo sapiens Activity = 25.4 % 16392816
NPT4043 Protein Family Serotonin 2 (5-HT2) receptor Homo sapiens Activity = 26.1 % 16392816
NPT294 Individual Protein Serotonin 6 (5-HT6) receptor Homo sapiens Ki = 13 nM 16945532
NPT92 Individual Protein Serotonin 1a (5-HT1a) receptor Homo sapiens Ki = 28 nM 10.1021/np960678l
NPT92 Individual Protein Serotonin 1a (5-HT1a) receptor Homo sapiens EC50 = 197 nM PubChem BioAssay data set
NPT864 Individual Protein Lethal(3)malignant brain tumor-like protein 1 Homo sapiens Potency = 31622.8 nM PubChem BioAssay data set
NPT110 Individual Protein Cytochrome P450 2D6 Homo sapiens Potency = 19952.6 nM PubChem BioAssay data set
NPT212 Individual Protein Cytochrome P450 2C9 Homo sapiens Potency = 39810.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 35481.3 nM PubChem BioAssay data set
NPT4044 Individual Protein Short transient receptor potential channel 4 Mus musculus EC50 670 nM PubChem BioAssay data set
NPT110 Individual Protein Cytochrome P450 2D6 Homo sapiens AC50 = 19952.62 nM PubChem BioAssay data set
NPT208 Individual Protein Cytochrome P450 1A2 Homo sapiens AC50 = 15848.93 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 3548.1 nM PubChem BioAssay data set
NPT294 Individual Protein Serotonin 6 (5-HT6) receptor Homo sapiens Ki = 70 nM 10.1007/s00044-004-0121-8
NPT66 Individual Protein Acetylcholinesterase Electrophorus electricus IC50 = 14000 nM 24521095
NPT1776 Protein Family Serotonin 1 (5-HT1) receptor Rattus norvegicus Kd = 83.18 nM 533890
NPT1530 Protein Family Serotonin (5-HT) receptor Rattus norvegicus Kd = 83.18 nM 278843
NPT4045 Protein Family Serotonin (5-HT) receptor Homo sapiens Kd = 79.43 nM 278843
NPT4046 Individual Protein Melatonin receptor 1A Homo sapiens Ki = 210 nM 26023814
NPT4047 Individual Protein Melatonin receptor 1B Homo sapiens Ki = 16 nM 26023814
NPT2 Others Unspecified Ratio Ki = 10 26023814
NPT4046 Individual Protein Melatonin receptor 1A Homo sapiens EC50 = 257 nM 26023814
NPT4047 Individual Protein Melatonin receptor 1B Homo sapiens EC50 = 112 nM 26023814
NPT288 Individual Protein Serotonin 1a (5-HT1a) receptor Rattus norvegicus Ki = 11 nM 26023814
NPT1778 Individual Protein Serotonin 2a (5-HT2a) receptor Rattus norvegicus Ki = 92 nM 26023814

  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 NPC92111 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
0.9941 High Similarity NPC76748
0.9882 High Similarity NPC296527
0.9767 High Similarity NPC307963
0.9432 High Similarity NPC251090
0.9222 High Similarity NPC176538
0.9195 High Similarity NPC171171
0.9133 High Similarity NPC176127
0.9081 High Similarity NPC476465
0.908 High Similarity NPC204717
0.9029 High Similarity NPC314002
0.9023 High Similarity NPC220765
0.9 High Similarity NPC13880
0.8842 High Similarity NPC266931
0.8836 High Similarity NPC208284
0.8793 High Similarity NPC184964
0.8789 High Similarity NPC316981
0.8729 High Similarity NPC99666
0.8703 High Similarity NPC329793
0.8656 High Similarity NPC232727
0.8617 High Similarity NPC285558
0.8602 High Similarity NPC315957
0.8602 High Similarity NPC121772
0.8564 High Similarity NPC476138
0.8564 High Similarity NPC245816
0.8547 High Similarity NPC84478
0.8541 High Similarity NPC156704
0.8503 High Similarity NPC19872
0.8462 Intermediate Similarity NPC32771
0.8441 Intermediate Similarity NPC77555
0.841 Intermediate Similarity NPC470549
0.8407 Intermediate Similarity NPC46580
0.8378 Intermediate Similarity NPC106937
0.8367 Intermediate Similarity NPC170114
0.8333 Intermediate Similarity NPC131017
0.8325 Intermediate Similarity NPC475070
0.8307 Intermediate Similarity NPC315491
0.8307 Intermediate Similarity NPC45459
0.8299 Intermediate Similarity NPC167860
0.8299 Intermediate Similarity NPC471304
0.8299 Intermediate Similarity NPC123976
0.829 Intermediate Similarity NPC82548
0.8272 Intermediate Similarity NPC475774
0.8247 Intermediate Similarity NPC185782
0.8214 Intermediate Similarity NPC26679
0.8211 Intermediate Similarity NPC329747
0.8211 Intermediate Similarity NPC213308
0.8205 Intermediate Similarity NPC11464
0.8177 Intermediate Similarity NPC223427
0.8162 Intermediate Similarity NPC242928
0.8161 Intermediate Similarity NPC131718
0.8138 Intermediate Similarity NPC326634
0.8122 Intermediate Similarity NPC94157
0.8095 Intermediate Similarity NPC222018
0.8083 Intermediate Similarity NPC162484
0.8081 Intermediate Similarity NPC476287
0.8081 Intermediate Similarity NPC478074
0.8069 Intermediate Similarity NPC310118
0.8068 Intermediate Similarity NPC102423
0.8066 Intermediate Similarity NPC96890
0.806 Intermediate Similarity NPC74360
0.806 Intermediate Similarity NPC213530
0.806 Intermediate Similarity NPC193267
0.8051 Intermediate Similarity NPC88008
0.8041 Intermediate Similarity NPC47059
0.8041 Intermediate Similarity NPC118832
0.8041 Intermediate Similarity NPC274291
0.8041 Intermediate Similarity NPC264166
0.8041 Intermediate Similarity NPC329708
0.8041 Intermediate Similarity NPC165349
0.8038 Intermediate Similarity NPC295228
0.8033 Intermediate Similarity NPC474798
0.8031 Intermediate Similarity NPC199277
0.8031 Intermediate Similarity NPC135887
0.8022 Intermediate Similarity NPC88363
0.8021 Intermediate Similarity NPC234197
0.802 Intermediate Similarity NPC5145
0.8011 Intermediate Similarity NPC224764
0.801 Intermediate Similarity NPC96321
0.8 Intermediate Similarity NPC313791
0.8 Intermediate Similarity NPC8022
0.8 Intermediate Similarity NPC242209
0.8 Intermediate Similarity NPC230869
0.8 Intermediate Similarity NPC470799
0.798 Intermediate Similarity NPC60621
0.7969 Intermediate Similarity NPC287437
0.7966 Intermediate Similarity NPC311276
0.7959 Intermediate Similarity NPC193777
0.7958 Intermediate Similarity NPC267928
0.7946 Intermediate Similarity NPC284678
0.7941 Intermediate Similarity NPC280272
0.7937 Intermediate Similarity NPC133140
0.7937 Intermediate Similarity NPC195268
0.7927 Intermediate Similarity NPC249040
0.7923 Intermediate Similarity NPC42979
0.7919 Intermediate Similarity NPC475910
0.7919 Intermediate Similarity NPC171787
0.7908 Intermediate Similarity NPC300156
0.7908 Intermediate Similarity NPC472111
0.7908 Intermediate Similarity NPC45190
0.79 Intermediate Similarity NPC477610
0.7895 Intermediate Similarity NPC84853
0.7895 Intermediate Similarity NPC469554
0.7882 Intermediate Similarity NPC292958
0.7876 Intermediate Similarity NPC4071
0.7876 Intermediate Similarity NPC476578
0.7876 Intermediate Similarity NPC476167
0.7876 Intermediate Similarity NPC476582
0.7876 Intermediate Similarity NPC128823
0.7874 Intermediate Similarity NPC73952
0.7874 Intermediate Similarity NPC25008
0.7874 Intermediate Similarity NPC469786
0.7874 Intermediate Similarity NPC469760
0.7874 Intermediate Similarity NPC110151
0.7874 Intermediate Similarity NPC469765
0.7874 Intermediate Similarity NPC26872
0.7874 Intermediate Similarity NPC259644
0.7874 Intermediate Similarity NPC469763
0.7871 Intermediate Similarity NPC304926
0.7871 Intermediate Similarity NPC476041
0.7865 Intermediate Similarity NPC70956
0.7865 Intermediate Similarity NPC243834
0.785 Intermediate Similarity NPC219087
0.7843 Intermediate Similarity NPC472099
0.7843 Intermediate Similarity NPC132642
0.7842 Intermediate Similarity NPC324149
0.7837 Intermediate Similarity NPC314954
0.7835 Intermediate Similarity NPC477019
0.7829 Intermediate Similarity NPC80597
0.7829 Intermediate Similarity NPC75540
0.7829 Intermediate Similarity NPC70922
0.7829 Intermediate Similarity NPC212376
0.7829 Intermediate Similarity NPC211572
0.7826 Intermediate Similarity NPC72980
0.7824 Intermediate Similarity NPC192315
0.7824 Intermediate Similarity NPC72211
0.7816 Intermediate Similarity NPC122436
0.7812 Intermediate Similarity NPC70259
0.7811 Intermediate Similarity NPC471080
0.7811 Intermediate Similarity NPC469592
0.781 Intermediate Similarity NPC101543
0.7809 Intermediate Similarity NPC177404
0.7809 Intermediate Similarity NPC282231
0.7789 Intermediate Similarity NPC174758
0.7789 Intermediate Similarity NPC174672
0.7789 Intermediate Similarity NPC201697
0.7784 Intermediate Similarity NPC469785
0.7778 Intermediate Similarity NPC246700
0.7778 Intermediate Similarity NPC49954
0.7778 Intermediate Similarity NPC474561
0.7778 Intermediate Similarity NPC128751
0.7778 Intermediate Similarity NPC160105
0.7778 Intermediate Similarity NPC313189
0.7773 Intermediate Similarity NPC180504
0.7766 Intermediate Similarity NPC16452
0.7766 Intermediate Similarity NPC476581
0.7766 Intermediate Similarity NPC36229
0.776 Intermediate Similarity NPC43787
0.776 Intermediate Similarity NPC205934
0.7759 Intermediate Similarity NPC105818
0.7759 Intermediate Similarity NPC24678
0.7753 Intermediate Similarity NPC279918
0.7751 Intermediate Similarity NPC73767
0.7745 Intermediate Similarity NPC477609
0.774 Intermediate Similarity NPC469762
0.774 Intermediate Similarity NPC153467
0.7737 Intermediate Similarity NPC469497
0.7737 Intermediate Similarity NPC106833
0.7733 Intermediate Similarity NPC159856
0.7733 Intermediate Similarity NPC314372
0.7727 Intermediate Similarity NPC323345
0.7727 Intermediate Similarity NPC470164
0.7723 Intermediate Similarity NPC162530
0.7719 Intermediate Similarity NPC190296
0.7713 Intermediate Similarity NPC188387
0.7713 Intermediate Similarity NPC163421
0.771 Intermediate Similarity NPC11408
0.7703 Intermediate Similarity NPC478078
0.77 Intermediate Similarity NPC476116
0.7696 Intermediate Similarity NPC138370
0.7688 Intermediate Similarity NPC193238
0.7688 Intermediate Similarity NPC321428
0.768 Intermediate Similarity NPC54988
0.7673 Intermediate Similarity NPC296482
0.7673 Intermediate Similarity NPC202768
0.7673 Intermediate Similarity NPC53069
0.7673 Intermediate Similarity NPC472098
0.7673 Intermediate Similarity NPC48353
0.7668 Intermediate Similarity NPC276517
0.7667 Intermediate Similarity NPC118511
0.7667 Intermediate Similarity NPC311906
0.7664 Intermediate Similarity NPC15801
0.7659 Intermediate Similarity NPC469594
0.765 Intermediate Similarity NPC287208
0.7647 Intermediate Similarity NPC148183
0.7647 Intermediate Similarity NPC110126
0.7647 Intermediate Similarity NPC152768
0.7647 Intermediate Similarity NPC288349
0.764 Intermediate Similarity NPC26850
0.7639 Intermediate Similarity NPC217554
0.7637 Intermediate Similarity NPC63751

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC92111 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
0.9767 High Similarity NPD1038 Approved
0.9767 High Similarity NPD1304 Clinical (unspecified phase)
0.9081 High Similarity NPD2187 Approved
0.9081 High Similarity NPD2189 Approved
0.8852 High Similarity NPD3825 Phase 3
0.8785 High Similarity NPD5575 Clinical (unspecified phase)
0.875 High Similarity NPD4118 Clinical (unspecified phase)
0.8743 High Similarity NPD1322 Clinical (unspecified phase)
0.8717 High Similarity NPD4795 Phase 2
0.8667 High Similarity NPD6242 Discontinued
0.8653 High Similarity NPD5612 Discontinued
0.8634 High Similarity NPD3324 Clinical (unspecified phase)
0.8602 High Similarity NPD1739 Approved
0.8602 High Similarity NPD1740 Approved
0.8429 Intermediate Similarity NPD1392 Approved
0.8385 Intermediate Similarity NPD5658 Approved
0.8378 Intermediate Similarity NPD802 Phase 2
0.8307 Intermediate Similarity NPD484 Approved
0.8276 Intermediate Similarity NPD5559 Phase 2
0.8163 Intermediate Similarity NPD5067 Phase 2
0.8163 Intermediate Similarity NPD5066 Phase 2
0.8138 Intermediate Similarity NPD4418 Discontinued
0.8063 Intermediate Similarity NPD1768 Approved
0.8053 Intermediate Similarity NPD7948 Phase 1
0.805 Intermediate Similarity NPD7823 Clinical (unspecified phase)
0.8041 Intermediate Similarity NPD4034 Approved
0.8041 Intermediate Similarity NPD31 Approved
0.8041 Intermediate Similarity NPD4122 Approved
0.8041 Intermediate Similarity NPD32 Approved
0.8041 Intermediate Similarity NPD4033 Approved
0.8041 Intermediate Similarity NPD4036 Approved
0.8041 Intermediate Similarity NPD4038 Approved
0.8041 Intermediate Similarity NPD4035 Approved
0.8041 Intermediate Similarity NPD4039 Approved
0.8041 Intermediate Similarity NPD4037 Approved
0.8 Intermediate Similarity NPD3003 Approved
0.7944 Intermediate Similarity NPD1078 Clinical (unspecified phase)
0.7937 Intermediate Similarity NPD3924 Approved
0.7937 Intermediate Similarity NPD3922 Approved
0.7937 Intermediate Similarity NPD3921 Approved
0.7937 Intermediate Similarity NPD3923 Approved
0.791 Intermediate Similarity NPD6803 Clinical (unspecified phase)
0.7882 Intermediate Similarity NPD3402 Phase 1
0.7868 Intermediate Similarity NPD7452 Approved
0.7868 Intermediate Similarity NPD7222 Phase 2
0.7868 Intermediate Similarity NPD7453 Approved
0.7857 Intermediate Similarity NPD5065 Approved
0.7846 Intermediate Similarity NPD5669 Clinical (unspecified phase)
0.7833 Intermediate Similarity NPD3354 Phase 2
0.7807 Intermediate Similarity NPD6344 Clinical (unspecified phase)
0.78 Intermediate Similarity NPD949 Phase 1
0.7789 Intermediate Similarity NPD2125 Clinical (unspecified phase)
0.7766 Intermediate Similarity NPD3397 Phase 2
0.7735 Intermediate Similarity NPD6872 Clinical (unspecified phase)
0.772 Intermediate Similarity NPD3477 Phase 2
0.772 Intermediate Similarity NPD3478 Clinical (unspecified phase)
0.7696 Intermediate Similarity NPD5483 Clinical (unspecified phase)
0.7692 Intermediate Similarity NPD565 Phase 2
0.7692 Intermediate Similarity NPD4184 Clinical (unspecified phase)
0.7689 Intermediate Similarity NPD7558 Phase 2
0.7685 Intermediate Similarity NPD5903 Approved
0.7685 Intermediate Similarity NPD5902 Approved
0.768 Intermediate Similarity NPD2952 Discontinued
0.7676 Intermediate Similarity NPD4071 Approved
0.7676 Intermediate Similarity NPD4072 Approved
0.7673 Intermediate Similarity NPD3815 Phase 1
0.7673 Intermediate Similarity NPD3816 Phase 1
0.7654 Intermediate Similarity NPD9705 Discontinued
0.7654 Intermediate Similarity NPD112 Approved
0.765 Intermediate Similarity NPD5529 Phase 1
0.765 Intermediate Similarity NPD5528 Clinical (unspecified phase)
0.7647 Intermediate Similarity NPD4203 Approved
0.7647 Intermediate Similarity NPD4204 Approved
0.7647 Intermediate Similarity NPD786 Approved
0.7638 Intermediate Similarity NPD8403 Phase 1
0.7632 Intermediate Similarity NPD1033 Clinical (unspecified phase)
0.7632 Intermediate Similarity NPD1034 Phase 3
0.7604 Intermediate Similarity NPD5912 Clinical (unspecified phase)
0.7604 Intermediate Similarity NPD5913 Phase 3
0.7602 Intermediate Similarity NPD4548 Discontinued
0.7596 Intermediate Similarity NPD1325 Approved
0.7596 Intermediate Similarity NPD1326 Approved
0.7591 Intermediate Similarity NPD4558 Phase 2
0.7581 Intermediate Similarity NPD1032 Phase 2
0.7579 Intermediate Similarity NPD5256 Discontinued
0.7574 Intermediate Similarity NPD198 Clinical (unspecified phase)
0.7565 Intermediate Similarity NPD6569 Phase 2
0.7553 Intermediate Similarity NPD7414 Clinical (unspecified phase)
0.755 Intermediate Similarity NPD4862 Clinical (unspecified phase)
0.7535 Intermediate Similarity NPD3006 Discontinued
0.7529 Intermediate Similarity NPD1305 Clinical (unspecified phase)
0.7526 Intermediate Similarity NPD4889 Approved
0.7525 Intermediate Similarity NPD4511 Phase 1
0.7513 Intermediate Similarity NPD5999 Phase 2
0.7512 Intermediate Similarity NPD2921 Clinical (unspecified phase)
0.7512 Intermediate Similarity NPD6140 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD6595 Phase 3
0.7488 Intermediate Similarity NPD4429 Discontinued
0.7488 Intermediate Similarity NPD8405 Clinical (unspecified phase)
0.7487 Intermediate Similarity NPD2144 Approved
0.7476 Intermediate Similarity NPD6147 Clinical (unspecified phase)
0.7475 Intermediate Similarity NPD2509 Approved
0.7475 Intermediate Similarity NPD2510 Approved
0.7465 Intermediate Similarity NPD8512 Phase 3
0.7463 Intermediate Similarity NPD5601 Phase 2
0.746 Intermediate Similarity NPD3386 Phase 2
0.7459 Intermediate Similarity NPD5680 Clinical (unspecified phase)
0.7457 Intermediate Similarity NPD1722 Approved
0.7454 Intermediate Similarity NPD4454 Phase 2
0.7452 Intermediate Similarity NPD3514 Clinical (unspecified phase)
0.7451 Intermediate Similarity NPD7470 Discontinued
0.745 Intermediate Similarity NPD2121 Clinical (unspecified phase)
0.7448 Intermediate Similarity NPD6257 Clinical (unspecified phase)
0.7447 Intermediate Similarity NPD3920 Phase 2
0.7444 Intermediate Similarity NPD2581 Approved
0.7444 Intermediate Similarity NPD2582 Approved
0.7442 Intermediate Similarity NPD6494 Phase 2
0.7436 Intermediate Similarity NPD4551 Phase 2
0.7433 Intermediate Similarity NPD749 Clinical (unspecified phase)
0.7419 Intermediate Similarity NPD4343 Phase 1
0.7419 Intermediate Similarity NPD4344 Clinical (unspecified phase)
0.7418 Intermediate Similarity NPD7555 Discontinued
0.7416 Intermediate Similarity NPD5930 Phase 3
0.7411 Intermediate Similarity NPD6769 Clinical (unspecified phase)
0.7406 Intermediate Similarity NPD7050 Clinical (unspecified phase)
0.7406 Intermediate Similarity NPD7051 Phase 3
0.7404 Intermediate Similarity NPD6985 Discontinued
0.7404 Intermediate Similarity NPD5632 Approved
0.7401 Intermediate Similarity NPD3100 Discontinued
0.7396 Intermediate Similarity NPD4920 Clinical (unspecified phase)
0.7396 Intermediate Similarity NPD4921 Phase 3
0.7396 Intermediate Similarity NPD4919 Phase 3
0.7395 Intermediate Similarity NPD4885 Approved
0.7387 Intermediate Similarity NPD4396 Clinical (unspecified phase)
0.7383 Intermediate Similarity NPD6969 Phase 2
0.7383 Intermediate Similarity NPD7567 Approved
0.7383 Intermediate Similarity NPD6968 Phase 2
0.738 Intermediate Similarity NPD1923 Clinical (unspecified phase)
0.738 Intermediate Similarity NPD482 Approved
0.7368 Intermediate Similarity NPD3038 Discontinued
0.7368 Intermediate Similarity NPD7194 Discontinued
0.7366 Intermediate Similarity NPD4502 Phase 2
0.7358 Intermediate Similarity NPD3938 Phase 1
0.7356 Intermediate Similarity NPD3440 Clinical (unspecified phase)
0.7354 Intermediate Similarity NPD1620 Clinical (unspecified phase)
0.7351 Intermediate Similarity NPD5069 Clinical (unspecified phase)
0.7344 Intermediate Similarity NPD7424 Clinical (unspecified phase)
0.7344 Intermediate Similarity NPD6610 Clinical (unspecified phase)
0.733 Intermediate Similarity NPD3330 Phase 1
0.733 Intermediate Similarity NPD2094 Phase 2
0.733 Intermediate Similarity NPD2095 Phase 2
0.733 Intermediate Similarity NPD2092 Phase 2
0.7327 Intermediate Similarity NPD6963 Approved
0.7327 Intermediate Similarity NPD6964 Approved
0.732 Intermediate Similarity NPD4021 Phase 2
0.7316 Intermediate Similarity NPD2599 Approved
0.7316 Intermediate Similarity NPD2601 Approved
0.7316 Intermediate Similarity NPD2600 Approved
0.731 Intermediate Similarity NPD3395 Approved
0.731 Intermediate Similarity NPD1951 Clinical (unspecified phase)
0.731 Intermediate Similarity NPD3396 Approved
0.7308 Intermediate Similarity NPD7112 Discontinued
0.7306 Intermediate Similarity NPD7729 Clinical (unspecified phase)
0.7302 Intermediate Similarity NPD5670 Approved
0.7297 Intermediate Similarity NPD6230 Discontinued
0.7292 Intermediate Similarity NPD2091 Phase 2
0.7292 Intermediate Similarity NPD5083 Clinical (unspecified phase)
0.7292 Intermediate Similarity NPD2096 Phase 2
0.7291 Intermediate Similarity NPD5530 Phase 1
0.7286 Intermediate Similarity NPD3763 Approved
0.7277 Intermediate Similarity NPD4890 Phase 2
0.7273 Intermediate Similarity NPD2482 Clinical (unspecified phase)
0.7268 Intermediate Similarity NPD1418 Phase 2
0.7263 Intermediate Similarity NPD2172 Phase 1
0.7252 Intermediate Similarity NPD7068 Approved
0.7252 Intermediate Similarity NPD7067 Approved
0.7251 Intermediate Similarity NPD6856 Discontinued
0.7245 Intermediate Similarity NPD2334 Discontinued
0.7244 Intermediate Similarity NPD6244 Phase 3
0.7244 Intermediate Similarity NPD5482 Discontinued
0.7244 Intermediate Similarity NPD6243 Phase 3
0.7243 Intermediate Similarity NPD7603 Discontinued
0.7234 Intermediate Similarity NPD750 Phase 2
0.723 Intermediate Similarity NPD5045 Phase 2
0.7228 Intermediate Similarity NPD3931 Approved
0.7228 Intermediate Similarity NPD3928 Approved
0.7225 Intermediate Similarity NPD3393 Approved
0.7225 Intermediate Similarity NPD3389 Approved
0.7225 Intermediate Similarity NPD3394 Approved
0.7222 Intermediate Similarity NPD6861 Clinical (unspecified phase)
0.7212 Intermediate Similarity NPD5944 Phase 1
0.7212 Intermediate Similarity NPD5945 Phase 1
0.7211 Intermediate Similarity NPD6203 Clinical (unspecified phase)
0.7207 Intermediate Similarity NPD4374 Clinical (unspecified phase)
0.7202 Intermediate Similarity NPD5040 Clinical (unspecified phase)
0.7198 Intermediate Similarity NPD6220 Phase 3
0.7198 Intermediate Similarity NPD3570 Phase 2
0.7196 Intermediate Similarity NPD9690 Approved
0.7196 Intermediate Similarity NPD1258 Discontinued
0.7194 Intermediate Similarity NPD6281 Approved

Structure

External Identifiers

PubChem CID   1832
ChEMBL   CHEMBL7257
ZINC  

Physicochemical Properties

Molecular Weight:  218.14
ALogP:  0.0128
MLogP:  2.56
XLogP:  1.695
# Rotatable Bonds:  7
Polar Surface Area:  28.26
# H-Bond Aceptor:  2
# H-Bond Donor:  1
# Rings:  2
# Heavy Atoms:  16

Download Data

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