Drug Information

Drug ID:  NPD9577
Drug Name:  Pidotimod
Molecular Formula:  C9H12N2O4S
Canonical SMILES:  OC(=O)[C@@H]1CSCN1C(=O)[C@@H]1CCC(=N1)O
Standard InCHI:  InChI=1S/C9H12N2O4S/c12-7-2-1-5(10-7)8(13)11-4-16-3-6(11)9(14)15/h5-6H,1-4H2,(H,10,12)(H,14,15)/t5-,6-/m0/s1
Standard InCHIKey:  UUTKICFRNVKFRG-WDSKDSINSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  TTD; DrugBank

  Structural Similarity Between NPASS Natural Products and NPD9577

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
Intermediate Similarity 0.7711 NPC59867
Intermediate Similarity 0.7553 NPC117829
Intermediate Similarity 0.7356 NPC475542
Remote Similarity 0.6914 NPC287693
Remote Similarity 0.6914 NPC84182
Remote Similarity 0.6914 NPC128005
Remote Similarity 0.6867 NPC322274
Remote Similarity 0.675 NPC243964
Remote Similarity 0.6744 NPC161774
Remote Similarity 0.6744 NPC320221
Remote Similarity 0.6744 NPC256312
Remote Similarity 0.6744 NPC209156
Remote Similarity 0.6744 NPC266888
Remote Similarity 0.6706 NPC196007
Remote Similarity 0.6706 NPC76297
Remote Similarity 0.6706 NPC214532
Remote Similarity 0.66 NPC144780
Remote Similarity 0.6556 NPC312315
Remote Similarity 0.6512 NPC470781
Remote Similarity 0.6477 NPC327272
Remote Similarity 0.6429 NPC474576
Remote Similarity 0.6404 NPC470782
Remote Similarity 0.6364 NPC173763
Remote Similarity 0.6364 NPC471098
Remote Similarity 0.6364 NPC62263
Remote Similarity 0.6364 NPC126186
Remote Similarity 0.6344 NPC53858
Remote Similarity 0.6344 NPC84128
Remote Similarity 0.6327 NPC474593
Remote Similarity 0.6327 NPC475801
Remote Similarity 0.6311 NPC475440
Remote Similarity 0.6289 NPC473495
Remote Similarity 0.6265 NPC289691
Remote Similarity 0.6237 NPC470783
Remote Similarity 0.6196 NPC31756
Remote Similarity 0.619 NPC174304
Remote Similarity 0.619 NPC325597
Remote Similarity 0.6129 NPC476117
Remote Similarity 0.6129 NPC476137
Remote Similarity 0.6129 NPC476243
Remote Similarity 0.6129 NPC476156
Remote Similarity 0.6117 NPC473597
Remote Similarity 0.61 NPC477538
Remote Similarity 0.6064 NPC476302
Remote Similarity 0.6 NPC296143
Remote Similarity 0.5977 NPC319046
Remote Similarity 0.5918 NPC477539
Remote Similarity 0.5913 NPC288109
Remote Similarity 0.5909 NPC126779
Remote Similarity 0.5897 NPC19576
Remote Similarity 0.5897 NPC29950
Remote Similarity 0.5889 NPC29326
Remote Similarity 0.5882 NPC57420
Remote Similarity 0.5876 NPC199072
Remote Similarity 0.5872 NPC323720
Remote Similarity 0.5833 NPC475149
Remote Similarity 0.5833 NPC471097
Remote Similarity 0.5823 NPC8488
Remote Similarity 0.5823 NPC333075
Remote Similarity 0.5823 NPC274499
Remote Similarity 0.5818 NPC475637
Remote Similarity 0.5794 NPC475791
Remote Similarity 0.5794 NPC13175
Remote Similarity 0.5769 NPC327239
Remote Similarity 0.5743 NPC193386
Remote Similarity 0.5743 NPC275715
Remote Similarity 0.5714 NPC315897
Remote Similarity 0.5714 NPC321419
Remote Similarity 0.5701 NPC220234
Remote Similarity 0.5701 NPC475758
Remote Similarity 0.5679 NPC322573
Remote Similarity 0.5663 NPC11433
Remote Similarity 0.5663 NPC245346
Remote Similarity 0.5663 NPC302003
Remote Similarity 0.5652 NPC477862
Remote Similarity 0.5641 NPC473819
Remote Similarity 0.5632 NPC160661
Remote Similarity 0.561 NPC325985

Drug Structure

External Identifiers

TTD   DIB003036
DrugBank   DB11364
ChEMBL   CHEMBL1488165
IUPHAR/BPS  
PharmaGKB  
KEGG Drug   D07261
PubChem CID  
ChEBI   94618
CAS Number  121808-62-6

Drug Properties

Molecular Weight  244.05
ALogP  -0.9159
MLogP  1.68
XLogP  -0.827
HDA  6
HBD  2
Rotatable Bonds  5
TPSA  115.5
RO5 Violation  0