Drug Information

Drug ID:  NPD5645
Drug Name:  Copanlisib
Molecular Formula:  C23H28N8O4
Canonical SMILES:  COc1c(OCCCN2CCOCC2)ccc2c1nc(N=C(c1cnc(=N)[nH]c1)O)n1c2=NCC1
Standard InCHI:  InChI=1S/C23H28N8O4/c1-33-19-17(35-10-2-6-30-8-11-34-12-9-30)4-3-16-18(19)28-23(31-7-5-25-20(16)31)29-21(32)15-13-26-22(24)27-14-15/h3-4,13-14H,2,5-12H2,1H3,(H2,24,26,27)(H,28,29,32)
Standard InCHIKey:  PZBCKZWLPGJMAO-UHFFFAOYSA-N
Max Developmental Stage:  Phase 3
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD5645

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 0.707 NPC473422
Intermediate Similarity 0.7062 NPC272706
Intermediate Similarity 0.7045 NPC162530
Intermediate Similarity 0.7023 NPC473460
Intermediate Similarity 0.7004 NPC472068
Remote Similarity 0.6946 NPC472066
Remote Similarity 0.6946 NPC472067
Remote Similarity 0.6946 NPC472031
Remote Similarity 0.6943 NPC13397
Remote Similarity 0.692 NPC173080
Remote Similarity 0.6881 NPC158551
Remote Similarity 0.6872 NPC250960
Remote Similarity 0.6872 NPC71539
Remote Similarity 0.6856 NPC266994
Remote Similarity 0.6821 NPC476568
Remote Similarity 0.6797 NPC74216
Remote Similarity 0.6777 NPC56271
Remote Similarity 0.6771 NPC203168
Remote Similarity 0.6757 NPC219664
Remote Similarity 0.6744 NPC161804
Remote Similarity 0.6726 NPC473513
Remote Similarity 0.6726 NPC471532
Remote Similarity 0.6712 NPC471561
Remote Similarity 0.67 NPC92191
Remote Similarity 0.67 NPC59028
Remote Similarity 0.6684 NPC274026
Remote Similarity 0.6682 NPC163829
Remote Similarity 0.6667 NPC315257
Remote Similarity 0.6667 NPC66815
Remote Similarity 0.6651 NPC217294
Remote Similarity 0.6651 NPC477186
Remote Similarity 0.6651 NPC25897
Remote Similarity 0.6651 NPC127178
Remote Similarity 0.6634 NPC66573
Remote Similarity 0.6624 NPC470821
Remote Similarity 0.6616 NPC82285
Remote Similarity 0.6616 NPC133011
Remote Similarity 0.6608 NPC471531
Remote Similarity 0.6587 NPC287152
Remote Similarity 0.6562 NPC168250
Remote Similarity 0.6558 NPC79213
Remote Similarity 0.6552 NPC247251
Remote Similarity 0.6548 NPC60538
Remote Similarity 0.6548 NPC207824
Remote Similarity 0.6547 NPC16249
Remote Similarity 0.6542 NPC41501
Remote Similarity 0.6535 NPC216816
Remote Similarity 0.6533 NPC476651
Remote Similarity 0.6528 NPC78284
Remote Similarity 0.6522 NPC108826
Remote Similarity 0.652 NPC469592
Remote Similarity 0.652 NPC471080
Remote Similarity 0.6518 NPC205926
Remote Similarity 0.6518 NPC18348
Remote Similarity 0.6513 NPC130926
Remote Similarity 0.6507 NPC181905
Remote Similarity 0.6498 NPC85381
Remote Similarity 0.6493 NPC98197
Remote Similarity 0.649 NPC108434
Remote Similarity 0.649 NPC475215
Remote Similarity 0.6482 NPC76213
Remote Similarity 0.6482 NPC277669
Remote Similarity 0.6479 NPC262725
Remote Similarity 0.6478 NPC469594
Remote Similarity 0.6476 NPC316981
Remote Similarity 0.6471 NPC214368
Remote Similarity 0.6466 NPC46259
Remote Similarity 0.6458 NPC473183
Remote Similarity 0.645 NPC37957
Remote Similarity 0.645 NPC17565
Remote Similarity 0.6439 NPC475393
Remote Similarity 0.6439 NPC127362
Remote Similarity 0.6438 NPC280272
Remote Similarity 0.6438 NPC234318
Remote Similarity 0.6436 NPC37205
Remote Similarity 0.6436 NPC160931
Remote Similarity 0.6429 NPC316161
Remote Similarity 0.6429 NPC49353
Remote Similarity 0.6429 NPC185838
Remote Similarity 0.6422 NPC478007
Remote Similarity 0.6419 NPC316297
Remote Similarity 0.6419 NPC66191
Remote Similarity 0.6419 NPC314817
Remote Similarity 0.6418 NPC292003
Remote Similarity 0.6418 NPC477564
Remote Similarity 0.6418 NPC2295
Remote Similarity 0.6416 NPC475133
Remote Similarity 0.6416 NPC469589
Remote Similarity 0.6414 NPC428
Remote Similarity 0.6414 NPC476571
Remote Similarity 0.6414 NPC147390
Remote Similarity 0.6414 NPC24233
Remote Similarity 0.6414 NPC246587
Remote Similarity 0.6414 NPC135538
Remote Similarity 0.6411 NPC473432
Remote Similarity 0.641 NPC65277
Remote Similarity 0.6408 NPC4138
Remote Similarity 0.6408 NPC284183
Remote Similarity 0.6408 NPC121275
Remote Similarity 0.6406 NPC318805
Remote Similarity 0.6406 NPC41122
Remote Similarity 0.6406 NPC204970
Remote Similarity 0.6406 NPC294244
Remote Similarity 0.6404 NPC475326
Remote Similarity 0.6404 NPC202605
Remote Similarity 0.6404 NPC112206
Remote Similarity 0.6404 NPC119722
Remote Similarity 0.6404 NPC235628
Remote Similarity 0.6396 NPC31930
Remote Similarity 0.6389 NPC174629
Remote Similarity 0.6386 NPC127674
Remote Similarity 0.6386 NPC207757
Remote Similarity 0.6386 NPC189266
Remote Similarity 0.6386 NPC276588
Remote Similarity 0.6386 NPC54379
Remote Similarity 0.6386 NPC93593
Remote Similarity 0.6386 NPC5238
Remote Similarity 0.6386 NPC2413
Remote Similarity 0.6386 NPC184026
Remote Similarity 0.6386 NPC204828
Remote Similarity 0.6386 NPC172765
Remote Similarity 0.6386 NPC110416
Remote Similarity 0.6386 NPC193949
Remote Similarity 0.6386 NPC39701
Remote Similarity 0.6386 NPC249797
Remote Similarity 0.6386 NPC469817
Remote Similarity 0.6386 NPC295691
Remote Similarity 0.6386 NPC278799
Remote Similarity 0.6379 NPC308906
Remote Similarity 0.6379 NPC153923
Remote Similarity 0.6378 NPC294249
Remote Similarity 0.6377 NPC268503
Remote Similarity 0.6377 NPC250846
Remote Similarity 0.6377 NPC240841
Remote Similarity 0.6377 NPC317272
Remote Similarity 0.6377 NPC256012
Remote Similarity 0.6377 NPC42549
Remote Similarity 0.6376 NPC266931
Remote Similarity 0.6375 NPC473184
Remote Similarity 0.6372 NPC249996
Remote Similarity 0.6368 NPC478008
Remote Similarity 0.6364 NPC179825
Remote Similarity 0.6364 NPC321505
Remote Similarity 0.6364 NPC30540
Remote Similarity 0.6364 NPC476151
Remote Similarity 0.6364 NPC191376
Remote Similarity 0.6359 NPC233650
Remote Similarity 0.6356 NPC261388
Remote Similarity 0.6355 NPC147091
Remote Similarity 0.6355 NPC138083
Remote Similarity 0.6355 NPC476202
Remote Similarity 0.635 NPC88249
Remote Similarity 0.635 NPC192768
Remote Similarity 0.635 NPC220858
Remote Similarity 0.635 NPC151895
Remote Similarity 0.635 NPC97221
Remote Similarity 0.6346 NPC471604
Remote Similarity 0.6346 NPC310894
Remote Similarity 0.6344 NPC209769
Remote Similarity 0.6341 NPC205167
Remote Similarity 0.6332 NPC26679
Remote Similarity 0.6329 NPC134858
Remote Similarity 0.6327 NPC477796
Remote Similarity 0.6327 NPC477805
Remote Similarity 0.6327 NPC477806
Remote Similarity 0.6327 NPC477795
Remote Similarity 0.6326 NPC276674
Remote Similarity 0.6326 NPC33902
Remote Similarity 0.6321 NPC253429
Remote Similarity 0.6321 NPC287588
Remote Similarity 0.6321 NPC283999
Remote Similarity 0.632 NPC470799
Remote Similarity 0.632 NPC8022
Remote Similarity 0.6318 NPC162653
Remote Similarity 0.6316 NPC269449
Remote Similarity 0.6314 NPC19175
Remote Similarity 0.6313 NPC474904
Remote Similarity 0.6311 NPC476581
Remote Similarity 0.6311 NPC36229
Remote Similarity 0.6311 NPC24954
Remote Similarity 0.6311 NPC470930
Remote Similarity 0.6311 NPC475147
Remote Similarity 0.6311 NPC16452
Remote Similarity 0.6308 NPC328750
Remote Similarity 0.6308 NPC188163
Remote Similarity 0.6308 NPC179704
Remote Similarity 0.6308 NPC474915
Remote Similarity 0.6308 NPC213206
Remote Similarity 0.6308 NPC195538
Remote Similarity 0.6305 NPC187022
Remote Similarity 0.6305 NPC80129
Remote Similarity 0.6303 NPC2314
Remote Similarity 0.6302 NPC237227
Remote Similarity 0.63 NPC103379
Remote Similarity 0.63 NPC477565
Remote Similarity 0.6298 NPC81247
Remote Similarity 0.6298 NPC476573
Remote Similarity 0.6298 NPC35627
Remote Similarity 0.6295 NPC303374
Remote Similarity 0.6295 NPC311357

Drug Structure

External Identifiers

TTD   DNCL002440
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID   24989044
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  480.22
ALogP  -2.3049
MLogP  2.67
XLogP  1.241
HDA  10
HBD  3
Rotatable Bonds  10
TPSA  139.72
RO5 Violation  0