Drug Information

Drug ID:  NPD6476
Drug Name:  
Molecular Formula:  C26H24N2O
Canonical SMILES:  CC[C@@H](c1ccccc1)N=C(c1c(C)c(nc2c1cccc2)c1ccccc1)O
Standard InCHI:  InChI=1S/C26H24N2O/c1-3-22(19-12-6-4-7-13-19)28-26(29)24-18(2)25(20-14-8-5-9-15-20)27-23-17-11-10-16-21(23)24/h4-17,22H,3H2,1-2H3,(H,28,29)/t22-/m0/s1
Standard InCHIKey:  MQNYRKWJSMQECI-QFIPXVFZSA-N
Max Developmental Stage:  Clinical (unspecified phase)
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD6476

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 0.8395 NPC150048
Intermediate Similarity 0.8395 NPC203754
Intermediate Similarity 0.8301 NPC288445
Intermediate Similarity 0.8146 NPC60553
Intermediate Similarity 0.8098 NPC158129
Intermediate Similarity 0.8038 NPC141353
Intermediate Similarity 0.7975 NPC44161
Intermediate Similarity 0.7888 NPC131718
Intermediate Similarity 0.7882 NPC472294
Intermediate Similarity 0.7877 NPC278451
Intermediate Similarity 0.7875 NPC26850
Intermediate Similarity 0.7872 NPC54102
Intermediate Similarity 0.7872 NPC162689
Intermediate Similarity 0.7866 NPC317430
Intermediate Similarity 0.7844 NPC56618
Intermediate Similarity 0.7844 NPC134586
Intermediate Similarity 0.7834 NPC37548
Intermediate Similarity 0.7831 NPC34508
Intermediate Similarity 0.7812 NPC285469
Intermediate Similarity 0.7801 NPC81561
Intermediate Similarity 0.7798 NPC326575
Intermediate Similarity 0.7798 NPC211997
Intermediate Similarity 0.7793 NPC122718
Intermediate Similarity 0.7791 NPC159319
Intermediate Similarity 0.7778 NPC255229
Intermediate Similarity 0.7778 NPC81229
Intermediate Similarity 0.7763 NPC251722
Intermediate Similarity 0.7763 NPC314102
Intermediate Similarity 0.7733 NPC476319
Intermediate Similarity 0.773 NPC47298
Intermediate Similarity 0.773 NPC315214
Intermediate Similarity 0.773 NPC148140
Intermediate Similarity 0.7725 NPC472123
Intermediate Similarity 0.7725 NPC471294
Intermediate Similarity 0.7722 NPC187951
Intermediate Similarity 0.7692 NPC293472
Intermediate Similarity 0.7688 NPC26872
Intermediate Similarity 0.7683 NPC476118
Intermediate Similarity 0.7683 NPC32028
Intermediate Similarity 0.7683 NPC102423
Intermediate Similarity 0.7654 NPC129721
Intermediate Similarity 0.7651 NPC63751
Intermediate Similarity 0.7647 NPC133261
Intermediate Similarity 0.7647 NPC232340
Intermediate Similarity 0.7647 NPC270009
Intermediate Similarity 0.7647 NPC472443
Intermediate Similarity 0.764 NPC207726
Intermediate Similarity 0.764 NPC38736
Intermediate Similarity 0.764 NPC470507
Intermediate Similarity 0.7633 NPC472122
Intermediate Similarity 0.7633 NPC24594
Intermediate Similarity 0.7622 NPC16667
Intermediate Similarity 0.7619 NPC313791
Intermediate Similarity 0.7619 NPC259545
Intermediate Similarity 0.7616 NPC48938
Intermediate Similarity 0.7616 NPC243058
Intermediate Similarity 0.7616 NPC19679
Intermediate Similarity 0.7596 NPC475070
Intermediate Similarity 0.759 NPC98187
Intermediate Similarity 0.7584 NPC195314
Intermediate Similarity 0.758 NPC242556
Intermediate Similarity 0.7578 NPC259644
Intermediate Similarity 0.7578 NPC25008
Intermediate Similarity 0.7578 NPC469763
Intermediate Similarity 0.7578 NPC469760
Intermediate Similarity 0.7578 NPC469786
Intermediate Similarity 0.7578 NPC73952
Intermediate Similarity 0.7578 NPC469765
Intermediate Similarity 0.7574 NPC329688
Intermediate Similarity 0.7574 NPC189812
Intermediate Similarity 0.7574 NPC312872
Intermediate Similarity 0.7571 NPC324149
Intermediate Similarity 0.7569 NPC249040
Intermediate Similarity 0.7561 NPC322644
Intermediate Similarity 0.7558 NPC192270
Intermediate Similarity 0.7558 NPC314394
Intermediate Similarity 0.7548 NPC104483
Intermediate Similarity 0.7545 NPC154293
Intermediate Similarity 0.7544 NPC72980
Intermediate Similarity 0.7544 NPC88363
Intermediate Similarity 0.7531 NPC211572
Intermediate Similarity 0.7531 NPC75540
Intermediate Similarity 0.7531 NPC80597
Intermediate Similarity 0.7531 NPC212376
Intermediate Similarity 0.7531 NPC70922
Intermediate Similarity 0.7529 NPC473189
Intermediate Similarity 0.7517 NPC215519
Intermediate Similarity 0.7516 NPC20144
Intermediate Similarity 0.7515 NPC471177
Intermediate Similarity 0.7515 NPC59779
Intermediate Similarity 0.7515 NPC474409
Intermediate Similarity 0.7515 NPC124542
Intermediate Similarity 0.7515 NPC177404
Intermediate Similarity 0.7515 NPC208060
Intermediate Similarity 0.7514 NPC472444
Intermediate Similarity 0.7514 NPC133306
Intermediate Similarity 0.75 NPC126481
Intermediate Similarity 0.75 NPC92796
Intermediate Similarity 0.75 NPC472105
Intermediate Similarity 0.75 NPC473764
Intermediate Similarity 0.75 NPC314940
Intermediate Similarity 0.75 NPC478032
Intermediate Similarity 0.75 NPC135141
Intermediate Similarity 0.75 NPC187827
Intermediate Similarity 0.75 NPC67056
Intermediate Similarity 0.7486 NPC90415
Intermediate Similarity 0.7485 NPC59269
Intermediate Similarity 0.7485 NPC49954
Intermediate Similarity 0.7485 NPC283152
Intermediate Similarity 0.7485 NPC474561
Intermediate Similarity 0.7472 NPC99666
Intermediate Similarity 0.7471 NPC203635
Intermediate Similarity 0.7471 NPC190007
Intermediate Similarity 0.747 NPC97367
Intermediate Similarity 0.7459 NPC102008
Intermediate Similarity 0.7457 NPC477891
Intermediate Similarity 0.7453 NPC24678
Intermediate Similarity 0.7453 NPC105818
Intermediate Similarity 0.7443 NPC473177
Intermediate Similarity 0.7434 NPC256893
Intermediate Similarity 0.7433 NPC476116
Intermediate Similarity 0.743 NPC473178
Intermediate Similarity 0.7429 NPC94943
Intermediate Similarity 0.7429 NPC15102
Intermediate Similarity 0.7427 NPC288943
Intermediate Similarity 0.7427 NPC84347
Intermediate Similarity 0.7427 NPC288785
Intermediate Similarity 0.7418 NPC32200
Intermediate Similarity 0.7414 NPC472108
Intermediate Similarity 0.7414 NPC139291
Intermediate Similarity 0.7414 NPC472109
Intermediate Similarity 0.7414 NPC472110
Intermediate Similarity 0.741 NPC282231
Intermediate Similarity 0.7405 NPC329708
Intermediate Similarity 0.7405 NPC118832
Intermediate Similarity 0.7405 NPC47059
Intermediate Similarity 0.7405 NPC165349
Intermediate Similarity 0.7405 NPC264166
Intermediate Similarity 0.7405 NPC274291
Intermediate Similarity 0.7403 NPC474188
Intermediate Similarity 0.7401 NPC128751
Intermediate Similarity 0.7401 NPC246700
Intermediate Similarity 0.7399 NPC15840
Intermediate Similarity 0.7396 NPC280548
Intermediate Similarity 0.7394 NPC84508
Intermediate Similarity 0.7391 NPC124005
Intermediate Similarity 0.7386 NPC184437
Intermediate Similarity 0.7386 NPC171171
Intermediate Similarity 0.7386 NPC473930
Intermediate Similarity 0.7384 NPC219848
Intermediate Similarity 0.7381 NPC160105
Intermediate Similarity 0.738 NPC477111
Intermediate Similarity 0.7378 NPC469785
Intermediate Similarity 0.7371 NPC204717
Intermediate Similarity 0.7368 NPC472586
Intermediate Similarity 0.7368 NPC303225
Intermediate Similarity 0.7365 NPC311276
Intermediate Similarity 0.7365 NPC194640
Intermediate Similarity 0.7363 NPC474916
Intermediate Similarity 0.736 NPC469497
Intermediate Similarity 0.736 NPC95783
Intermediate Similarity 0.736 NPC106833
Intermediate Similarity 0.7355 NPC325252
Intermediate Similarity 0.7353 NPC476686
Intermediate Similarity 0.7353 NPC476688
Intermediate Similarity 0.7353 NPC105758
Intermediate Similarity 0.7351 NPC223427
Intermediate Similarity 0.7349 NPC279918
Intermediate Similarity 0.7348 NPC205403
Intermediate Similarity 0.7342 NPC63157
Intermediate Similarity 0.7342 NPC473868
Intermediate Similarity 0.7341 NPC256268
Intermediate Similarity 0.7337 NPC201700
Intermediate Similarity 0.7337 NPC278874
Intermediate Similarity 0.7333 NPC329541
Intermediate Similarity 0.7333 NPC469762
Intermediate Similarity 0.733 NPC314002
Intermediate Similarity 0.7326 NPC121903
Intermediate Similarity 0.7325 NPC88097
Intermediate Similarity 0.7321 NPC470508
Intermediate Similarity 0.7321 NPC471178
Intermediate Similarity 0.732 NPC475450
Intermediate Similarity 0.732 NPC324611
Intermediate Similarity 0.7317 NPC471458
Intermediate Similarity 0.7314 NPC220765
Intermediate Similarity 0.7314 NPC212535
Intermediate Similarity 0.7312 NPC159856
Intermediate Similarity 0.7312 NPC314372
Intermediate Similarity 0.7303 NPC46413
Intermediate Similarity 0.7299 NPC198339
Intermediate Similarity 0.7296 NPC477890
Intermediate Similarity 0.729 NPC198988
Intermediate Similarity 0.7289 NPC230869
Intermediate Similarity 0.7288 NPC478077
Intermediate Similarity 0.7288 NPC314573
Intermediate Similarity 0.7285 NPC471313
Intermediate Similarity 0.7285 NPC471311
Intermediate Similarity 0.7283 NPC151939
Intermediate Similarity 0.7278 NPC280964
Intermediate Similarity 0.7278 NPC114335

Drug Structure

External Identifiers

TTD   DCL000221
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID   6604009
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  380.19
ALogP  0.1612
MLogP  3.99
XLogP  9.359
HDA  3
HBD  1
Rotatable Bonds  8
TPSA  45.48
RO5 Violation  1