Drug Information

Drug ID:  NPD1567
Drug Name:  
Molecular Formula:  C15H13N3
Canonical SMILES:  Cc1nc([nH]c1c1cccnc1)c1ccccc1
Standard InCHI:  InChI=1S/C15H13N3/c1-11-14(13-8-5-9-16-10-13)18-15(17-11)12-6-3-2-4-7-12/h2-10H,1H3,(H,17,18)
Standard InCHIKey:  CAQAIFUDUGDPFB-UHFFFAOYSA-N
Max Developmental Stage:  Clinical (unspecified phase)
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD1567

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 0.8902 NPC317054
Intermediate Similarity 0.8466 NPC470204
Intermediate Similarity 0.8415 NPC470203
Intermediate Similarity 0.8365 NPC114209
Intermediate Similarity 0.8343 NPC469308
Intermediate Similarity 0.825 NPC201380
Intermediate Similarity 0.825 NPC179787
Intermediate Similarity 0.8242 NPC122141
Intermediate Similarity 0.8199 NPC321911
Intermediate Similarity 0.8187 NPC63545
Intermediate Similarity 0.8137 NPC469811
Intermediate Similarity 0.8072 NPC300238
Intermediate Similarity 0.7962 NPC216159
Intermediate Similarity 0.7939 NPC325903
Intermediate Similarity 0.7929 NPC317105
Intermediate Similarity 0.7904 NPC236711
Intermediate Similarity 0.787 NPC225018
Intermediate Similarity 0.7866 NPC282531
Intermediate Similarity 0.7812 NPC471603
Intermediate Similarity 0.7797 NPC307191
Intermediate Similarity 0.7764 NPC115611
Intermediate Similarity 0.7744 NPC143872
Intermediate Similarity 0.7696 NPC116555
Intermediate Similarity 0.7683 NPC204141
Intermediate Similarity 0.7679 NPC476297
Intermediate Similarity 0.7679 NPC120070
Intermediate Similarity 0.7679 NPC476219
Intermediate Similarity 0.7661 NPC253687
Intermediate Similarity 0.7654 NPC284635
Intermediate Similarity 0.76 NPC82331
Intermediate Similarity 0.7593 NPC110126
Intermediate Similarity 0.759 NPC470111
Intermediate Similarity 0.7578 NPC105127
Intermediate Similarity 0.7578 NPC84911
Intermediate Similarity 0.7572 NPC274229
Intermediate Similarity 0.7563 NPC267811
Intermediate Similarity 0.756 NPC470233
Intermediate Similarity 0.7516 NPC261195
Intermediate Similarity 0.7516 NPC96102
Intermediate Similarity 0.7516 NPC29886
Intermediate Similarity 0.7485 NPC73767
Intermediate Similarity 0.7484 NPC82295
Intermediate Similarity 0.7472 NPC474958
Intermediate Similarity 0.7469 NPC125746
Intermediate Similarity 0.7453 NPC198988
Intermediate Similarity 0.7443 NPC97343
Intermediate Similarity 0.7439 NPC469761
Intermediate Similarity 0.7439 NPC469767
Intermediate Similarity 0.7439 NPC469783
Intermediate Similarity 0.7439 NPC469784
Intermediate Similarity 0.7439 NPC469779
Intermediate Similarity 0.7439 NPC469780
Intermediate Similarity 0.7439 NPC469768
Intermediate Similarity 0.7425 NPC288838
Intermediate Similarity 0.7418 NPC108011
Intermediate Similarity 0.7416 NPC471579
Intermediate Similarity 0.7407 NPC325252
Intermediate Similarity 0.7396 NPC53947
Intermediate Similarity 0.7394 NPC469766
Intermediate Similarity 0.7374 NPC280852
Intermediate Similarity 0.7349 NPC42483
Intermediate Similarity 0.7349 NPC190296
Intermediate Similarity 0.7333 NPC279081
Intermediate Similarity 0.7333 NPC240088
Intermediate Similarity 0.7333 NPC473380
Intermediate Similarity 0.733 NPC49217
Intermediate Similarity 0.7314 NPC478184
Intermediate Similarity 0.7299 NPC44773
Intermediate Similarity 0.7299 NPC215584
Intermediate Similarity 0.7294 NPC40070
Intermediate Similarity 0.7293 NPC265710
Intermediate Similarity 0.7267 NPC101165
Intermediate Similarity 0.7262 NPC314372
Intermediate Similarity 0.7258 NPC472289
Intermediate Similarity 0.7253 NPC16659
Intermediate Similarity 0.7241 NPC477591
Intermediate Similarity 0.7236 NPC282247
Intermediate Similarity 0.7229 NPC230002
Intermediate Similarity 0.7213 NPC191415
Intermediate Similarity 0.7197 NPC46358
Intermediate Similarity 0.7176 NPC471957
Intermediate Similarity 0.7175 NPC17751
Intermediate Similarity 0.7175 NPC280864
Intermediate Similarity 0.7171 NPC130570
Intermediate Similarity 0.7169 NPC88097
Intermediate Similarity 0.716 NPC86288
Intermediate Similarity 0.716 NPC159856
Intermediate Similarity 0.7152 NPC27740
Intermediate Similarity 0.7143 NPC56765
Intermediate Similarity 0.7143 NPC293487
Intermediate Similarity 0.7135 NPC284678
Intermediate Similarity 0.7129 NPC470323
Intermediate Similarity 0.7126 NPC59084
Intermediate Similarity 0.7119 NPC478182
Intermediate Similarity 0.7119 NPC247987
Intermediate Similarity 0.7099 NPC22079
Intermediate Similarity 0.7095 NPC267078
Intermediate Similarity 0.7095 NPC935
Intermediate Similarity 0.7093 NPC105818
Intermediate Similarity 0.7093 NPC24678
Intermediate Similarity 0.7086 NPC216643
Intermediate Similarity 0.7083 NPC63157
Intermediate Similarity 0.7083 NPC473868
Intermediate Similarity 0.7081 NPC102755
Intermediate Similarity 0.7081 NPC48938
Intermediate Similarity 0.707 NPC182570
Intermediate Similarity 0.707 NPC265605
Intermediate Similarity 0.707 NPC48564
Intermediate Similarity 0.7062 NPC474357
Intermediate Similarity 0.7059 NPC470440
Intermediate Similarity 0.7052 NPC470823
Intermediate Similarity 0.7048 NPC314102
Intermediate Similarity 0.7048 NPC251722
Intermediate Similarity 0.7045 NPC92796
Intermediate Similarity 0.7045 NPC135141
Intermediate Similarity 0.7037 NPC231536
Intermediate Similarity 0.7025 NPC41174
Intermediate Similarity 0.7024 NPC2949
Intermediate Similarity 0.7022 NPC90723
Intermediate Similarity 0.7011 NPC469763
Intermediate Similarity 0.7011 NPC469760
Intermediate Similarity 0.7011 NPC469765
Intermediate Similarity 0.7011 NPC73952
Intermediate Similarity 0.7011 NPC469786
Intermediate Similarity 0.7011 NPC141926
Intermediate Similarity 0.7011 NPC25008
Intermediate Similarity 0.7011 NPC200214
Intermediate Similarity 0.7011 NPC259644
Remote Similarity 0.6994 NPC282398
Remote Similarity 0.6989 NPC286427
Remote Similarity 0.6988 NPC218268
Remote Similarity 0.6982 NPC197068
Remote Similarity 0.6971 NPC80597
Remote Similarity 0.6971 NPC212376
Remote Similarity 0.6971 NPC75540
Remote Similarity 0.6971 NPC34844
Remote Similarity 0.6971 NPC70922
Remote Similarity 0.6971 NPC211572
Remote Similarity 0.6968 NPC62749
Remote Similarity 0.6966 NPC478185
Remote Similarity 0.6961 NPC91895
Remote Similarity 0.6957 NPC250361
Remote Similarity 0.6954 NPC469975
Remote Similarity 0.6954 NPC216713
Remote Similarity 0.6951 NPC471322
Remote Similarity 0.6949 NPC41257
Remote Similarity 0.6949 NPC206819
Remote Similarity 0.6949 NPC318065
Remote Similarity 0.6946 NPC150259
Remote Similarity 0.6944 NPC478183
Remote Similarity 0.6944 NPC56233
Remote Similarity 0.6933 NPC473587
Remote Similarity 0.6932 NPC476464
Remote Similarity 0.6919 NPC316069
Remote Similarity 0.6914 NPC232798
Remote Similarity 0.6914 NPC138842
Remote Similarity 0.6903 NPC84268
Remote Similarity 0.6894 NPC245244
Remote Similarity 0.6894 NPC146373
Remote Similarity 0.6894 NPC166424
Remote Similarity 0.689 NPC475428
Remote Similarity 0.6879 NPC21605
Remote Similarity 0.6879 NPC91958
Remote Similarity 0.6872 NPC282231
Remote Similarity 0.6871 NPC473762
Remote Similarity 0.6868 NPC32534
Remote Similarity 0.6868 NPC164664
Remote Similarity 0.6848 NPC280297
Remote Similarity 0.6848 NPC179365
Remote Similarity 0.6848 NPC475450
Remote Similarity 0.684 NPC69843
Remote Similarity 0.6839 NPC188821
Remote Similarity 0.6839 NPC474180
Remote Similarity 0.6836 NPC469785
Remote Similarity 0.6826 NPC296437
Remote Similarity 0.6816 NPC279918
Remote Similarity 0.6816 NPC229173
Remote Similarity 0.6813 NPC278874
Remote Similarity 0.6805 NPC169433
Remote Similarity 0.6798 NPC54981
Remote Similarity 0.6798 NPC469762
Remote Similarity 0.6793 NPC477611
Remote Similarity 0.6792 NPC156003
Remote Similarity 0.6788 NPC324149
Remote Similarity 0.6772 NPC143603
Remote Similarity 0.6763 NPC285731
Remote Similarity 0.676 NPC474880
Remote Similarity 0.676 NPC221786
Remote Similarity 0.676 NPC475990
Remote Similarity 0.6758 NPC474561
Remote Similarity 0.6758 NPC49954
Remote Similarity 0.6757 NPC297034
Remote Similarity 0.6753 NPC326422
Remote Similarity 0.6745 NPC107160
Remote Similarity 0.6744 NPC20144
Remote Similarity 0.674 NPC311276
Remote Similarity 0.6739 NPC476686
Remote Similarity 0.6739 NPC476688
Remote Similarity 0.6739 NPC105758
Remote Similarity 0.6738 NPC12649

Drug Structure

External Identifiers

TTD   DPR000047
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID   10421577
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  235.11
ALogP  0.0191
MLogP  2.78
XLogP  4.358
HDA  3
HBD  1
Rotatable Bonds  3
TPSA  41.57
RO5 Violation  0