Natural Product: NPC224764

Natural Product ID:  NPC224764
Common Name:   Potassium;1H-Indol-3-Yl Sulfate
IUPAC Name:   potassium;1H-indol-3-yl sulfate
Synonyms:  
Molecular Formula:   C8H7NO4S.K
Standard InCHIKey:  MDAWATNFDJIBBD-UHFFFAOYSA-M
Standard InCHI:  InChI=1S/C8H7NO4S.K/c10-14(11,12)13-8-5-9-7-4-2-1-3-6(7)8;/h1-5,9H,(H,10,11,12);/q;+1/p-1
Canonical SMILES:  [O-]S(=O)(=O)Oc1c[nH]c2c1cccc2.[K+]
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
NPO13087.1 Pteridium aquilinum var. latiusculum Varieties Dennstaedtiaceae Eukaryota HerDing*
NPO31050 Isatis indigotica Species Brassicaceae Eukaryota HerDing*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified Potency = 1458.1 nM PubChem BioAssay data set
NPT3 Individual Protein Thioredoxin glutathione reductase Schistosoma mansoni Potency = 19952.6 nM PubChem BioAssay data set
NPT56 Individual Protein Beta-lactamase AmpC Escherichia coli K-12 Potency = 10000 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 16360.1 nM PubChem BioAssay data set
NPT64 Individual Protein ATPase family AAA domain-containing protein 5 Homo sapiens Potency 29081 nM PubChem BioAssay data set
NPT5 Individual Protein Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 Homo sapiens Potency 2511.9 nM PubChem BioAssay data set
NPT63 Individual Protein Bromodomain adjacent to zinc finger domain protein 2B Homo sapiens Potency 44668.4 nM PubChem BioAssay data set
NPT64 Individual Protein ATPase family AAA domain-containing protein 5 Homo sapiens Potency 19952.6 nM PubChem BioAssay data set
NPT6 Organism Plasmodium falciparum Plasmodium falciparum Potency 13115.4 nM PubChem BioAssay data set
NPT2866 Individual Protein Replicative DNA helicase Mycobacterium tuberculosis AC50 = 1338 nM PubChem BioAssay data set
NPT2867 Individual Protein Protein RecA Mycobacterium tuberculosis EC50 = 155 nM PubChem BioAssay data set
NPT6 Organism Plasmodium falciparum Plasmodium falciparum Potency 7375.3 nM PubChem BioAssay data set
NPT484 Individual Protein Luciferin 4-monooxygenase Photinus pyralis Potency 11995.5 nM PubChem BioAssay data set
NPT2866 Individual Protein Replicative DNA helicase Mycobacterium tuberculosis AC50 = 5480 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 2238.7 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 NPC224764 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
0.9874 High Similarity NPC42979
0.8639 High Similarity NPC96890
0.8529 High Similarity NPC184964
0.8457 Intermediate Similarity NPC46580
0.8343 Intermediate Similarity NPC314002
0.8333 Intermediate Similarity NPC220765
0.8324 Intermediate Similarity NPC106937
0.8313 Intermediate Similarity NPC131718
0.8286 Intermediate Similarity NPC204717
0.8251 Intermediate Similarity NPC19872
0.8214 Intermediate Similarity NPC102423
0.8192 Intermediate Similarity NPC171171
0.8177 Intermediate Similarity NPC326634
0.8129 Intermediate Similarity NPC473764
0.8129 Intermediate Similarity NPC314940
0.8101 Intermediate Similarity NPC296527
0.8066 Intermediate Similarity NPC99666
0.8056 Intermediate Similarity NPC76748
0.8043 Intermediate Similarity NPC192315
0.8033 Intermediate Similarity NPC13880
0.8033 Intermediate Similarity NPC242209
0.8022 Intermediate Similarity NPC307963
0.8011 Intermediate Similarity NPC92111
0.8 Intermediate Similarity NPC476167
0.7989 Intermediate Similarity NPC156704
0.7967 Intermediate Similarity NPC324149
0.7957 Intermediate Similarity NPC121772
0.7938 Intermediate Similarity NPC288349
0.7935 Intermediate Similarity NPC251090
0.7931 Intermediate Similarity NPC313791
0.7898 Intermediate Similarity NPC82295
0.7892 Intermediate Similarity NPC77555
0.7884 Intermediate Similarity NPC470500
0.7874 Intermediate Similarity NPC252590
0.7866 Intermediate Similarity NPC159856
0.7861 Intermediate Similarity NPC45459
0.7861 Intermediate Similarity NPC315491
0.7838 Intermediate Similarity NPC222018
0.7831 Intermediate Similarity NPC476138
0.7831 Intermediate Similarity NPC245816
0.7824 Intermediate Similarity NPC230869
0.7821 Intermediate Similarity NPC48938
0.7798 Intermediate Similarity NPC469765
0.7798 Intermediate Similarity NPC469786
0.7798 Intermediate Similarity NPC25008
0.7798 Intermediate Similarity NPC469763
0.7798 Intermediate Similarity NPC73952
0.7798 Intermediate Similarity NPC469760
0.7798 Intermediate Similarity NPC259644
0.7796 Intermediate Similarity NPC267928
0.7791 Intermediate Similarity NPC311276
0.7778 Intermediate Similarity NPC279918
0.7778 Intermediate Similarity NPC284678
0.7766 Intermediate Similarity NPC213308
0.7765 Intermediate Similarity NPC469762
0.7755 Intermediate Similarity NPC142901
0.7753 Intermediate Similarity NPC72980
0.7751 Intermediate Similarity NPC80597
0.7751 Intermediate Similarity NPC211572
0.7751 Intermediate Similarity NPC70922
0.7751 Intermediate Similarity NPC212376
0.7751 Intermediate Similarity NPC75540
0.7744 Intermediate Similarity NPC190296
0.7733 Intermediate Similarity NPC282231
0.773 Intermediate Similarity NPC84853
0.7727 Intermediate Similarity NPC474409
0.7725 Intermediate Similarity NPC232727
0.772 Intermediate Similarity NPC185782
0.7706 Intermediate Similarity NPC469785
0.7706 Intermediate Similarity NPC141353
0.7702 Intermediate Similarity NPC29886
0.7702 Intermediate Similarity NPC96102
0.7702 Intermediate Similarity NPC261195
0.7701 Intermediate Similarity NPC160105
0.768 Intermediate Similarity NPC5145
0.7679 Intermediate Similarity NPC24678
0.7679 Intermediate Similarity NPC105818
0.7654 Intermediate Similarity NPC105127
0.7654 Intermediate Similarity NPC84911
0.7651 Intermediate Similarity NPC314372
0.7627 Intermediate Similarity NPC314603
0.7617 Intermediate Similarity NPC183777
0.7617 Intermediate Similarity NPC88008
0.7609 Intermediate Similarity NPC32771
0.7604 Intermediate Similarity NPC285558
0.7602 Intermediate Similarity NPC26679
0.76 Intermediate Similarity NPC474561
0.76 Intermediate Similarity NPC54988
0.76 Intermediate Similarity NPC49954
0.7586 Intermediate Similarity NPC40779
0.7582 Intermediate Similarity NPC84478
0.7579 Intermediate Similarity NPC176538
0.7571 Intermediate Similarity NPC470498
0.7563 Intermediate Similarity NPC476287
0.7561 Intermediate Similarity NPC110126
0.7561 Intermediate Similarity NPC73767
0.756 Intermediate Similarity NPC471957
0.7557 Intermediate Similarity NPC63751
0.7554 Intermediate Similarity NPC278434
0.7525 Intermediate Similarity NPC16352
0.7515 Intermediate Similarity NPC279081
0.7515 Intermediate Similarity NPC469780
0.7515 Intermediate Similarity NPC469767
0.7515 Intermediate Similarity NPC230002
0.7515 Intermediate Similarity NPC469761
0.7515 Intermediate Similarity NPC469783
0.7515 Intermediate Similarity NPC469784
0.7515 Intermediate Similarity NPC469768
0.7515 Intermediate Similarity NPC469779
0.7514 Intermediate Similarity NPC242928
0.7487 Intermediate Similarity NPC171787
0.7487 Intermediate Similarity NPC8022
0.7487 Intermediate Similarity NPC470799
0.747 Intermediate Similarity NPC469766
0.7459 Intermediate Similarity NPC283219
0.7458 Intermediate Similarity NPC78020
0.7435 Intermediate Similarity NPC187558
0.7433 Intermediate Similarity NPC138370
0.7432 Intermediate Similarity NPC212535
0.7432 Intermediate Similarity NPC176127
0.7427 Intermediate Similarity NPC216713
0.7424 Intermediate Similarity NPC128084
0.7424 Intermediate Similarity NPC316981
0.7423 Intermediate Similarity NPC475070
0.7414 Intermediate Similarity NPC92796
0.7414 Intermediate Similarity NPC135141
0.7411 Intermediate Similarity NPC167860
0.7411 Intermediate Similarity NPC123976
0.7403 Intermediate Similarity NPC111275
0.7403 Intermediate Similarity NPC84827
0.7403 Intermediate Similarity NPC145885
0.7403 Intermediate Similarity NPC248454
0.7403 Intermediate Similarity NPC14113
0.7401 Intermediate Similarity NPC49217
0.74 Intermediate Similarity NPC170114
0.7398 Intermediate Similarity NPC287208
0.7398 Intermediate Similarity NPC476465
0.7389 Intermediate Similarity NPC149155
0.7389 Intermediate Similarity NPC203468
0.7389 Intermediate Similarity NPC110500
0.7387 Intermediate Similarity NPC266931
0.7386 Intermediate Similarity NPC194640
0.7385 Intermediate Similarity NPC477113
0.7384 Intermediate Similarity NPC200214
0.738 Intermediate Similarity NPC83111
0.7377 Intermediate Similarity NPC474798
0.7374 Intermediate Similarity NPC246518
0.7371 Intermediate Similarity NPC475774
0.7363 Intermediate Similarity NPC88363
0.7363 Intermediate Similarity NPC126709
0.7363 Intermediate Similarity NPC248041
0.736 Intermediate Similarity NPC201700
0.7356 Intermediate Similarity NPC212742
0.7351 Intermediate Similarity NPC163421
0.7351 Intermediate Similarity NPC188387
0.7351 Intermediate Similarity NPC94943
0.735 Intermediate Similarity NPC470549
0.7348 Intermediate Similarity NPC267885
0.7343 Intermediate Similarity NPC314954
0.7337 Intermediate Similarity NPC469358
0.7337 Intermediate Similarity NPC219087
0.733 Intermediate Similarity NPC177404
0.7327 Intermediate Similarity NPC264285
0.7316 Intermediate Similarity NPC276517
0.731 Intermediate Similarity NPC477111
0.7308 Intermediate Similarity NPC151939
0.7308 Intermediate Similarity NPC59269
0.7306 Intermediate Similarity NPC315957
0.7297 Intermediate Similarity NPC190007
0.7294 Intermediate Similarity NPC143872
0.7294 Intermediate Similarity NPC288838
0.7294 Intermediate Similarity NPC316069
0.7292 Intermediate Similarity NPC306376
0.7288 Intermediate Similarity NPC118511
0.7283 Intermediate Similarity NPC233936
0.7283 Intermediate Similarity NPC71037
0.7283 Intermediate Similarity NPC26872
0.7273 Intermediate Similarity NPC80596
0.7268 Intermediate Similarity NPC55772
0.7268 Intermediate Similarity NPC470501
0.7262 Intermediate Similarity NPC60553
0.7258 Intermediate Similarity NPC15102
0.7254 Intermediate Similarity NPC128823
0.7251 Intermediate Similarity NPC469811
0.7246 Intermediate Similarity NPC319232
0.7246 Intermediate Similarity NPC24370
0.7243 Intermediate Similarity NPC163055
0.7238 Intermediate Similarity NPC469554
0.7238 Intermediate Similarity NPC101543
0.7238 Intermediate Similarity NPC196718
0.7238 Intermediate Similarity NPC102593
0.7236 Intermediate Similarity NPC11464
0.7231 Intermediate Similarity NPC473761
0.7228 Intermediate Similarity NPC477110
0.7225 Intermediate Similarity NPC470823
0.7222 Intermediate Similarity NPC18348
0.722 Intermediate Similarity NPC470502
0.722 Intermediate Similarity NPC473317
0.7219 Intermediate Similarity NPC235684
0.7219 Intermediate Similarity NPC315555

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC224764 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
0.8424 Intermediate Similarity NPD9705 Discontinued
0.8424 Intermediate Similarity NPD112 Approved
0.8324 Intermediate Similarity NPD802 Phase 2
0.8087 Intermediate Similarity NPD7948 Phase 1
0.8022 Intermediate Similarity NPD1038 Approved
0.7923 Intermediate Similarity NPD5575 Clinical (unspecified phase)
0.7923 Intermediate Similarity NPD1304 Clinical (unspecified phase)
0.7895 Intermediate Similarity NPD1392 Approved
0.7886 Intermediate Similarity NPD9690 Approved
0.7861 Intermediate Similarity NPD484 Approved
0.7784 Intermediate Similarity NPD5065 Approved
0.7746 Intermediate Similarity NPD2782 Approved
0.7746 Intermediate Similarity NPD2780 Approved
0.7702 Intermediate Similarity NPD198 Clinical (unspecified phase)
0.7657 Intermediate Similarity NPD2781 Approved
0.7641 Intermediate Similarity NPD5067 Phase 2
0.7641 Intermediate Similarity NPD5066 Phase 2
0.7619 Intermediate Similarity NPD3825 Phase 3
0.7616 Intermediate Similarity NPD604 Clinical (unspecified phase)
0.7614 Intermediate Similarity NPD4184 Clinical (unspecified phase)
0.7586 Intermediate Similarity NPD7603 Discontinued
0.7561 Intermediate Similarity NPD786 Approved
0.7529 Intermediate Similarity NPD9706 Clinical (unspecified phase)
0.7526 Intermediate Similarity NPD1768 Approved
0.7487 Intermediate Similarity NPD5612 Discontinued
0.747 Intermediate Similarity NPD1722 Approved
0.7458 Intermediate Similarity NPD5069 Clinical (unspecified phase)
0.745 Intermediate Similarity NPD7823 Clinical (unspecified phase)
0.7447 Intermediate Similarity NPD9695 Approved
0.7413 Intermediate Similarity NPD8405 Clinical (unspecified phase)
0.7398 Intermediate Similarity NPD2187 Approved
0.7398 Intermediate Similarity NPD2189 Approved
0.7389 Intermediate Similarity NPD482 Approved
0.7348 Intermediate Similarity NPD749 Clinical (unspecified phase)
0.7337 Intermediate Similarity NPD3330 Phase 1
0.7308 Intermediate Similarity NPD2144 Approved
0.7306 Intermediate Similarity NPD1740 Approved
0.7306 Intermediate Similarity NPD1739 Approved
0.7302 Intermediate Similarity NPD9689 Approved
0.7296 Intermediate Similarity NPD3003 Approved
0.7273 Intermediate Similarity NPD1404 Approved
0.7273 Intermediate Similarity NPD1403 Approved
0.7262 Intermediate Similarity NPD1592 Phase 3
0.7243 Intermediate Similarity NPD2094 Phase 2
0.7243 Intermediate Similarity NPD5728 Clinical (unspecified phase)
0.7243 Intermediate Similarity NPD2095 Phase 2
0.7243 Intermediate Similarity NPD2092 Phase 2
0.7234 Intermediate Similarity NPD8110 Clinical (unspecified phase)
0.7228 Intermediate Similarity NPD6595 Phase 3
0.7228 Intermediate Similarity NPD6803 Clinical (unspecified phase)
0.7225 Intermediate Similarity NPD3324 Clinical (unspecified phase)
0.7222 Intermediate Similarity NPD565 Phase 2
0.7222 Intermediate Similarity NPD1325 Approved
0.7222 Intermediate Similarity NPD1326 Approved
0.7219 Intermediate Similarity NPD706 Phase 1
0.7214 Intermediate Similarity NPD1322 Clinical (unspecified phase)
0.7209 Intermediate Similarity NPD3100 Discontinued
0.7209 Intermediate Similarity NPD4374 Clinical (unspecified phase)
0.7207 Intermediate Similarity NPD424 Approved
0.7207 Intermediate Similarity NPD425 Approved
0.7204 Intermediate Similarity NPD2096 Phase 2
0.7204 Intermediate Similarity NPD2091 Phase 2
0.7194 Intermediate Similarity NPD2121 Clinical (unspecified phase)
0.7191 Intermediate Similarity NPD5140 Approved
0.7191 Intermediate Similarity NPD5138 Approved
0.7189 Intermediate Similarity NPD3038 Discontinued
0.7175 Intermediate Similarity NPD9398 Clinical (unspecified phase)
0.7174 Intermediate Similarity NPD4076 Approved
0.7174 Intermediate Similarity NPD4079 Approved
0.7168 Intermediate Similarity NPD2172 Phase 1
0.7165 Intermediate Similarity NPD4548 Discontinued
0.7157 Intermediate Similarity NPD4795 Phase 2
0.7129 Intermediate Similarity NPD2615 Phase 3
0.7129 Intermediate Similarity NPD2616 Phase 3
0.7123 Intermediate Similarity NPD7558 Phase 2
0.7122 Intermediate Similarity NPD3402 Phase 1
0.712 Intermediate Similarity NPD3506 Approved
0.712 Intermediate Similarity NPD6203 Clinical (unspecified phase)
0.712 Intermediate Similarity NPD3505 Approved
0.712 Intermediate Similarity NPD6159 Phase 2
0.7111 Intermediate Similarity NPD2642 Approved
0.7111 Intermediate Similarity NPD2639 Approved
0.7098 Intermediate Similarity NPD3477 Phase 2
0.7098 Intermediate Similarity NPD3478 Clinical (unspecified phase)
0.7094 Intermediate Similarity NPD5903 Approved
0.7094 Intermediate Similarity NPD5902 Approved
0.7092 Intermediate Similarity NPD4511 Phase 1
0.709 Intermediate Similarity NPD1034 Phase 3
0.709 Intermediate Similarity NPD1033 Clinical (unspecified phase)
0.709 Intermediate Similarity NPD8431 Approved
0.7087 Intermediate Similarity NPD6242 Discontinued
0.7085 Intermediate Similarity NPD3930 Clinical (unspecified phase)
0.7077 Intermediate Similarity NPD2175 Phase 3
0.7077 Intermediate Similarity NPD2177 Approved
0.7077 Intermediate Similarity NPD9688 Approved
0.7077 Intermediate Similarity NPD9687 Approved
0.7077 Intermediate Similarity NPD2176 Approved
0.7072 Intermediate Similarity NPD2641 Approved
0.7072 Intermediate Similarity NPD2185 Clinical (unspecified phase)
0.7072 Intermediate Similarity NPD2640 Approved
0.7069 Intermediate Similarity NPD4462 Approved
0.7069 Intermediate Similarity NPD4463 Approved
0.7062 Intermediate Similarity NPD2581 Approved
0.7062 Intermediate Similarity NPD2582 Approved
0.7059 Intermediate Similarity NPD5596 Phase 2
0.7056 Intermediate Similarity NPD3928 Approved
0.7056 Intermediate Similarity NPD3931 Approved
0.7049 Intermediate Similarity NPD750 Phase 2
0.7035 Intermediate Similarity NPD3932 Clinical (unspecified phase)
0.7031 Intermediate Similarity NPD3404 Approved
0.7022 Intermediate Similarity NPD5255 Approved
0.7016 Intermediate Similarity NPD1213 Phase 3
0.7015 Intermediate Similarity NPD2125 Clinical (unspecified phase)
0.7014 Intermediate Similarity NPD5559 Phase 2
0.7005 Intermediate Similarity NPD3178 Discontinued
0.7 Intermediate Similarity NPD863 Approved
0.7 Intermediate Similarity NPD861 Approved
0.7 Intermediate Similarity NPD6141 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD862 Approved
0.699 Remote Similarity NPD3814 Phase 1
0.699 Remote Similarity NPD4118 Clinical (unspecified phase)
0.6989 Remote Similarity NPD2837 Discontinued
0.6985 Remote Similarity NPD3397 Phase 2
0.6984 Remote Similarity NPD6344 Clinical (unspecified phase)
0.6984 Remote Similarity NPD6610 Clinical (unspecified phase)
0.6978 Remote Similarity NPD6872 Clinical (unspecified phase)
0.697 Remote Similarity NPD6975 Discontinued
0.6966 Remote Similarity NPD9383 Approved
0.6966 Remote Similarity NPD9382 Approved
0.6965 Remote Similarity NPD5658 Approved
0.6965 Remote Similarity NPD2509 Approved
0.6965 Remote Similarity NPD2510 Approved
0.6957 Remote Similarity NPD3514 Clinical (unspecified phase)
0.695 Remote Similarity NPD4862 Clinical (unspecified phase)
0.6947 Remote Similarity NPD5256 Discontinued
0.6946 Remote Similarity NPD7470 Discontinued
0.6943 Remote Similarity NPD6569 Phase 2
0.6935 Remote Similarity NPD4071 Approved
0.6935 Remote Similarity NPD4072 Approved
0.6915 Remote Similarity NPD6290 Phase 2
0.6912 Remote Similarity NPD8093 Discontinued
0.6911 Remote Similarity NPD2383 Phase 1
0.6908 Remote Similarity NPD4429 Discontinued
0.6908 Remote Similarity NPD5632 Approved
0.6904 Remote Similarity NPD7621 Clinical (unspecified phase)
0.69 Remote Similarity NPD5901 Discontinued
0.6898 Remote Similarity NPD4454 Phase 2
0.6895 Remote Similarity NPD4889 Approved
0.6895 Remote Similarity NPD7424 Clinical (unspecified phase)
0.6889 Remote Similarity NPD1418 Phase 2
0.6884 Remote Similarity NPD8073 Approved
0.6881 Remote Similarity NPD2921 Clinical (unspecified phase)
0.6875 Remote Similarity NPD3835 Phase 3
0.6875 Remote Similarity NPD3833 Phase 3
0.6872 Remote Similarity NPD4890 Phase 2
0.6868 Remote Similarity NPD926 Approved
0.6868 Remote Similarity NPD925 Approved
0.6857 Remote Similarity NPD4702 Approved
0.6857 Remote Similarity NPD4703 Approved
0.6856 Remote Similarity NPD4372 Phase 1
0.6832 Remote Similarity NPD6838 Clinical (unspecified phase)
0.6827 Remote Similarity NPD6985 Discontinued
0.6823 Remote Similarity NPD5590 Clinical (unspecified phase)
0.682 Remote Similarity NPD3006 Discontinued
0.6818 Remote Similarity NPD5999 Phase 2
0.6816 Remote Similarity NPD8272 Phase 2
0.6816 Remote Similarity NPD31 Approved
0.6816 Remote Similarity NPD4122 Approved
0.6816 Remote Similarity NPD4033 Approved
0.6816 Remote Similarity NPD4039 Approved
0.6816 Remote Similarity NPD4038 Approved
0.6816 Remote Similarity NPD32 Approved
0.6816 Remote Similarity NPD4034 Approved
0.6816 Remote Similarity NPD4036 Approved
0.6816 Remote Similarity NPD4035 Approved
0.6816 Remote Similarity NPD4037 Approved
0.6813 Remote Similarity NPD3323 Discontinued
0.6804 Remote Similarity NPD4699 Discontinued
0.6804 Remote Similarity NPD5912 Clinical (unspecified phase)
0.6804 Remote Similarity NPD5913 Phase 3
0.6804 Remote Similarity NPD459 Clinical (unspecified phase)
0.6802 Remote Similarity NPD1229 Phase 2
0.6802 Remote Similarity NPD6769 Clinical (unspecified phase)
0.6794 Remote Similarity NPD7194 Discontinued
0.6794 Remote Similarity NPD537 Phase 2
0.6794 Remote Similarity NPD534 Phase 2
0.6792 Remote Similarity NPD7586 Clinical (unspecified phase)
0.6791 Remote Similarity NPD2382 Approved
0.6791 Remote Similarity NPD4075 Phase 2
0.6791 Remote Similarity NPD2381 Approved
0.6791 Remote Similarity NPD2380 Approved
0.6789 Remote Similarity NPD2391 Clinical (unspecified phase)
0.6788 Remote Similarity NPD992 Clinical (unspecified phase)
0.6788 Remote Similarity NPD991 Phase 2
0.6786 Remote Similarity NPD3395 Approved
0.6786 Remote Similarity NPD4418 Discontinued
0.6786 Remote Similarity NPD3396 Approved
0.6782 Remote Similarity NPD8403 Phase 1
0.678 Remote Similarity NPD5939 Approved
0.678 Remote Similarity NPD949 Phase 1

Structure

External Identifiers

PubChem CID   5177095
ChEMBL   CHEMBL1452061
ZINC  

Physicochemical Properties

Molecular Weight:  212.00
ALogP:  -1.6073
MLogP:  1.68
XLogP:  0.619
# Rotatable Bonds:  3
Polar Surface Area:  90.6
# H-Bond Aceptor:  4
# H-Bond Donor:  1
# Rings:  2
# Heavy Atoms:  14

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