Natural Product: NPC42979

Natural Product ID:  NPC42979
Common Name:   Indoxyl Sulfate
IUPAC Name:   1H-indol-3-yl hydrogen sulfate
Synonyms:  
Molecular Formula:   C8H7NO4S
Standard InCHIKey:  BXFFHSIDQOFMLE-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C8H7NO4S/c10-14(11,12)13-8-5-9-7-4-2-1-3-6(7)8/h1-5,9H,(H,10,11,12)
Canonical SMILES:  OS(=O)(=O)Oc1c[nH]c2c1cccc2
First Find Year:  
Max Developmental Stage:  
Synthetic Gene Cluster:   ;

  Species Source

Organism ID Organism Name Taxonomy Level Family SuperKingdom Isolation Part Collection Location Collection Time Reference
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.
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 PMID[10681668]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT669 Individual Protein Solute carrier family 22 member 8 Homo sapiens Ki = 169000 nM 12679137
NPT1472 Individual Protein Solute carrier family 22 member 11 Homo sapiens Ki = 181000 nM 12679137
NPT665 Individual Protein Solute carrier family 22 member 6 Homo sapiens Ki = 23000 nM 12679137
NPT877 Individual Protein Solute carrier family 22 member 8 Mus musculus Activity = 21.9 % 14762099
NPT665 Individual Protein Solute carrier family 22 member 6 Homo sapiens IC50 = 83000 nM 11815391
NPT669 Individual Protein Solute carrier family 22 member 8 Homo sapiens Ki = 168700 nM 12679137
NPT1472 Individual Protein Solute carrier family 22 member 11 Homo sapiens Ki = 181300 nM 12679137
NPT665 Individual Protein Solute carrier family 22 member 6 Homo sapiens Ki = 22700 nM 12679137

  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 NPC42979 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 NPC224764
0.8647 High Similarity NPC96890
0.8538 High Similarity NPC184964
0.8466 Intermediate Similarity NPC46580
0.8352 Intermediate Similarity NPC314002
0.8343 Intermediate Similarity NPC220765
0.8333 Intermediate Similarity NPC106937
0.8323 Intermediate Similarity NPC131718
0.8295 Intermediate Similarity NPC204717
0.8225 Intermediate Similarity NPC102423
0.8202 Intermediate Similarity NPC171171
0.8187 Intermediate Similarity NPC326634
0.8162 Intermediate Similarity NPC19872
0.814 Intermediate Similarity NPC314940
0.814 Intermediate Similarity NPC473764
0.8077 Intermediate Similarity NPC99666
0.8054 Intermediate Similarity NPC192315
0.8043 Intermediate Similarity NPC242209
0.8033 Intermediate Similarity NPC307963
0.8011 Intermediate Similarity NPC476167
0.8011 Intermediate Similarity NPC296527
0.8 Intermediate Similarity NPC156704
0.7978 Intermediate Similarity NPC324149
0.7967 Intermediate Similarity NPC76748
0.7949 Intermediate Similarity NPC288349
0.7946 Intermediate Similarity NPC13880
0.7946 Intermediate Similarity NPC251090
0.7943 Intermediate Similarity NPC313791
0.7923 Intermediate Similarity NPC92111
0.7903 Intermediate Similarity NPC77555
0.7895 Intermediate Similarity NPC470500
0.7886 Intermediate Similarity NPC252590
0.7879 Intermediate Similarity NPC159856
0.7872 Intermediate Similarity NPC121772
0.7872 Intermediate Similarity NPC315491
0.7872 Intermediate Similarity NPC45459
0.7849 Intermediate Similarity NPC222018
0.7836 Intermediate Similarity NPC230869
0.7833 Intermediate Similarity NPC48938
0.7811 Intermediate Similarity NPC259644
0.7811 Intermediate Similarity NPC469760
0.7811 Intermediate Similarity NPC469763
0.7811 Intermediate Similarity NPC73952
0.7811 Intermediate Similarity NPC469765
0.7811 Intermediate Similarity NPC25008
0.7811 Intermediate Similarity NPC469786
0.7803 Intermediate Similarity NPC311276
0.7799 Intermediate Similarity NPC82295
0.7791 Intermediate Similarity NPC279918
0.7778 Intermediate Similarity NPC213308
0.7778 Intermediate Similarity NPC469762
0.7766 Intermediate Similarity NPC142901
0.7765 Intermediate Similarity NPC80597
0.7765 Intermediate Similarity NPC70922
0.7765 Intermediate Similarity NPC211572
0.7765 Intermediate Similarity NPC212376
0.7765 Intermediate Similarity NPC72980
0.7765 Intermediate Similarity NPC75540
0.7758 Intermediate Similarity NPC190296
0.7749 Intermediate Similarity NPC476138
0.7749 Intermediate Similarity NPC245816
0.7746 Intermediate Similarity NPC282231
0.774 Intermediate Similarity NPC474409
0.7719 Intermediate Similarity NPC469785
0.7719 Intermediate Similarity NPC141353
0.7714 Intermediate Similarity NPC160105
0.7713 Intermediate Similarity NPC267928
0.7692 Intermediate Similarity NPC5145
0.7692 Intermediate Similarity NPC284678
0.7692 Intermediate Similarity NPC105818
0.7692 Intermediate Similarity NPC24678
0.7665 Intermediate Similarity NPC314372
0.7647 Intermediate Similarity NPC84853
0.7644 Intermediate Similarity NPC232727
0.7641 Intermediate Similarity NPC185782
0.764 Intermediate Similarity NPC314603
0.7629 Intermediate Similarity NPC183777
0.7629 Intermediate Similarity NPC88008
0.7624 Intermediate Similarity NPC16352
0.7622 Intermediate Similarity NPC32771
0.7614 Intermediate Similarity NPC49954
0.7614 Intermediate Similarity NPC54988
0.7614 Intermediate Similarity NPC474561
0.7607 Intermediate Similarity NPC261195
0.7607 Intermediate Similarity NPC96102
0.7607 Intermediate Similarity NPC29886
0.76 Intermediate Similarity NPC40779
0.7584 Intermediate Similarity NPC470498
0.7574 Intermediate Similarity NPC471957
0.7571 Intermediate Similarity NPC63751
0.7568 Intermediate Similarity NPC278434
0.7561 Intermediate Similarity NPC84911
0.7561 Intermediate Similarity NPC105127
0.7526 Intermediate Similarity NPC285558
0.7525 Intermediate Similarity NPC26679
0.75 Intermediate Similarity NPC84478
0.75 Intermediate Similarity NPC176538
0.75 Intermediate Similarity NPC8022
0.75 Intermediate Similarity NPC470799
0.75 Intermediate Similarity NPC171787
0.7487 Intermediate Similarity NPC476287
0.7473 Intermediate Similarity NPC283219
0.7472 Intermediate Similarity NPC78020
0.747 Intermediate Similarity NPC110126
0.747 Intermediate Similarity NPC73767
0.7446 Intermediate Similarity NPC212535
0.7442 Intermediate Similarity NPC216713
0.7437 Intermediate Similarity NPC128084
0.7437 Intermediate Similarity NPC316981
0.7436 Intermediate Similarity NPC475070
0.7433 Intermediate Similarity NPC242928
0.7429 Intermediate Similarity NPC92796
0.7429 Intermediate Similarity NPC135141
0.7425 Intermediate Similarity NPC469780
0.7425 Intermediate Similarity NPC469761
0.7425 Intermediate Similarity NPC469768
0.7425 Intermediate Similarity NPC469783
0.7425 Intermediate Similarity NPC469784
0.7425 Intermediate Similarity NPC279081
0.7425 Intermediate Similarity NPC469779
0.7425 Intermediate Similarity NPC469767
0.7425 Intermediate Similarity NPC230002
0.7418 Intermediate Similarity NPC248454
0.7418 Intermediate Similarity NPC111275
0.7416 Intermediate Similarity NPC49217
0.7403 Intermediate Similarity NPC110500
0.7403 Intermediate Similarity NPC149155
0.7403 Intermediate Similarity NPC203468
0.7401 Intermediate Similarity NPC194640
0.74 Intermediate Similarity NPC266931
0.7398 Intermediate Similarity NPC477113
0.7394 Intermediate Similarity NPC83111
0.7387 Intermediate Similarity NPC246518
0.7385 Intermediate Similarity NPC475774
0.7381 Intermediate Similarity NPC469766
0.7377 Intermediate Similarity NPC88363
0.7377 Intermediate Similarity NPC126709
0.7377 Intermediate Similarity NPC248041
0.7374 Intermediate Similarity NPC201700
0.7371 Intermediate Similarity NPC212742
0.7366 Intermediate Similarity NPC188387
0.7366 Intermediate Similarity NPC94943
0.7366 Intermediate Similarity NPC163421
0.7363 Intermediate Similarity NPC267885
0.7358 Intermediate Similarity NPC187558
0.7354 Intermediate Similarity NPC138370
0.7351 Intermediate Similarity NPC176127
0.7351 Intermediate Similarity NPC469358
0.735 Intermediate Similarity NPC219087
0.7345 Intermediate Similarity NPC177404
0.734 Intermediate Similarity NPC264285
0.7337 Intermediate Similarity NPC167860
0.7337 Intermediate Similarity NPC123976
0.733 Intermediate Similarity NPC276517
0.7327 Intermediate Similarity NPC170114
0.7323 Intermediate Similarity NPC477111
0.7323 Intermediate Similarity NPC476465
0.7323 Intermediate Similarity NPC287208
0.7322 Intermediate Similarity NPC145885
0.7322 Intermediate Similarity NPC84827
0.7322 Intermediate Similarity NPC59269
0.7322 Intermediate Similarity NPC14113
0.7322 Intermediate Similarity NPC151939
0.7312 Intermediate Similarity NPC190007
0.7306 Intermediate Similarity NPC306376
0.7299 Intermediate Similarity NPC200214
0.7297 Intermediate Similarity NPC474798
0.7297 Intermediate Similarity NPC233936
0.7297 Intermediate Similarity NPC71037
0.7286 Intermediate Similarity NPC80596
0.7283 Intermediate Similarity NPC55772
0.7282 Intermediate Similarity NPC470501
0.7278 Intermediate Similarity NPC60553
0.7277 Intermediate Similarity NPC470549
0.7273 Intermediate Similarity NPC15102
0.7273 Intermediate Similarity NPC314954
0.7268 Intermediate Similarity NPC128823
0.726 Intermediate Similarity NPC319232
0.726 Intermediate Similarity NPC24370
0.7258 Intermediate Similarity NPC163055
0.725 Intermediate Similarity NPC11464
0.7241 Intermediate Similarity NPC477110
0.7236 Intermediate Similarity NPC18348
0.7234 Intermediate Similarity NPC235684
0.7234 Intermediate Similarity NPC315555
0.7233 Intermediate Similarity NPC470502
0.7233 Intermediate Similarity NPC473317
0.7231 Intermediate Similarity NPC470497
0.7231 Intermediate Similarity NPC315957
0.7228 Intermediate Similarity NPC477610
0.722 Intermediate Similarity NPC213530
0.722 Intermediate Similarity NPC193267
0.722 Intermediate Similarity NPC74360
0.7216 Intermediate Similarity NPC470499
0.7209 Intermediate Similarity NPC143872
0.7209 Intermediate Similarity NPC288838
0.7209 Intermediate Similarity NPC220523
0.7209 Intermediate Similarity NPC316069
0.7208 Intermediate Similarity NPC476098
0.7207 Intermediate Similarity NPC476118

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC42979 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
0.8333 Intermediate Similarity NPD802 Phase 2
0.8323 Intermediate Similarity NPD9705 Discontinued
0.8323 Intermediate Similarity NPD112 Approved
0.8098 Intermediate Similarity NPD7948 Phase 1
0.8033 Intermediate Similarity NPD1038 Approved
0.7935 Intermediate Similarity NPD5575 Clinical (unspecified phase)
0.7906 Intermediate Similarity NPD1392 Approved
0.7898 Intermediate Similarity NPD9690 Approved
0.7872 Intermediate Similarity NPD484 Approved
0.7838 Intermediate Similarity NPD1304 Clinical (unspecified phase)
0.7797 Intermediate Similarity NPD5065 Approved
0.7771 Intermediate Similarity NPD2781 Approved
0.7657 Intermediate Similarity NPD2782 Approved
0.7657 Intermediate Similarity NPD2780 Approved
0.7653 Intermediate Similarity NPD5067 Phase 2
0.7653 Intermediate Similarity NPD5066 Phase 2
0.763 Intermediate Similarity NPD604 Clinical (unspecified phase)
0.7627 Intermediate Similarity NPD4184 Clinical (unspecified phase)
0.7607 Intermediate Similarity NPD198 Clinical (unspecified phase)
0.7598 Intermediate Similarity NPD7603 Discontinued
0.7544 Intermediate Similarity NPD9706 Clinical (unspecified phase)
0.7539 Intermediate Similarity NPD1768 Approved
0.7539 Intermediate Similarity NPD3825 Phase 3
0.75 Intermediate Similarity NPD5612 Discontinued
0.7472 Intermediate Similarity NPD5069 Clinical (unspecified phase)
0.747 Intermediate Similarity NPD786 Approved
0.7463 Intermediate Similarity NPD7823 Clinical (unspecified phase)
0.746 Intermediate Similarity NPD9695 Approved
0.7426 Intermediate Similarity NPD8405 Clinical (unspecified phase)
0.7403 Intermediate Similarity NPD482 Approved
0.7381 Intermediate Similarity NPD1722 Approved
0.7363 Intermediate Similarity NPD749 Clinical (unspecified phase)
0.735 Intermediate Similarity NPD3330 Phase 1
0.7323 Intermediate Similarity NPD2189 Approved
0.7323 Intermediate Similarity NPD2187 Approved
0.7322 Intermediate Similarity NPD2144 Approved
0.7316 Intermediate Similarity NPD9689 Approved
0.731 Intermediate Similarity NPD3003 Approved
0.7278 Intermediate Similarity NPD1592 Phase 3
0.7258 Intermediate Similarity NPD2094 Phase 2
0.7258 Intermediate Similarity NPD5728 Clinical (unspecified phase)
0.7258 Intermediate Similarity NPD2092 Phase 2
0.7258 Intermediate Similarity NPD2095 Phase 2
0.7249 Intermediate Similarity NPD8110 Clinical (unspecified phase)
0.7243 Intermediate Similarity NPD6595 Phase 3
0.7241 Intermediate Similarity NPD6803 Clinical (unspecified phase)
0.7238 Intermediate Similarity NPD1325 Approved
0.7238 Intermediate Similarity NPD1326 Approved
0.7234 Intermediate Similarity NPD706 Phase 1
0.7231 Intermediate Similarity NPD1740 Approved
0.7231 Intermediate Similarity NPD1739 Approved
0.7228 Intermediate Similarity NPD1322 Clinical (unspecified phase)
0.7222 Intermediate Similarity NPD425 Approved
0.7222 Intermediate Similarity NPD424 Approved
0.7219 Intermediate Similarity NPD2096 Phase 2
0.7219 Intermediate Similarity NPD2091 Phase 2
0.7207 Intermediate Similarity NPD5140 Approved
0.7207 Intermediate Similarity NPD5138 Approved
0.7204 Intermediate Similarity NPD3038 Discontinued
0.7191 Intermediate Similarity NPD1404 Approved
0.7191 Intermediate Similarity NPD9398 Clinical (unspecified phase)
0.7191 Intermediate Similarity NPD1403 Approved
0.7189 Intermediate Similarity NPD4076 Approved
0.7189 Intermediate Similarity NPD4079 Approved
0.715 Intermediate Similarity NPD3324 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD565 Phase 2
0.7143 Intermediate Similarity NPD2616 Phase 3
0.7143 Intermediate Similarity NPD2615 Phase 3
0.7136 Intermediate Similarity NPD7558 Phase 2
0.7135 Intermediate Similarity NPD6159 Phase 2
0.7135 Intermediate Similarity NPD6203 Clinical (unspecified phase)
0.7135 Intermediate Similarity NPD3506 Approved
0.7135 Intermediate Similarity NPD3505 Approved
0.7126 Intermediate Similarity NPD4374 Clinical (unspecified phase)
0.7126 Intermediate Similarity NPD3100 Discontinued
0.7121 Intermediate Similarity NPD2121 Clinical (unspecified phase)
0.7108 Intermediate Similarity NPD5903 Approved
0.7108 Intermediate Similarity NPD5902 Approved
0.7107 Intermediate Similarity NPD4511 Phase 1
0.7105 Intermediate Similarity NPD8431 Approved
0.71 Intermediate Similarity NPD3930 Clinical (unspecified phase)
0.7092 Intermediate Similarity NPD2175 Phase 3
0.7092 Intermediate Similarity NPD9687 Approved
0.7092 Intermediate Similarity NPD9688 Approved
0.7092 Intermediate Similarity NPD2176 Approved
0.7092 Intermediate Similarity NPD2177 Approved
0.7092 Intermediate Similarity NPD4548 Discontinued
0.7086 Intermediate Similarity NPD4462 Approved
0.7086 Intermediate Similarity NPD2172 Phase 1
0.7086 Intermediate Similarity NPD4463 Approved
0.7085 Intermediate Similarity NPD4795 Phase 2
0.7074 Intermediate Similarity NPD5596 Phase 2
0.7071 Intermediate Similarity NPD3928 Approved
0.7071 Intermediate Similarity NPD3931 Approved
0.7065 Intermediate Similarity NPD750 Phase 2
0.7053 Intermediate Similarity NPD3402 Phase 1
0.705 Intermediate Similarity NPD3932 Clinical (unspecified phase)
0.7047 Intermediate Similarity NPD3404 Approved
0.7039 Intermediate Similarity NPD5255 Approved
0.7033 Intermediate Similarity NPD2639 Approved
0.7033 Intermediate Similarity NPD2642 Approved
0.7031 Intermediate Similarity NPD1213 Phase 3
0.7026 Intermediate Similarity NPD3477 Phase 2
0.7026 Intermediate Similarity NPD3478 Clinical (unspecified phase)
0.7021 Intermediate Similarity NPD3178 Discontinued
0.7019 Intermediate Similarity NPD6242 Discontinued
0.7017 Intermediate Similarity NPD862 Approved
0.7017 Intermediate Similarity NPD863 Approved
0.7017 Intermediate Similarity NPD861 Approved
0.7016 Intermediate Similarity NPD1034 Phase 3
0.7016 Intermediate Similarity NPD1033 Clinical (unspecified phase)
0.7016 Intermediate Similarity NPD6141 Clinical (unspecified phase)
0.7005 Intermediate Similarity NPD3814 Phase 1
0.7 Intermediate Similarity NPD6610 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD6344 Clinical (unspecified phase)
0.6995 Remote Similarity NPD2185 Clinical (unspecified phase)
0.6995 Remote Similarity NPD2640 Approved
0.6995 Remote Similarity NPD6872 Clinical (unspecified phase)
0.6995 Remote Similarity NPD2641 Approved
0.6985 Remote Similarity NPD6975 Discontinued
0.6983 Remote Similarity NPD9383 Approved
0.6983 Remote Similarity NPD2581 Approved
0.6983 Remote Similarity NPD2582 Approved
0.6983 Remote Similarity NPD9382 Approved
0.6965 Remote Similarity NPD4862 Clinical (unspecified phase)
0.6961 Remote Similarity NPD7470 Discontinued
0.6959 Remote Similarity NPD6569 Phase 2
0.6948 Remote Similarity NPD5559 Phase 2
0.6946 Remote Similarity NPD2125 Clinical (unspecified phase)
0.6931 Remote Similarity NPD6290 Phase 2
0.6927 Remote Similarity NPD8093 Discontinued
0.6927 Remote Similarity NPD2383 Phase 1
0.6919 Remote Similarity NPD4118 Clinical (unspecified phase)
0.6919 Remote Similarity NPD7621 Clinical (unspecified phase)
0.6915 Remote Similarity NPD3397 Phase 2
0.6915 Remote Similarity NPD5901 Discontinued
0.6912 Remote Similarity NPD4454 Phase 2
0.691 Remote Similarity NPD2837 Discontinued
0.69 Remote Similarity NPD8073 Approved
0.6897 Remote Similarity NPD5658 Approved
0.6897 Remote Similarity NPD2509 Approved
0.6897 Remote Similarity NPD2510 Approved
0.689 Remote Similarity NPD3514 Clinical (unspecified phase)
0.6887 Remote Similarity NPD4890 Phase 2
0.6885 Remote Similarity NPD926 Approved
0.6885 Remote Similarity NPD925 Approved
0.6875 Remote Similarity NPD4703 Approved
0.6875 Remote Similarity NPD4702 Approved
0.6875 Remote Similarity NPD5256 Discontinued
0.6862 Remote Similarity NPD4071 Approved
0.6862 Remote Similarity NPD4072 Approved
0.6847 Remote Similarity NPD6838 Clinical (unspecified phase)
0.6842 Remote Similarity NPD6985 Discontinued
0.6842 Remote Similarity NPD4429 Discontinued
0.6842 Remote Similarity NPD5632 Approved
0.6834 Remote Similarity NPD5999 Phase 2
0.6832 Remote Similarity NPD8272 Phase 2
0.6832 Remote Similarity NPD31 Approved
0.6832 Remote Similarity NPD4033 Approved
0.6832 Remote Similarity NPD32 Approved
0.6832 Remote Similarity NPD4039 Approved
0.6832 Remote Similarity NPD4122 Approved
0.6832 Remote Similarity NPD4036 Approved
0.6832 Remote Similarity NPD4037 Approved
0.6832 Remote Similarity NPD4038 Approved
0.6832 Remote Similarity NPD4034 Approved
0.6832 Remote Similarity NPD4035 Approved
0.6823 Remote Similarity NPD4889 Approved
0.6823 Remote Similarity NPD7424 Clinical (unspecified phase)
0.6821 Remote Similarity NPD4699 Discontinued
0.6821 Remote Similarity NPD459 Clinical (unspecified phase)
0.6818 Remote Similarity NPD2921 Clinical (unspecified phase)
0.6818 Remote Similarity NPD1229 Phase 2
0.6813 Remote Similarity NPD1418 Phase 2
0.681 Remote Similarity NPD537 Phase 2
0.681 Remote Similarity NPD534 Phase 2
0.681 Remote Similarity NPD7194 Discontinued
0.6809 Remote Similarity NPD2381 Approved
0.6809 Remote Similarity NPD2382 Approved
0.6809 Remote Similarity NPD2380 Approved
0.6808 Remote Similarity NPD7586 Clinical (unspecified phase)
0.6806 Remote Similarity NPD2391 Clinical (unspecified phase)
0.6802 Remote Similarity NPD3395 Approved
0.6802 Remote Similarity NPD3396 Approved
0.6798 Remote Similarity NPD3835 Phase 3
0.6798 Remote Similarity NPD3833 Phase 3
0.6796 Remote Similarity NPD4671 Clinical (unspecified phase)
0.6796 Remote Similarity NPD4669 Clinical (unspecified phase)
0.6796 Remote Similarity NPD5936 Approved
0.6796 Remote Similarity NPD4502 Phase 2
0.6796 Remote Similarity NPD949 Phase 1
0.6796 Remote Similarity NPD4670 Clinical (unspecified phase)
0.6796 Remote Similarity NPD5939 Approved
0.6789 Remote Similarity NPD6452 Discontinued
0.6786 Remote Similarity NPD4372 Phase 1
0.6782 Remote Similarity NPD8072 Approved
0.678 Remote Similarity NPD1661 Suspended
0.6776 Remote Similarity NPD972 Clinical (unspecified phase)
0.6768 Remote Similarity NPD6449 Clinical (unspecified phase)
0.6762 Remote Similarity NPD3354 Phase 2

Structure

External Identifiers

PubChem CID   10258
ChEMBL   CHEMBL1233636
ZINC  

Physicochemical Properties

Molecular Weight:  213.01
ALogP:  -0.9295
MLogP:  1.68
XLogP:  0.619
# Rotatable Bonds:  3
Polar Surface Area:  87.77
# H-Bond Aceptor:  4
# H-Bond Donor:  2
# Rings:  2
# Heavy Atoms:  14

Download Data

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