Drug Information

Drug ID:  NPD9583
Drug Name:  Protionamide
Molecular Formula:  C9H12N2S
Canonical SMILES:  CCCc1cc(ccn1)C(=N)S
Standard InCHI:  InChI=1S/C9H12N2S/c1-2-3-8-6-7(9(10)12)4-5-11-8/h4-6H,2-3H2,1H3,(H2,10,12)
Standard InCHIKey:  VRDIULHPQTYCLN-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD9583

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 0.8661 NPC146373
High Similarity 0.8661 NPC166424
High Similarity 0.8661 NPC245244
High Similarity 0.8655 NPC27802
High Similarity 0.864 NPC265605
High Similarity 0.864 NPC182570
High Similarity 0.864 NPC48564
High Similarity 0.8618 NPC297486
High Similarity 0.8618 NPC471402
High Similarity 0.8618 NPC240136
High Similarity 0.8583 NPC27740
High Similarity 0.8548 NPC91958
High Similarity 0.8504 NPC46358
High Similarity 0.8504 NPC290094
Intermediate Similarity 0.8462 NPC89490
Intermediate Similarity 0.8403 NPC231655
Intermediate Similarity 0.8403 NPC76540
Intermediate Similarity 0.8397 NPC329896
Intermediate Similarity 0.8397 NPC475090
Intermediate Similarity 0.8397 NPC475105
Intermediate Similarity 0.8333 NPC282398
Intermediate Similarity 0.8308 NPC202957
Intermediate Similarity 0.8308 NPC169625
Intermediate Similarity 0.8271 NPC256893
Intermediate Similarity 0.8254 NPC143603
Intermediate Similarity 0.8235 NPC314102
Intermediate Similarity 0.8235 NPC84911
Intermediate Similarity 0.8235 NPC251722
Intermediate Similarity 0.8162 NPC96102
Intermediate Similarity 0.8162 NPC29886
Intermediate Similarity 0.8162 NPC261195
Intermediate Similarity 0.8154 NPC476322
Intermediate Similarity 0.8134 NPC101165
Intermediate Similarity 0.8116 NPC73767
Intermediate Similarity 0.8116 NPC316811
Intermediate Similarity 0.8116 NPC110126
Intermediate Similarity 0.8116 NPC315348
Intermediate Similarity 0.8116 NPC32002
Intermediate Similarity 0.8102 NPC105127
Intermediate Similarity 0.8065 NPC235843
Intermediate Similarity 0.8058 NPC469780
Intermediate Similarity 0.8058 NPC469767
Intermediate Similarity 0.8058 NPC469783
Intermediate Similarity 0.8058 NPC469768
Intermediate Similarity 0.8058 NPC469784
Intermediate Similarity 0.8058 NPC469779
Intermediate Similarity 0.8058 NPC469761
Intermediate Similarity 0.8056 NPC470823
Intermediate Similarity 0.8 NPC82295
Intermediate Similarity 0.8 NPC469766
Intermediate Similarity 0.8 NPC329825
Intermediate Similarity 0.8 NPC471322
Intermediate Similarity 0.7972 NPC201380
Intermediate Similarity 0.7972 NPC471957
Intermediate Similarity 0.7972 NPC179787
Intermediate Similarity 0.7971 NPC150259
Intermediate Similarity 0.797 NPC471311
Intermediate Similarity 0.797 NPC471313
Intermediate Similarity 0.7958 NPC285731
Intermediate Similarity 0.7953 NPC148140
Intermediate Similarity 0.7943 NPC190296
Intermediate Similarity 0.7929 NPC279081
Intermediate Similarity 0.7926 NPC69914
Intermediate Similarity 0.7917 NPC321911
Intermediate Similarity 0.7914 NPC169433
Intermediate Similarity 0.7902 NPC63545
Intermediate Similarity 0.7899 NPC83987
Intermediate Similarity 0.7891 NPC81561
Intermediate Similarity 0.7868 NPC324611
Intermediate Similarity 0.7852 NPC476131
Intermediate Similarity 0.7847 NPC469811
Intermediate Similarity 0.7832 NPC314372
Intermediate Similarity 0.7812 NPC476566
Intermediate Similarity 0.7808 NPC216713
Intermediate Similarity 0.7808 NPC470233
Intermediate Similarity 0.7801 NPC230002
Intermediate Similarity 0.7755 NPC200214
Intermediate Similarity 0.7746 NPC476454
Intermediate Similarity 0.7731 NPC213774
Intermediate Similarity 0.7724 NPC470111
Intermediate Similarity 0.7717 NPC473901
Intermediate Similarity 0.7714 NPC65408
Intermediate Similarity 0.771 NPC215519
Intermediate Similarity 0.7708 NPC159856
Intermediate Similarity 0.7708 NPC86288
Intermediate Similarity 0.7698 NPC198988
Intermediate Similarity 0.7692 NPC54102
Intermediate Similarity 0.7692 NPC162689
Intermediate Similarity 0.7655 NPC143872
Intermediate Similarity 0.7655 NPC288838
Intermediate Similarity 0.7643 NPC325252
Intermediate Similarity 0.7635 NPC325903
Intermediate Similarity 0.763 NPC476140
Intermediate Similarity 0.7619 NPC53947
Intermediate Similarity 0.7619 NPC24678
Intermediate Similarity 0.7619 NPC105818
Intermediate Similarity 0.7619 NPC40070
Intermediate Similarity 0.76 NPC236711
Intermediate Similarity 0.755 NPC56765
Intermediate Similarity 0.7536 NPC22079
Intermediate Similarity 0.7533 NPC476464
Intermediate Similarity 0.7517 NPC259644
Intermediate Similarity 0.7517 NPC141926
Intermediate Similarity 0.7517 NPC25008
Intermediate Similarity 0.7517 NPC73952
Intermediate Similarity 0.7517 NPC469786
Intermediate Similarity 0.7517 NPC469765
Intermediate Similarity 0.7517 NPC469760
Intermediate Similarity 0.7517 NPC469763
Intermediate Similarity 0.75 NPC215584
Intermediate Similarity 0.75 NPC44773
Intermediate Similarity 0.7483 NPC469897
Intermediate Similarity 0.7481 NPC122718
Intermediate Similarity 0.7467 NPC75540
Intermediate Similarity 0.7467 NPC80597
Intermediate Similarity 0.7467 NPC212376
Intermediate Similarity 0.7467 NPC34844
Intermediate Similarity 0.7467 NPC211572
Intermediate Similarity 0.7467 NPC70922
Intermediate Similarity 0.7466 NPC467188
Intermediate Similarity 0.7465 NPC471312
Intermediate Similarity 0.7463 NPC41174
Intermediate Similarity 0.7462 NPC84268
Intermediate Similarity 0.745 NPC70406
Intermediate Similarity 0.7445 NPC306397
Intermediate Similarity 0.7445 NPC212125
Intermediate Similarity 0.7431 NPC2949
Intermediate Similarity 0.7431 NPC59084
Intermediate Similarity 0.7403 NPC90723
Intermediate Similarity 0.74 NPC138842
Intermediate Similarity 0.7386 NPC470204
Intermediate Similarity 0.7386 NPC122141
Intermediate Similarity 0.7379 NPC63157
Intermediate Similarity 0.7379 NPC473868
Intermediate Similarity 0.7368 NPC11863
Intermediate Similarity 0.7368 NPC286427
Intermediate Similarity 0.7368 NPC129721
Intermediate Similarity 0.7361 NPC88097
Intermediate Similarity 0.7361 NPC104483
Intermediate Similarity 0.7338 NPC470203
Intermediate Similarity 0.7338 NPC225018
Intermediate Similarity 0.7333 NPC56856
Intermediate Similarity 0.7329 NPC20144
Intermediate Similarity 0.7325 NPC91895
Intermediate Similarity 0.732 NPC41257
Intermediate Similarity 0.732 NPC206819
Intermediate Similarity 0.732 NPC477591
Intermediate Similarity 0.732 NPC318065
Intermediate Similarity 0.7319 NPC278451
Intermediate Similarity 0.731 NPC115611
Intermediate Similarity 0.7303 NPC469785
Intermediate Similarity 0.7297 NPC316069
Intermediate Similarity 0.729 NPC317105
Intermediate Similarity 0.729 NPC478184
Intermediate Similarity 0.7286 NPC315320
Intermediate Similarity 0.7285 NPC251391
Intermediate Similarity 0.7273 NPC218268
Intermediate Similarity 0.7267 NPC473878
Intermediate Similarity 0.7267 NPC313889
Intermediate Similarity 0.7255 NPC216643
Intermediate Similarity 0.7255 NPC167635
Intermediate Similarity 0.7255 NPC193740
Intermediate Similarity 0.7255 NPC469762
Intermediate Similarity 0.7248 NPC105811
Intermediate Similarity 0.7246 NPC250361
Intermediate Similarity 0.7246 NPC135488
Intermediate Similarity 0.7244 NPC274229
Intermediate Similarity 0.7237 NPC477815
Intermediate Similarity 0.723 NPC470440
Intermediate Similarity 0.7226 NPC282231
Intermediate Similarity 0.7222 NPC125746
Intermediate Similarity 0.7214 NPC473587
Intermediate Similarity 0.7211 NPC477977
Intermediate Similarity 0.7208 NPC135141
Intermediate Similarity 0.7208 NPC293487
Intermediate Similarity 0.7208 NPC80681
Intermediate Similarity 0.7208 NPC92796
Intermediate Similarity 0.719 NPC51054
Intermediate Similarity 0.7183 NPC330326
Intermediate Similarity 0.7179 NPC478182
Intermediate Similarity 0.7179 NPC311276
Intermediate Similarity 0.717 NPC201634
Intermediate Similarity 0.717 NPC82331
Intermediate Similarity 0.7163 NPC475428
Intermediate Similarity 0.7162 NPC471323
Intermediate Similarity 0.7161 NPC279918
Intermediate Similarity 0.7161 NPC131718
Intermediate Similarity 0.7152 NPC148592
Intermediate Similarity 0.7143 NPC473762
Intermediate Similarity 0.7133 NPC21605
Intermediate Similarity 0.7133 NPC477974
Intermediate Similarity 0.7124 NPC209362
Intermediate Similarity 0.7114 NPC204141
Intermediate Similarity 0.7113 NPC179365
Intermediate Similarity 0.7113 NPC475450
Intermediate Similarity 0.7107 NPC97343
Intermediate Similarity 0.7099 NPC248454
Intermediate Similarity 0.7097 NPC230869
Intermediate Similarity 0.7089 NPC160105
Intermediate Similarity 0.7089 NPC49954

Drug Structure

External Identifiers

TTD   DAP001142
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID   666418
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  180.07
ALogP  0.5646
MLogP  2.12
XLogP  2.884
HDA  2
HBD  1
Rotatable Bonds  5
TPSA  75.54
RO5 Violation  0