Drug Information

Drug ID:  NPD6829
Drug Name:  Azd-1775
Molecular Formula:  C27H32N8O2
Canonical SMILES:  C=CCn1c(=O)c2c(n1c1cccc(n1)C(O)(C)C)nc(nc2)Nc1ccc(cc1)N1CCN(CC1)C
Standard InCHI:  InChI=1S/C27H32N8O2/c1-5-13-34-25(36)21-18-28-26(29-19-9-11-20(12-10-19)33-16-14-32(4)15-17-33)31-24(21)35(34)23-8-6-7-22(30-23)27(2,3)37/h5-12,18,37H,1,13-17H2,2-4H3,(H,28,29,31)
Standard InCHIKey:  BKWJAKQVGHWELA-UHFFFAOYSA-N
Max Developmental Stage:  Phase 2
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD6829

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 0.708 NPC153980
Intermediate Similarity 0.708 NPC6865
Intermediate Similarity 0.7056 NPC472289
Intermediate Similarity 0.7035 NPC72956
Remote Similarity 0.6987 NPC471192
Remote Similarity 0.6974 NPC282247
Remote Similarity 0.693 NPC471194
Remote Similarity 0.693 NPC471193
Remote Similarity 0.693 NPC471603
Remote Similarity 0.6923 NPC130570
Remote Similarity 0.692 NPC116622
Remote Similarity 0.6913 NPC147983
Remote Similarity 0.6913 NPC177996
Remote Similarity 0.6835 NPC107160
Remote Similarity 0.6812 NPC54981
Remote Similarity 0.6784 NPC243850
Remote Similarity 0.6778 NPC69843
Remote Similarity 0.6777 NPC317054
Remote Similarity 0.6777 NPC477549
Remote Similarity 0.6766 NPC474896
Remote Similarity 0.6759 NPC74619
Remote Similarity 0.6737 NPC31097
Remote Similarity 0.6728 NPC94752
Remote Similarity 0.6728 NPC135601
Remote Similarity 0.6728 NPC17273
Remote Similarity 0.6728 NPC141612
Remote Similarity 0.6726 NPC212213
Remote Similarity 0.6726 NPC265576
Remote Similarity 0.6723 NPC272174
Remote Similarity 0.6723 NPC103687
Remote Similarity 0.6723 NPC132631
Remote Similarity 0.6707 NPC295452
Remote Similarity 0.6707 NPC171393
Remote Similarity 0.6695 NPC476491
Remote Similarity 0.6695 NPC62995
Remote Similarity 0.6681 NPC71238
Remote Similarity 0.6681 NPC116555
Remote Similarity 0.6667 NPC220851
Remote Similarity 0.6654 NPC63109
Remote Similarity 0.6652 NPC474916
Remote Similarity 0.6634 NPC120070
Remote Similarity 0.6625 NPC323244
Remote Similarity 0.6623 NPC472259
Remote Similarity 0.6598 NPC156003
Remote Similarity 0.6596 NPC267811
Remote Similarity 0.6596 NPC469727
Remote Similarity 0.6595 NPC242923
Remote Similarity 0.6594 NPC475288
Remote Similarity 0.6594 NPC471191
Remote Similarity 0.659 NPC48938
Remote Similarity 0.6589 NPC203754
Remote Similarity 0.6589 NPC150048
Remote Similarity 0.6584 NPC328924
Remote Similarity 0.6578 NPC239954
Remote Similarity 0.6574 NPC16659
Remote Similarity 0.6574 NPC314281
Remote Similarity 0.6574 NPC40530
Remote Similarity 0.657 NPC470730
Remote Similarity 0.657 NPC477175
Remote Similarity 0.6565 NPC470786
Remote Similarity 0.6565 NPC471155
Remote Similarity 0.656 NPC21429
Remote Similarity 0.6556 NPC186351
Remote Similarity 0.655 NPC473376
Remote Similarity 0.6547 NPC198673
Remote Similarity 0.6543 NPC475859
Remote Similarity 0.6543 NPC475969
Remote Similarity 0.654 NPC250178
Remote Similarity 0.6537 NPC270241
Remote Similarity 0.6528 NPC265710
Remote Similarity 0.6527 NPC327095
Remote Similarity 0.6527 NPC312942
Remote Similarity 0.6524 NPC476446
Remote Similarity 0.6524 NPC78375
Remote Similarity 0.6524 NPC320968
Remote Similarity 0.6524 NPC469813
Remote Similarity 0.6522 NPC225400
Remote Similarity 0.6516 NPC165743
Remote Similarity 0.6516 NPC213629
Remote Similarity 0.6504 NPC168911
Remote Similarity 0.65 NPC64216
Remote Similarity 0.65 NPC229893
Remote Similarity 0.65 NPC476817
Remote Similarity 0.65 NPC40455
Remote Similarity 0.6498 NPC473310
Remote Similarity 0.6494 NPC473362
Remote Similarity 0.6494 NPC166492
Remote Similarity 0.6494 NPC472538
Remote Similarity 0.6491 NPC471944
Remote Similarity 0.6484 NPC228835
Remote Similarity 0.6483 NPC470731
Remote Similarity 0.6479 NPC164664
Remote Similarity 0.6475 NPC21461
Remote Similarity 0.6463 NPC57398
Remote Similarity 0.6462 NPC49217
Remote Similarity 0.6461 NPC297862
Remote Similarity 0.6457 NPC117244
Remote Similarity 0.6457 NPC473763
Remote Similarity 0.6456 NPC27041
Remote Similarity 0.6446 NPC2497
Remote Similarity 0.6445 NPC162268
Remote Similarity 0.644 NPC39092
Remote Similarity 0.6434 NPC326363
Remote Similarity 0.6432 NPC470499
Remote Similarity 0.6429 NPC469717
Remote Similarity 0.6422 NPC24864
Remote Similarity 0.6421 NPC477633
Remote Similarity 0.642 NPC257851
Remote Similarity 0.6416 NPC470787
Remote Similarity 0.6416 NPC472539
Remote Similarity 0.6416 NPC472540
Remote Similarity 0.6414 NPC322064
Remote Similarity 0.6411 NPC28945
Remote Similarity 0.6411 NPC184225
Remote Similarity 0.6409 NPC467063
Remote Similarity 0.6406 NPC240088
Remote Similarity 0.6406 NPC473380
Remote Similarity 0.6405 NPC19170
Remote Similarity 0.6398 NPC54744
Remote Similarity 0.6397 NPC325976
Remote Similarity 0.6395 NPC477111
Remote Similarity 0.6395 NPC266249
Remote Similarity 0.6393 NPC477891
Remote Similarity 0.6391 NPC211813
Remote Similarity 0.6391 NPC328596
Remote Similarity 0.6391 NPC328318
Remote Similarity 0.6388 NPC472541
Remote Similarity 0.6388 NPC472542
Remote Similarity 0.6387 NPC304926
Remote Similarity 0.6387 NPC238945
Remote Similarity 0.6387 NPC476041
Remote Similarity 0.6384 NPC210123
Remote Similarity 0.6382 NPC89987
Remote Similarity 0.6379 NPC319232
Remote Similarity 0.6379 NPC24370
Remote Similarity 0.6376 NPC11126
Remote Similarity 0.6372 NPC105758
Remote Similarity 0.6372 NPC476686
Remote Similarity 0.6372 NPC476688
Remote Similarity 0.6371 NPC250835
Remote Similarity 0.6371 NPC150447
Remote Similarity 0.6368 NPC478184
Remote Similarity 0.6368 NPC478182
Remote Similarity 0.6367 NPC477176
Remote Similarity 0.6367 NPC470729
Remote Similarity 0.6364 NPC53144
Remote Similarity 0.6364 NPC317701
Remote Similarity 0.6364 NPC200836
Remote Similarity 0.636 NPC473640
Remote Similarity 0.636 NPC171317
Remote Similarity 0.6356 NPC324149
Remote Similarity 0.6355 NPC278874
Remote Similarity 0.6352 NPC6215
Remote Similarity 0.6352 NPC157931
Remote Similarity 0.6351 NPC478077
Remote Similarity 0.6349 NPC473317
Remote Similarity 0.6348 NPC300183
Remote Similarity 0.6348 NPC475506
Remote Similarity 0.6343 NPC208060
Remote Similarity 0.6342 NPC314882
Remote Similarity 0.6341 NPC477112
Remote Similarity 0.6341 NPC474877
Remote Similarity 0.6341 NPC477177
Remote Similarity 0.634 NPC123839
Remote Similarity 0.6336 NPC470500
Remote Similarity 0.6336 NPC475070
Remote Similarity 0.6335 NPC284678
Remote Similarity 0.6335 NPC285923
Remote Similarity 0.6333 NPC212742
Remote Similarity 0.6332 NPC100321
Remote Similarity 0.6332 NPC192674
Remote Similarity 0.6332 NPC293917
Remote Similarity 0.6331 NPC158055
Remote Similarity 0.633 NPC77101
Remote Similarity 0.6327 NPC66777
Remote Similarity 0.6327 NPC471762
Remote Similarity 0.6323 NPC278434
Remote Similarity 0.6323 NPC17059
Remote Similarity 0.632 NPC41679
Remote Similarity 0.632 NPC155143
Remote Similarity 0.6318 NPC144114
Remote Similarity 0.6316 NPC473814
Remote Similarity 0.6316 NPC78767
Remote Similarity 0.6313 NPC469938
Remote Similarity 0.6309 NPC317373
Remote Similarity 0.6308 NPC478006
Remote Similarity 0.6306 NPC15102
Remote Similarity 0.6306 NPC311282
Remote Similarity 0.6303 NPC478157
Remote Similarity 0.6301 NPC115595
Remote Similarity 0.63 NPC93390
Remote Similarity 0.6298 NPC162860
Remote Similarity 0.6295 NPC477861
Remote Similarity 0.6293 NPC295548
Remote Similarity 0.6292 NPC281049
Remote Similarity 0.629 NPC63279
Remote Similarity 0.6288 NPC315467
Remote Similarity 0.6282 NPC54420
Remote Similarity 0.628 NPC282531
Remote Similarity 0.6276 NPC470732

Drug Structure

External Identifiers

TTD   DCL000569
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID   24856436
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  500.26
ALogP  -0.014
MLogP  3.33
XLogP  2.929
HDA  10
HBD  2
Rotatable Bonds  11
TPSA  100.96
RO5 Violation  0