Drug Information

Drug ID:  NPD9357
Drug Name:  Ethionamide
Molecular Formula:  C8H10N2S
Canonical SMILES:  CCc1nccc(c1)C(=N)S
Standard InCHI:  InChI=1S/C8H10N2S/c1-2-7-5-6(8(9)11)3-4-10-7/h3-5H,2H2,1H3,(H2,9,11)
Standard InCHIKey:  AEOCXXJPGCBFJA-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD9357

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
Tanimoto coefficient is calculated based on PubChem 881-bit substructure fingerprints.


  Similar Natural Products

High Similarity Level: Tc>=0.85; Intermediate Similarity Level: 0.7 <= Tc < 0.85; Remote Similarity Level: 0.65 <= Tc < 0.7

Similarity Level Similarity Score Natural Product ID
High Similarity 0.8803 NPC27802
High Similarity 0.8629 NPC265605
High Similarity 0.8629 NPC48564
High Similarity 0.8629 NPC182570
High Similarity 0.8571 NPC27740
High Similarity 0.8547 NPC76540
High Similarity 0.8547 NPC231655
High Similarity 0.8504 NPC166424
High Similarity 0.8504 NPC245244
High Similarity 0.8504 NPC146373
Intermediate Similarity 0.8492 NPC46358
Intermediate Similarity 0.8455 NPC297486
Intermediate Similarity 0.8455 NPC240136
Intermediate Similarity 0.8455 NPC471402
Intermediate Similarity 0.8387 NPC91958
Intermediate Similarity 0.8346 NPC290094
Intermediate Similarity 0.8321 NPC282398
Intermediate Similarity 0.8308 NPC89490
Intermediate Similarity 0.8244 NPC475105
Intermediate Similarity 0.8244 NPC329896
Intermediate Similarity 0.8244 NPC475090
Intermediate Similarity 0.824 NPC143603
Intermediate Similarity 0.8197 NPC235843
Intermediate Similarity 0.8154 NPC202957
Intermediate Similarity 0.8154 NPC169625
Intermediate Similarity 0.814 NPC476322
Intermediate Similarity 0.812 NPC256893
Intermediate Similarity 0.8088 NPC314102
Intermediate Similarity 0.8088 NPC251722
Intermediate Similarity 0.8088 NPC84911
Intermediate Similarity 0.8034 NPC83987
Intermediate Similarity 0.8015 NPC261195
Intermediate Similarity 0.8015 NPC96102
Intermediate Similarity 0.8015 NPC29886
Intermediate Similarity 0.7985 NPC471322
Intermediate Similarity 0.7985 NPC82295
Intermediate Similarity 0.7985 NPC101165
Intermediate Similarity 0.7971 NPC32002
Intermediate Similarity 0.7971 NPC73767
Intermediate Similarity 0.7971 NPC110126
Intermediate Similarity 0.7971 NPC316811
Intermediate Similarity 0.7971 NPC315348
Intermediate Similarity 0.7956 NPC105127
Intermediate Similarity 0.7955 NPC471311
Intermediate Similarity 0.7955 NPC471313
Intermediate Similarity 0.7917 NPC470823
Intermediate Similarity 0.7914 NPC469780
Intermediate Similarity 0.7914 NPC469761
Intermediate Similarity 0.7914 NPC469767
Intermediate Similarity 0.7914 NPC469768
Intermediate Similarity 0.7914 NPC469779
Intermediate Similarity 0.7914 NPC469783
Intermediate Similarity 0.7914 NPC469784
Intermediate Similarity 0.7863 NPC213774
Intermediate Similarity 0.7857 NPC469766
Intermediate Similarity 0.7852 NPC324611
Intermediate Similarity 0.7846 NPC329825
Intermediate Similarity 0.784 NPC473901
Intermediate Similarity 0.7836 NPC476131
Intermediate Similarity 0.7832 NPC471957
Intermediate Similarity 0.7832 NPC201380
Intermediate Similarity 0.7832 NPC179787
Intermediate Similarity 0.7826 NPC150259
Intermediate Similarity 0.7817 NPC285731
Intermediate Similarity 0.7801 NPC190296
Intermediate Similarity 0.7795 NPC148140
Intermediate Similarity 0.7786 NPC279081
Intermediate Similarity 0.7778 NPC321911
Intermediate Similarity 0.7778 NPC69914
Intermediate Similarity 0.777 NPC169433
Intermediate Similarity 0.7762 NPC63545
Intermediate Similarity 0.7734 NPC81561
Intermediate Similarity 0.7708 NPC469811
Intermediate Similarity 0.7698 NPC65408
Intermediate Similarity 0.7692 NPC314372
Intermediate Similarity 0.7671 NPC470233
Intermediate Similarity 0.7671 NPC216713
Intermediate Similarity 0.766 NPC230002
Intermediate Similarity 0.7656 NPC476566
Intermediate Similarity 0.7619 NPC200214
Intermediate Similarity 0.7612 NPC476140
Intermediate Similarity 0.7606 NPC476454
Intermediate Similarity 0.7586 NPC470111
Intermediate Similarity 0.7578 NPC84268
Intermediate Similarity 0.7569 NPC467188
Intermediate Similarity 0.7569 NPC86288
Intermediate Similarity 0.7569 NPC159856
Intermediate Similarity 0.7557 NPC215519
Intermediate Similarity 0.7556 NPC306397
Intermediate Similarity 0.7556 NPC212125
Intermediate Similarity 0.7554 NPC198988
Intermediate Similarity 0.7551 NPC70406
Intermediate Similarity 0.7538 NPC54102
Intermediate Similarity 0.7538 NPC162689
Intermediate Similarity 0.7517 NPC476464
Intermediate Similarity 0.7517 NPC143872
Intermediate Similarity 0.7517 NPC288838
Intermediate Similarity 0.75 NPC325252
Intermediate Similarity 0.75 NPC325903
Intermediate Similarity 0.7483 NPC40070
Intermediate Similarity 0.7483 NPC53947
Intermediate Similarity 0.7483 NPC105818
Intermediate Similarity 0.7483 NPC24678
Intermediate Similarity 0.7481 NPC11863
Intermediate Similarity 0.7467 NPC236711
Intermediate Similarity 0.7467 NPC469897
Intermediate Similarity 0.7447 NPC471312
Intermediate Similarity 0.7444 NPC41174
Intermediate Similarity 0.7444 NPC56856
Intermediate Similarity 0.7417 NPC56765
Intermediate Similarity 0.7391 NPC22079
Intermediate Similarity 0.7391 NPC315320
Intermediate Similarity 0.7383 NPC141926
Intermediate Similarity 0.7383 NPC469786
Intermediate Similarity 0.7383 NPC259644
Intermediate Similarity 0.7383 NPC469765
Intermediate Similarity 0.7383 NPC251391
Intermediate Similarity 0.7383 NPC25008
Intermediate Similarity 0.7383 NPC73952
Intermediate Similarity 0.7383 NPC469760
Intermediate Similarity 0.7383 NPC469763
Intermediate Similarity 0.7368 NPC44773
Intermediate Similarity 0.7368 NPC215584
Intermediate Similarity 0.7365 NPC313889
Intermediate Similarity 0.7353 NPC135488
Intermediate Similarity 0.7347 NPC105811
Intermediate Similarity 0.7333 NPC122718
Intermediate Similarity 0.7333 NPC211572
Intermediate Similarity 0.7333 NPC80597
Intermediate Similarity 0.7333 NPC75540
Intermediate Similarity 0.7333 NPC70922
Intermediate Similarity 0.7333 NPC212376
Intermediate Similarity 0.7333 NPC34844
Intermediate Similarity 0.7292 NPC59084
Intermediate Similarity 0.7292 NPC2949
Intermediate Similarity 0.7286 NPC330326
Intermediate Similarity 0.7279 NPC316069
Intermediate Similarity 0.7273 NPC90723
Intermediate Similarity 0.7267 NPC138842
Intermediate Similarity 0.7255 NPC470204
Intermediate Similarity 0.7255 NPC122141
Intermediate Similarity 0.7241 NPC63157
Intermediate Similarity 0.7241 NPC473868
Intermediate Similarity 0.7237 NPC129721
Intermediate Similarity 0.7237 NPC286427
Intermediate Similarity 0.7222 NPC104483
Intermediate Similarity 0.7222 NPC88097
Intermediate Similarity 0.7219 NPC209362
Intermediate Similarity 0.7208 NPC470203
Intermediate Similarity 0.7208 NPC225018
Intermediate Similarity 0.7203 NPC125746
Intermediate Similarity 0.7197 NPC91895
Intermediate Similarity 0.7192 NPC20144
Intermediate Similarity 0.719 NPC206819
Intermediate Similarity 0.719 NPC477591
Intermediate Similarity 0.719 NPC318065
Intermediate Similarity 0.719 NPC41257
Intermediate Similarity 0.7181 NPC123906
Intermediate Similarity 0.7174 NPC278451
Intermediate Similarity 0.7174 NPC165370
Intermediate Similarity 0.7172 NPC115611
Intermediate Similarity 0.7171 NPC469785
Intermediate Similarity 0.7163 NPC322488
Intermediate Similarity 0.7161 NPC317105
Intermediate Similarity 0.7161 NPC478184
Intermediate Similarity 0.7153 NPC104049
Intermediate Similarity 0.7143 NPC471323
Intermediate Similarity 0.7133 NPC473878
Intermediate Similarity 0.7133 NPC218268
Intermediate Similarity 0.7133 NPC328029
Intermediate Similarity 0.7133 NPC29702
Intermediate Similarity 0.7124 NPC193740
Intermediate Similarity 0.7124 NPC167635
Intermediate Similarity 0.7124 NPC469762
Intermediate Similarity 0.7124 NPC216643
Intermediate Similarity 0.7122 NPC313823
Intermediate Similarity 0.7122 NPC471589
Intermediate Similarity 0.7115 NPC274229
Intermediate Similarity 0.7105 NPC477815
Intermediate Similarity 0.7101 NPC250361
Intermediate Similarity 0.7097 NPC282231
Intermediate Similarity 0.7095 NPC470440
Intermediate Similarity 0.7078 NPC80681
Intermediate Similarity 0.7078 NPC92796
Intermediate Similarity 0.7078 NPC135141
Intermediate Similarity 0.7078 NPC293487
Intermediate Similarity 0.7075 NPC477977
Intermediate Similarity 0.7071 NPC473587
Intermediate Similarity 0.7059 NPC51054
Intermediate Similarity 0.7051 NPC311276
Intermediate Similarity 0.7051 NPC478182
Intermediate Similarity 0.7044 NPC82331
Intermediate Similarity 0.7044 NPC201634
Intermediate Similarity 0.7032 NPC279918
Intermediate Similarity 0.7032 NPC131718
Intermediate Similarity 0.7021 NPC475428
Intermediate Similarity 0.702 NPC148592
Intermediate Similarity 0.7 NPC473762
Intermediate Similarity 0.7 NPC100726
Intermediate Similarity 0.7 NPC21605

Drug Structure

External Identifiers

TTD   DAP001141
DrugBank   DB00609
ChEMBL   CHEMBL1441
IUPHAR/BPS  
PharmaGKB   PA164768738
KEGG Drug   D00591
PubChem CID   2761171
ChEBI   4885
CAS Number  536-33-4

Drug Properties

Molecular Weight  166.06
ALogP  0.309
MLogP  2.01
XLogP  2.315
HDA  2
HBD  1
Rotatable Bonds  4
TPSA  75.54
RO5 Violation  0