Drug Information

Drug ID:  NPD5913
Drug Name:  Cebranopadol
Molecular Formula:  C24H27FN2O
Canonical SMILES:  Fc1ccc2c(c1)c1CCO[C@@]3(c1[nH]2)CC[C@@](CC3)(N(C)C)c1ccccc1
Standard InCHI:  InChI=1S/C24H27FN2O/c1-27(2)23(17-6-4-3-5-7-17)11-13-24(14-12-23)22-19(10-15-28-24)20-16-18(25)8-9-21(20)26-22/h3-9,16,26H,10-15H2,1-2H3/t23-,24-
Standard InCHIKey:  CSMVOZKEWSOFER-RQNOJGIXSA-N
Max Developmental Stage:  Phase 3
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD5913

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 0.8297 NPC473189
Intermediate Similarity 0.7967 NPC211997
Intermediate Similarity 0.7946 NPC284678
Intermediate Similarity 0.794 NPC94157
Intermediate Similarity 0.7912 NPC56618
Intermediate Similarity 0.7912 NPC134586
Intermediate Similarity 0.7887 NPC267423
Intermediate Similarity 0.7835 NPC329747
Intermediate Similarity 0.7835 NPC329793
Intermediate Similarity 0.7796 NPC19679
Intermediate Similarity 0.7796 NPC176127
Intermediate Similarity 0.7784 NPC32200
Intermediate Similarity 0.7784 NPC141353
Intermediate Similarity 0.7778 NPC242928
Intermediate Similarity 0.776 NPC43787
Intermediate Similarity 0.776 NPC205934
Intermediate Similarity 0.7756 NPC132642
Intermediate Similarity 0.7742 NPC314394
Intermediate Similarity 0.7735 NPC317430
Intermediate Similarity 0.7732 NPC72211
Intermediate Similarity 0.772 NPC70259
Intermediate Similarity 0.7716 NPC162484
Intermediate Similarity 0.7713 NPC476319
Intermediate Similarity 0.77 NPC473181
Intermediate Similarity 0.7677 NPC285558
Intermediate Similarity 0.7663 NPC189812
Intermediate Similarity 0.7663 NPC329688
Intermediate Similarity 0.7662 NPC199667
Intermediate Similarity 0.766 NPC84478
Intermediate Similarity 0.7637 NPC154293
Intermediate Similarity 0.7634 NPC6093
Intermediate Similarity 0.7626 NPC223427
Intermediate Similarity 0.7624 NPC208284
Intermediate Similarity 0.7617 NPC473178
Intermediate Similarity 0.7614 NPC476044
Intermediate Similarity 0.7609 NPC472123
Intermediate Similarity 0.7606 NPC472108
Intermediate Similarity 0.7606 NPC139291
Intermediate Similarity 0.7604 NPC92111
Intermediate Similarity 0.7602 NPC128823
Intermediate Similarity 0.7594 NPC475253
Intermediate Similarity 0.7592 NPC34271
Intermediate Similarity 0.7586 NPC473180
Intermediate Similarity 0.7577 NPC131017
Intermediate Similarity 0.7574 NPC471304
Intermediate Similarity 0.7563 NPC214428
Intermediate Similarity 0.7563 NPC249040
Intermediate Similarity 0.7562 NPC475910
Intermediate Similarity 0.7554 NPC158129
Intermediate Similarity 0.7553 NPC474798
Intermediate Similarity 0.7552 NPC76748
Intermediate Similarity 0.7552 NPC95783
Intermediate Similarity 0.755 NPC476106
Intermediate Similarity 0.7549 NPC469592
Intermediate Similarity 0.7549 NPC471080
Intermediate Similarity 0.754 NPC88363
Intermediate Similarity 0.754 NPC472443
Intermediate Similarity 0.7539 NPC473177
Intermediate Similarity 0.7538 NPC205403
Intermediate Similarity 0.7538 NPC477135
Intermediate Similarity 0.7536 NPC473185
Intermediate Similarity 0.7525 NPC201697
Intermediate Similarity 0.7514 NPC34508
Intermediate Similarity 0.7513 NPC472444
Intermediate Similarity 0.75 NPC70956
Intermediate Similarity 0.75 NPC296527
Intermediate Similarity 0.75 NPC243834
Intermediate Similarity 0.75 NPC477533
Intermediate Similarity 0.75 NPC470930
Intermediate Similarity 0.7488 NPC469594
Intermediate Similarity 0.7488 NPC126066
Intermediate Similarity 0.7487 NPC291535
Intermediate Similarity 0.7487 NPC160381
Intermediate Similarity 0.7487 NPC475112
Intermediate Similarity 0.7487 NPC475085
Intermediate Similarity 0.7486 NPC285469
Intermediate Similarity 0.7476 NPC251936
Intermediate Similarity 0.7475 NPC11017
Intermediate Similarity 0.7475 NPC176538
Intermediate Similarity 0.7474 NPC190007
Intermediate Similarity 0.7474 NPC55493
Intermediate Similarity 0.7473 NPC476118
Intermediate Similarity 0.7463 NPC478074
Intermediate Similarity 0.7463 NPC277350
Intermediate Similarity 0.7452 NPC473179
Intermediate Similarity 0.7447 NPC270009
Intermediate Similarity 0.7436 NPC307963
Intermediate Similarity 0.7435 NPC94943
Intermediate Similarity 0.7421 NPC48938
Intermediate Similarity 0.7418 NPC16667
Intermediate Similarity 0.7409 NPC128751
Intermediate Similarity 0.7409 NPC246700
Intermediate Similarity 0.7402 NPC167860
Intermediate Similarity 0.7402 NPC123976
Intermediate Similarity 0.7402 NPC5145
Intermediate Similarity 0.7387 NPC19872
Intermediate Similarity 0.7385 NPC99666
Intermediate Similarity 0.7382 NPC165201
Intermediate Similarity 0.738 NPC472586
Intermediate Similarity 0.7371 NPC106833
Intermediate Similarity 0.7371 NPC469497
Intermediate Similarity 0.7363 NPC476138
Intermediate Similarity 0.7363 NPC255229
Intermediate Similarity 0.7363 NPC81229
Intermediate Similarity 0.7363 NPC245816
Intermediate Similarity 0.736 NPC251090
Intermediate Similarity 0.7356 NPC312645
Intermediate Similarity 0.7354 NPC72980
Intermediate Similarity 0.7351 NPC63751
Intermediate Similarity 0.735 NPC232727
Intermediate Similarity 0.7346 NPC280272
Intermediate Similarity 0.734 NPC193777
Intermediate Similarity 0.733 NPC212535
Intermediate Similarity 0.733 NPC118940
Intermediate Similarity 0.733 NPC472109
Intermediate Similarity 0.733 NPC472110
Intermediate Similarity 0.733 NPC475778
Intermediate Similarity 0.733 NPC48353
Intermediate Similarity 0.7327 NPC39370
Intermediate Similarity 0.7327 NPC132539
Intermediate Similarity 0.7327 NPC475070
Intermediate Similarity 0.7326 NPC313791
Intermediate Similarity 0.7326 NPC474409
Intermediate Similarity 0.7321 NPC96321
Intermediate Similarity 0.732 NPC196251
Intermediate Similarity 0.732 NPC102338
Intermediate Similarity 0.732 NPC46413
Intermediate Similarity 0.732 NPC63199
Intermediate Similarity 0.732 NPC111602
Intermediate Similarity 0.7317 NPC234999
Intermediate Similarity 0.7316 NPC469896
Intermediate Similarity 0.7316 NPC198339
Intermediate Similarity 0.7315 NPC473186
Intermediate Similarity 0.7313 NPC162730
Intermediate Similarity 0.731 NPC195314
Intermediate Similarity 0.7308 NPC230869
Intermediate Similarity 0.7308 NPC472027
Intermediate Similarity 0.7306 NPC171171
Intermediate Similarity 0.7302 NPC151939
Intermediate Similarity 0.7299 NPC477532
Intermediate Similarity 0.7296 NPC472113
Intermediate Similarity 0.7295 NPC473757
Intermediate Similarity 0.7292 NPC472294
Intermediate Similarity 0.7283 NPC102423
Intermediate Similarity 0.7283 NPC311276
Intermediate Similarity 0.7282 NPC472112
Intermediate Similarity 0.7282 NPC329858
Intermediate Similarity 0.7282 NPC469470
Intermediate Similarity 0.7282 NPC469501
Intermediate Similarity 0.7277 NPC98371
Intermediate Similarity 0.7277 NPC192270
Intermediate Similarity 0.7277 NPC313884
Intermediate Similarity 0.7273 NPC231342
Intermediate Similarity 0.7268 NPC131718
Intermediate Similarity 0.7268 NPC476116
Intermediate Similarity 0.7268 NPC119700
Intermediate Similarity 0.726 NPC477979
Intermediate Similarity 0.726 NPC473183
Intermediate Similarity 0.7259 NPC475190
Intermediate Similarity 0.7256 NPC314954
Intermediate Similarity 0.7254 NPC15102
Intermediate Similarity 0.725 NPC476175
Intermediate Similarity 0.7248 NPC473184
Intermediate Similarity 0.7246 NPC26679
Intermediate Similarity 0.7243 NPC470508
Intermediate Similarity 0.7238 NPC473041
Intermediate Similarity 0.7238 NPC207726
Intermediate Similarity 0.7238 NPC471458
Intermediate Similarity 0.7236 NPC232130
Intermediate Similarity 0.7236 NPC153042
Intermediate Similarity 0.7235 NPC469554
Intermediate Similarity 0.7234 NPC97525
Intermediate Similarity 0.7228 NPC193761
Intermediate Similarity 0.7228 NPC199277
Intermediate Similarity 0.7228 NPC474116
Intermediate Similarity 0.7228 NPC135887
Intermediate Similarity 0.7225 NPC300688
Intermediate Similarity 0.7225 NPC36405
Intermediate Similarity 0.722 NPC470931
Intermediate Similarity 0.7219 NPC280548
Intermediate Similarity 0.7213 NPC67056
Intermediate Similarity 0.7212 NPC89508
Intermediate Similarity 0.7212 NPC266931
Intermediate Similarity 0.7211 NPC293472
Intermediate Similarity 0.7206 NPC45190
Intermediate Similarity 0.7206 NPC472111
Intermediate Similarity 0.7204 NPC213530
Intermediate Similarity 0.7204 NPC49954
Intermediate Similarity 0.7204 NPC474561
Intermediate Similarity 0.7204 NPC193267
Intermediate Similarity 0.7202 NPC204717
Intermediate Similarity 0.7202 NPC180504
Intermediate Similarity 0.719 NPC314552
Intermediate Similarity 0.7188 NPC302191
Intermediate Similarity 0.7186 NPC13880
Intermediate Similarity 0.7186 NPC245916
Intermediate Similarity 0.7184 NPC209769
Intermediate Similarity 0.7177 NPC470549
Intermediate Similarity 0.7176 NPC252251
Intermediate Similarity 0.7175 NPC242556

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  378.21
ALogP  0.8428
MLogP  3.66
XLogP  5.964
HDA  3
HBD  1
Rotatable Bonds  5
TPSA  28.26
RO5 Violation  1