Drug Information

Drug ID:  NPD1869
Drug Name:  Dipraglurant
Molecular Formula:  C16H12FN3
Canonical SMILES:  Fc1ccc2n(c1)cc(n2)CCC#Cc1ccccn1
Standard InCHI:  InChI=1S/C16H12FN3/c17-13-8-9-16-19-15(12-20(16)11-13)7-2-1-5-14-6-3-4-10-18-14/h3-4,6,8-12H,2,7H2
Standard InCHIKey:  LZXMUJCJAWVHPZ-UHFFFAOYSA-N
Max Developmental Stage:  Phase 2
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD1869

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 0.8024 NPC317054
Intermediate Similarity 0.7273 NPC469308
Intermediate Similarity 0.717 NPC216159
Intermediate Similarity 0.7095 NPC84268
Intermediate Similarity 0.7041 NPC120070
Intermediate Similarity 0.7035 NPC470203
Remote Similarity 0.6977 NPC470204
Remote Similarity 0.6946 NPC114209
Remote Similarity 0.6941 NPC476219
Remote Similarity 0.6904 NPC471603
Remote Similarity 0.6864 NPC40070
Remote Similarity 0.6824 NPC470233
Remote Similarity 0.6795 NPC476322
Remote Similarity 0.6792 NPC476131
Remote Similarity 0.6786 NPC63545
Remote Similarity 0.6782 NPC122141
Remote Similarity 0.6781 NPC231655
Remote Similarity 0.6774 NPC472289
Remote Similarity 0.675 NPC69914
Remote Similarity 0.6746 NPC179787
Remote Similarity 0.6746 NPC469811
Remote Similarity 0.6746 NPC201380
Remote Similarity 0.6746 NPC470111
Remote Similarity 0.6744 NPC476297
Remote Similarity 0.6743 NPC225018
Remote Similarity 0.6743 NPC253687
Remote Similarity 0.6743 NPC478185
Remote Similarity 0.6706 NPC321911
Remote Similarity 0.6686 NPC325903
Remote Similarity 0.6629 NPC300238
Remote Similarity 0.6629 NPC56233
Remote Similarity 0.6629 NPC293487
Remote Similarity 0.6629 NPC477591
Remote Similarity 0.661 NPC478182
Remote Similarity 0.6608 NPC282531
Remote Similarity 0.6607 NPC42483
Remote Similarity 0.6603 NPC48564
Remote Similarity 0.6603 NPC182570
Remote Similarity 0.6603 NPC265605
Remote Similarity 0.6579 NPC143156
Remote Similarity 0.6555 NPC107160
Remote Similarity 0.6541 NPC307191
Remote Similarity 0.6536 NPC478183
Remote Similarity 0.6517 NPC317105
Remote Similarity 0.6517 NPC478184
Remote Similarity 0.6503 NPC280852
Remote Similarity 0.6483 NPC83987
Remote Similarity 0.6477 NPC236711
Remote Similarity 0.6471 NPC108011
Remote Similarity 0.6452 NPC471402
Remote Similarity 0.6452 NPC297486
Remote Similarity 0.6452 NPC240136
Remote Similarity 0.645 NPC116555
Remote Similarity 0.6448 NPC471579
Remote Similarity 0.6437 NPC469975
Remote Similarity 0.6415 NPC46358
Remote Similarity 0.6412 NPC20144
Remote Similarity 0.6407 NPC150259
Remote Similarity 0.6407 NPC314102
Remote Similarity 0.6407 NPC251722
Remote Similarity 0.6398 NPC75999
Remote Similarity 0.6375 NPC27740
Remote Similarity 0.6374 NPC91895
Remote Similarity 0.6374 NPC32534
Remote Similarity 0.6353 NPC197068
Remote Similarity 0.6352 NPC329825
Remote Similarity 0.6337 NPC86288
Remote Similarity 0.6335 NPC166424
Remote Similarity 0.6335 NPC245244
Remote Similarity 0.6335 NPC146373
Remote Similarity 0.6316 NPC27802
Remote Similarity 0.6308 NPC21461
Remote Similarity 0.6306 NPC91958
Remote Similarity 0.6303 NPC101165
Remote Similarity 0.6303 NPC471322
Remote Similarity 0.6301 NPC143872
Remote Similarity 0.6298 NPC195507
Remote Similarity 0.6298 NPC2165
Remote Similarity 0.6298 NPC274229
Remote Similarity 0.6296 NPC202957
Remote Similarity 0.6296 NPC135488
Remote Similarity 0.6296 NPC169625
Remote Similarity 0.628 NPC267811
Remote Similarity 0.625 NPC82331
Remote Similarity 0.6243 NPC204141
Remote Similarity 0.6243 NPC471609
Remote Similarity 0.6235 NPC315348
Remote Similarity 0.6235 NPC32002
Remote Similarity 0.6235 NPC316811
Remote Similarity 0.6225 NPC76540
Remote Similarity 0.6222 NPC25899
Remote Similarity 0.6207 NPC288838
Remote Similarity 0.6205 NPC256893
Remote Similarity 0.6203 NPC143603
Remote Similarity 0.6199 NPC115611
Remote Similarity 0.6196 NPC97343
Remote Similarity 0.6188 NPC48192
Remote Similarity 0.6183 NPC297034
Remote Similarity 0.617 NPC12649
Remote Similarity 0.6158 NPC472260
Remote Similarity 0.6154 NPC96102
Remote Similarity 0.615 NPC474958
Remote Similarity 0.6145 NPC282398
Remote Similarity 0.614 NPC73767
Remote Similarity 0.614 NPC110126
Remote Similarity 0.614 NPC88097
Remote Similarity 0.6138 NPC24864
Remote Similarity 0.6138 NPC16659
Remote Similarity 0.6134 NPC231536
Remote Similarity 0.6129 NPC235843
Remote Similarity 0.6124 NPC138842
Remote Similarity 0.6122 NPC213774
Remote Similarity 0.6118 NPC84911
Remote Similarity 0.6118 NPC105127
Remote Similarity 0.6111 NPC129721
Remote Similarity 0.6111 NPC290094
Remote Similarity 0.6108 NPC82295
Remote Similarity 0.6105 NPC469761
Remote Similarity 0.6105 NPC469780
Remote Similarity 0.6105 NPC469767
Remote Similarity 0.6105 NPC469779
Remote Similarity 0.6105 NPC469784
Remote Similarity 0.6105 NPC469783
Remote Similarity 0.6105 NPC469768
Remote Similarity 0.6102 NPC53947
Remote Similarity 0.6095 NPC198988
Remote Similarity 0.6087 NPC49217
Remote Similarity 0.6085 NPC265710
Remote Similarity 0.6082 NPC169433
Remote Similarity 0.6076 NPC476566
Remote Similarity 0.6069 NPC469766
Remote Similarity 0.6059 NPC29886
Remote Similarity 0.6059 NPC261195
Remote Similarity 0.6053 NPC314281
Remote Similarity 0.6053 NPC40530
Remote Similarity 0.6047 NPC104483
Remote Similarity 0.6044 NPC44773
Remote Similarity 0.6044 NPC215584
Remote Similarity 0.6032 NPC240088
Remote Similarity 0.6032 NPC473380
Remote Similarity 0.6028 NPC130570
Remote Similarity 0.6023 NPC125746
Remote Similarity 0.6023 NPC65408
Remote Similarity 0.6023 NPC478186
Remote Similarity 0.6022 NPC476518
Remote Similarity 0.6022 NPC216643
Remote Similarity 0.6022 NPC124276
Remote Similarity 0.6012 NPC279081
Remote Similarity 0.6012 NPC284635
Remote Similarity 0.601 NPC476341
Remote Similarity 0.6 NPC296437
Remote Similarity 0.5989 NPC56765
Remote Similarity 0.5989 NPC121658
Remote Similarity 0.5989 NPC14651
Remote Similarity 0.5987 NPC473901
Remote Similarity 0.5981 NPC282247
Remote Similarity 0.5969 NPC134079
Remote Similarity 0.5965 NPC470266
Remote Similarity 0.5965 NPC325252
Remote Similarity 0.5965 NPC328029
Remote Similarity 0.5964 NPC471311
Remote Similarity 0.5964 NPC471313
Remote Similarity 0.5962 NPC242923
Remote Similarity 0.5957 NPC111624
Remote Similarity 0.5943 NPC190296
Remote Similarity 0.5938 NPC191415
Remote Similarity 0.5936 NPC164664
Remote Similarity 0.5936 NPC470323
Remote Similarity 0.593 NPC472288
Remote Similarity 0.5928 NPC313823
Remote Similarity 0.5928 NPC89490
Remote Similarity 0.592 NPC230002
Remote Similarity 0.592 NPC476521
Remote Similarity 0.5917 NPC324611
Remote Similarity 0.5909 NPC935
Remote Similarity 0.5909 NPC267078
Remote Similarity 0.5907 NPC48938
Remote Similarity 0.5907 NPC102755
Remote Similarity 0.5902 NPC92796
Remote Similarity 0.5902 NPC135141
Remote Similarity 0.5896 NPC476528
Remote Similarity 0.5896 NPC476433
Remote Similarity 0.5893 NPC329896
Remote Similarity 0.5893 NPC71236
Remote Similarity 0.5893 NPC475090
Remote Similarity 0.5893 NPC475105
Remote Similarity 0.5892 NPC90723
Remote Similarity 0.589 NPC116622
Remote Similarity 0.5885 NPC54981
Remote Similarity 0.5885 NPC73994
Remote Similarity 0.5882 NPC474357
Remote Similarity 0.5879 NPC51054
Remote Similarity 0.5876 NPC284678
Remote Similarity 0.5876 NPC285731
Remote Similarity 0.5876 NPC314372
Remote Similarity 0.5876 NPC159856
Remote Similarity 0.5873 NPC314557
Remote Similarity 0.587 NPC255229
Remote Similarity 0.587 NPC81229
Remote Similarity 0.587 NPC229173

Drug Structure

External Identifiers

TTD   DCL000032
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID   44557636
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  265.10
ALogP  1.4013
MLogP  2.78
XLogP  3.875
HDA  3
HBD  0
Rotatable Bonds  3
TPSA  30.19
RO5 Violation  0