Drug Information

Drug ID:  NPD9360
Drug Name:  Enprofylline
Molecular Formula:  C8H10N4O2
Canonical SMILES:  CCCn1c(=O)nc(c2c1[nH]cn2)O
Standard InCHI:  InChI=1S/C8H10N4O2/c1-2-3-12-6-5(9-4-10-6)7(13)11-8(12)14/h4H,2-3H2,1H3,(H,9,10)(H,11,13,14)
Standard InCHIKey:  SIQPXVQCUCHWDI-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  TTD; DrugBank

  Structural Similarity Between NPASS Natural Products and NPD9360

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 0.9537 NPC41958
High Similarity 0.8807 NPC119133
High Similarity 0.8796 NPC59314
High Similarity 0.8519 NPC293163
Intermediate Similarity 0.8455 NPC10466
Intermediate Similarity 0.8435 NPC313547
Intermediate Similarity 0.8 NPC320256
Intermediate Similarity 0.7934 NPC327579
Intermediate Similarity 0.7895 NPC476099
Intermediate Similarity 0.7586 NPC476562
Intermediate Similarity 0.748 NPC278549
Intermediate Similarity 0.7414 NPC476561
Intermediate Similarity 0.7368 NPC262926
Intermediate Similarity 0.7313 NPC61198
Intermediate Similarity 0.7257 NPC51000
Intermediate Similarity 0.7222 NPC252603
Intermediate Similarity 0.7177 NPC63433
Intermediate Similarity 0.709 NPC324009
Intermediate Similarity 0.7068 NPC287876
Intermediate Similarity 0.7068 NPC246193
Intermediate Similarity 0.7063 NPC240084
Intermediate Similarity 0.705 NPC186619
Intermediate Similarity 0.704 NPC148385
Intermediate Similarity 0.7037 NPC319221
Intermediate Similarity 0.7 NPC109322
Remote Similarity 0.6992 NPC14330
Remote Similarity 0.6963 NPC57279
Remote Similarity 0.696 NPC199790
Remote Similarity 0.696 NPC327613
Remote Similarity 0.695 NPC318590
Remote Similarity 0.695 NPC211820
Remote Similarity 0.695 NPC251233
Remote Similarity 0.6947 NPC180493
Remote Similarity 0.6901 NPC89147
Remote Similarity 0.6901 NPC177169
Remote Similarity 0.6901 NPC274384
Remote Similarity 0.6901 NPC317746
Remote Similarity 0.6875 NPC158847
Remote Similarity 0.6855 NPC47936
Remote Similarity 0.6853 NPC232408
Remote Similarity 0.6853 NPC64705
Remote Similarity 0.6812 NPC320818
Remote Similarity 0.6716 NPC144223
Remote Similarity 0.6643 NPC8590
Remote Similarity 0.6614 NPC256849
Remote Similarity 0.661 NPC9639
Remote Similarity 0.6596 NPC30326
Remote Similarity 0.6587 NPC4837
Remote Similarity 0.6587 NPC312187
Remote Similarity 0.6567 NPC248007
Remote Similarity 0.656 NPC75131
Remote Similarity 0.6528 NPC315642
Remote Similarity 0.6528 NPC74306
Remote Similarity 0.6484 NPC303899
Remote Similarity 0.6452 NPC18335
Remote Similarity 0.6418 NPC5707
Remote Similarity 0.64 NPC155498
Remote Similarity 0.6358 NPC321052
Remote Similarity 0.6343 NPC139776
Remote Similarity 0.6331 NPC104011
Remote Similarity 0.6325 NPC290449
Remote Similarity 0.6324 NPC15566
Remote Similarity 0.6276 NPC317821
Remote Similarity 0.6242 NPC14590
Remote Similarity 0.624 NPC111132
Remote Similarity 0.6214 NPC243319
Remote Similarity 0.619 NPC476564
Remote Similarity 0.6169 NPC60537
Remote Similarity 0.6165 NPC68938
Remote Similarity 0.6164 NPC185903
Remote Similarity 0.616 NPC273327
Remote Similarity 0.6115 NPC180462
Remote Similarity 0.6096 NPC129756
Remote Similarity 0.608 NPC87981
Remote Similarity 0.608 NPC174114
Remote Similarity 0.6067 NPC189068
Remote Similarity 0.6056 NPC235501
Remote Similarity 0.6054 NPC286696
Remote Similarity 0.6027 NPC33996
Remote Similarity 0.6026 NPC309832
Remote Similarity 0.6026 NPC219313
Remote Similarity 0.6 NPC21448
Remote Similarity 0.6 NPC156461
Remote Similarity 0.6 NPC107374
Remote Similarity 0.5973 NPC229974
Remote Similarity 0.596 NPC164665
Remote Similarity 0.5959 NPC237812
Remote Similarity 0.5959 NPC18223
Remote Similarity 0.5952 NPC187191
Remote Similarity 0.5952 NPC326248
Remote Similarity 0.5948 NPC136349
Remote Similarity 0.5946 NPC209525
Remote Similarity 0.5946 NPC161659
Remote Similarity 0.5926 NPC189314
Remote Similarity 0.5921 NPC269827
Remote Similarity 0.5909 NPC150853
Remote Similarity 0.5886 NPC239737
Remote Similarity 0.5878 NPC210947
Remote Similarity 0.5867 NPC314152
Remote Similarity 0.5855 NPC327477
Remote Similarity 0.5855 NPC197068
Remote Similarity 0.585 NPC314646
Remote Similarity 0.5849 NPC195140
Remote Similarity 0.5833 NPC25465
Remote Similarity 0.5833 NPC328479
Remote Similarity 0.5823 NPC52238
Remote Similarity 0.5811 NPC62151
Remote Similarity 0.5806 NPC326694
Remote Similarity 0.5786 NPC311197
Remote Similarity 0.5786 NPC54320
Remote Similarity 0.5786 NPC313754
Remote Similarity 0.5769 NPC185991
Remote Similarity 0.5769 NPC85689
Remote Similarity 0.5769 NPC211025
Remote Similarity 0.5733 NPC76544
Remote Similarity 0.5733 NPC226184
Remote Similarity 0.5733 NPC167285
Remote Similarity 0.5732 NPC472816
Remote Similarity 0.5732 NPC321814
Remote Similarity 0.5714 NPC126634
Remote Similarity 0.5714 NPC313897
Remote Similarity 0.5696 NPC212551
Remote Similarity 0.5696 NPC302778
Remote Similarity 0.5696 NPC130586
Remote Similarity 0.5696 NPC164952
Remote Similarity 0.5686 NPC174020
Remote Similarity 0.5677 NPC121222
Remote Similarity 0.566 NPC174802
Remote Similarity 0.5638 NPC470141
Remote Similarity 0.5636 NPC325906
Remote Similarity 0.5625 NPC224076
Remote Similarity 0.5616 NPC470138
Remote Similarity 0.5608 NPC327941

Drug Structure

External Identifiers

TTD   DAP001375; DAP000597
DrugBank   DB00824
ChEMBL   CHEMBL279898
IUPHAR/BPS  
PharmaGKB   PA164749350
KEGG Drug   D04006
PubChem CID   1676
ChEBI   126237
CAS Number  41078-02-8

Drug Properties

Molecular Weight  194.08
ALogP  -1.4897
MLogP  1.68
XLogP  0.11
HDA  6
HBD  2
Rotatable Bonds  4
TPSA  81.58
RO5 Violation  0