Drug Information

Drug ID:  NPD7527
Drug Name:  
Molecular Formula:  C30H53N3O6
Canonical SMILES:  COCCCOc1cc(ccc1OC)C[C@H](C(C)C)C[C@@H]([C@H](C[C@@H](C(=NCC(C(=N)O)(C)C)O)C(C)C)O)N
Standard InCHI:  InChI=1S/C30H53N3O6/c1-19(2)22(14-21-10-11-26(38-8)27(15-21)39-13-9-12-37-7)16-24(31)25(34)17-23(20(3)4)28(35)33-18-30(5,6)29(32)36/h10-11,15,19-20,22-25,34H,9,12-14,16-18,31H2,1-8H3,(H2,32,36)(H,33,35)/t22-,23+,24-,25-/m0/s1
Standard InCHIKey:  UXOWGYHJODZGMF-NDBXHCKUSA-N
Max Developmental Stage:  Clinical (unspecified phase)
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD7527

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 0.8138 NPC247018
Intermediate Similarity 0.8138 NPC307123
Intermediate Similarity 0.8138 NPC97870
Intermediate Similarity 0.7987 NPC115144
Intermediate Similarity 0.7987 NPC277857
Intermediate Similarity 0.7945 NPC329595
Intermediate Similarity 0.7945 NPC326599
Intermediate Similarity 0.7905 NPC218530
Intermediate Similarity 0.7881 NPC477838
Intermediate Similarity 0.7881 NPC477837
Intermediate Similarity 0.7867 NPC160607
Intermediate Similarity 0.7867 NPC204848
Intermediate Similarity 0.7867 NPC41473
Intermediate Similarity 0.7867 NPC14600
Intermediate Similarity 0.7867 NPC312770
Intermediate Similarity 0.7862 NPC153990
Intermediate Similarity 0.7838 NPC313737
Intermediate Similarity 0.7838 NPC285078
Intermediate Similarity 0.7838 NPC6854
Intermediate Similarity 0.7823 NPC114102
Intermediate Similarity 0.7821 NPC470935
Intermediate Similarity 0.7821 NPC471032
Intermediate Similarity 0.7812 NPC160931
Intermediate Similarity 0.7812 NPC37205
Intermediate Similarity 0.7793 NPC301713
Intermediate Similarity 0.777 NPC471953
Intermediate Similarity 0.777 NPC93882
Intermediate Similarity 0.777 NPC214869
Intermediate Similarity 0.777 NPC130595
Intermediate Similarity 0.777 NPC274732
Intermediate Similarity 0.7763 NPC83289
Intermediate Similarity 0.7763 NPC212850
Intermediate Similarity 0.7763 NPC189724
Intermediate Similarity 0.774 NPC191302
Intermediate Similarity 0.7724 NPC320242
Intermediate Similarity 0.7714 NPC120075
Intermediate Similarity 0.7712 NPC323204
Intermediate Similarity 0.7708 NPC140359
Intermediate Similarity 0.7708 NPC13020
Intermediate Similarity 0.7703 NPC308885
Intermediate Similarity 0.7703 NPC255550
Intermediate Similarity 0.7697 NPC90984
Intermediate Similarity 0.7697 NPC299583
Intermediate Similarity 0.7692 NPC211992
Intermediate Similarity 0.7639 NPC298486
Intermediate Similarity 0.7635 NPC35961
Intermediate Similarity 0.7635 NPC52029
Intermediate Similarity 0.7635 NPC195749
Intermediate Similarity 0.7625 NPC275027
Intermediate Similarity 0.7619 NPC291847
Intermediate Similarity 0.7619 NPC186898
Intermediate Similarity 0.7606 NPC474320
Intermediate Similarity 0.759 NPC198741
Intermediate Similarity 0.758 NPC245974
Intermediate Similarity 0.7578 NPC207675
Intermediate Similarity 0.7578 NPC212699
Intermediate Similarity 0.7568 NPC155838
Intermediate Similarity 0.7568 NPC147247
Intermediate Similarity 0.7568 NPC246974
Intermediate Similarity 0.7564 NPC247298
Intermediate Similarity 0.7551 NPC206882
Intermediate Similarity 0.7535 NPC474040
Intermediate Similarity 0.7535 NPC474214
Intermediate Similarity 0.7516 NPC318591
Intermediate Similarity 0.7516 NPC231163
Intermediate Similarity 0.7516 NPC5462
Intermediate Similarity 0.7515 NPC179250
Intermediate Similarity 0.7515 NPC50380
Intermediate Similarity 0.75 NPC157740
Intermediate Similarity 0.75 NPC69360
Intermediate Similarity 0.75 NPC41331
Intermediate Similarity 0.75 NPC99798
Intermediate Similarity 0.75 NPC251571
Intermediate Similarity 0.75 NPC64205
Intermediate Similarity 0.75 NPC291449
Intermediate Similarity 0.7484 NPC66518
Intermediate Similarity 0.7484 NPC204546
Intermediate Similarity 0.7483 NPC141739
Intermediate Similarity 0.7483 NPC136112
Intermediate Similarity 0.7483 NPC230219
Intermediate Similarity 0.7483 NPC24474
Intermediate Similarity 0.7483 NPC283760
Intermediate Similarity 0.7483 NPC311595
Intermediate Similarity 0.747 NPC124433
Intermediate Similarity 0.747 NPC293871
Intermediate Similarity 0.7468 NPC132771
Intermediate Similarity 0.7466 NPC280704
Intermediate Similarity 0.7456 NPC476751
Intermediate Similarity 0.7456 NPC474953
Intermediate Similarity 0.7453 NPC474560
Intermediate Similarity 0.7451 NPC167944
Intermediate Similarity 0.7451 NPC42793
Intermediate Similarity 0.7451 NPC231884
Intermediate Similarity 0.745 NPC470084
Intermediate Similarity 0.7448 NPC476343
Intermediate Similarity 0.7438 NPC60538
Intermediate Similarity 0.7438 NPC207824
Intermediate Similarity 0.7438 NPC182119
Intermediate Similarity 0.7436 NPC222039
Intermediate Similarity 0.7436 NPC100478
Intermediate Similarity 0.7434 NPC26394
Intermediate Similarity 0.7432 NPC156944
Intermediate Similarity 0.7432 NPC251466
Intermediate Similarity 0.7431 NPC17388
Intermediate Similarity 0.7431 NPC160120
Intermediate Similarity 0.7431 NPC471308
Intermediate Similarity 0.7431 NPC53596
Intermediate Similarity 0.7431 NPC289330
Intermediate Similarity 0.7429 NPC26524
Intermediate Similarity 0.7427 NPC329969
Intermediate Similarity 0.7425 NPC54125
Intermediate Similarity 0.7425 NPC89199
Intermediate Similarity 0.7417 NPC470392
Intermediate Similarity 0.7415 NPC94276
Intermediate Similarity 0.7415 NPC105513
Intermediate Similarity 0.7415 NPC48990
Intermediate Similarity 0.7415 NPC109822
Intermediate Similarity 0.7415 NPC114901
Intermediate Similarity 0.7415 NPC293701
Intermediate Similarity 0.7405 NPC313414
Intermediate Similarity 0.74 NPC470706
Intermediate Similarity 0.74 NPC475875
Intermediate Similarity 0.7397 NPC71090
Intermediate Similarity 0.7397 NPC85488
Intermediate Similarity 0.7394 NPC329837
Intermediate Similarity 0.7394 NPC81067
Intermediate Similarity 0.7394 NPC9341
Intermediate Similarity 0.7391 NPC476742
Intermediate Similarity 0.7386 NPC264956
Intermediate Similarity 0.7383 NPC163332
Intermediate Similarity 0.7383 NPC183181
Intermediate Similarity 0.7383 NPC118533
Intermediate Similarity 0.7383 NPC165045
Intermediate Similarity 0.7383 NPC319625
Intermediate Similarity 0.7383 NPC111247
Intermediate Similarity 0.7383 NPC41706
Intermediate Similarity 0.7383 NPC292056
Intermediate Similarity 0.7383 NPC147821
Intermediate Similarity 0.7383 NPC118787
Intermediate Similarity 0.7379 NPC183262
Intermediate Similarity 0.7372 NPC195814
Intermediate Similarity 0.7372 NPC275150
Intermediate Similarity 0.7368 NPC18842
Intermediate Similarity 0.7365 NPC207541
Intermediate Similarity 0.7365 NPC246133
Intermediate Similarity 0.7365 NPC71105
Intermediate Similarity 0.7365 NPC152186
Intermediate Similarity 0.7365 NPC182147
Intermediate Similarity 0.7365 NPC170583
Intermediate Similarity 0.7365 NPC218614
Intermediate Similarity 0.7361 NPC135961
Intermediate Similarity 0.7357 NPC165646
Intermediate Similarity 0.7356 NPC474607
Intermediate Similarity 0.7355 NPC296898
Intermediate Similarity 0.7353 NPC164608
Intermediate Similarity 0.7351 NPC242807
Intermediate Similarity 0.7351 NPC145305
Intermediate Similarity 0.7351 NPC257582
Intermediate Similarity 0.7351 NPC77040
Intermediate Similarity 0.7351 NPC42300
Intermediate Similarity 0.7351 NPC187998
Intermediate Similarity 0.7351 NPC174495
Intermediate Similarity 0.7351 NPC92164
Intermediate Similarity 0.7351 NPC64201
Intermediate Similarity 0.7351 NPC153739
Intermediate Similarity 0.7351 NPC241522
Intermediate Similarity 0.7349 NPC4304
Intermediate Similarity 0.7346 NPC76213
Intermediate Similarity 0.7346 NPC277669
Intermediate Similarity 0.7346 NPC127402
Intermediate Similarity 0.7346 NPC476741
Intermediate Similarity 0.7343 NPC164386
Intermediate Similarity 0.7338 NPC137685
Intermediate Similarity 0.7338 NPC93783
Intermediate Similarity 0.7337 NPC304846
Intermediate Similarity 0.7337 NPC252960
Intermediate Similarity 0.7333 NPC469977
Intermediate Similarity 0.7329 NPC473853
Intermediate Similarity 0.7329 NPC184651
Intermediate Similarity 0.7329 NPC324571
Intermediate Similarity 0.7329 NPC127389
Intermediate Similarity 0.7329 NPC113865
Intermediate Similarity 0.7329 NPC343720
Intermediate Similarity 0.7329 NPC312675
Intermediate Similarity 0.7329 NPC470804
Intermediate Similarity 0.7329 NPC470212
Intermediate Similarity 0.7329 NPC54872
Intermediate Similarity 0.7329 NPC290451
Intermediate Similarity 0.7329 NPC262156
Intermediate Similarity 0.7315 NPC178284
Intermediate Similarity 0.7315 NPC191037
Intermediate Similarity 0.7315 NPC58607
Intermediate Similarity 0.7314 NPC474650
Intermediate Similarity 0.7312 NPC476743
Intermediate Similarity 0.731 NPC108434
Intermediate Similarity 0.731 NPC475215
Intermediate Similarity 0.731 NPC263835
Intermediate Similarity 0.7303 NPC30043
Intermediate Similarity 0.7303 NPC469613
Intermediate Similarity 0.7303 NPC469625

Drug Structure

External Identifiers

TTD   DNCL001713
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID   23231644
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  551.39
ALogP  0.2323
MLogP  3.77
XLogP  5.14
HDA  7
HBD  5
Rotatable Bonds  31
TPSA  150.61
RO5 Violation  2