Drug Information

Drug ID:  NPD3390
Drug Name:  Bindarit
Molecular Formula:  C19H20N2O3
Canonical SMILES:  OC(=O)C(OCc1nn(c2c1cccc2)Cc1ccccc1)(C)C
Standard InCHI:  InChI=1S/C19H20N2O3/c1-19(2,18(22)23)24-13-16-15-10-6-7-11-17(15)21(20-16)12-14-8-4-3-5-9-14/h3-11H,12-13H2,1-2H3,(H,22,23)
Standard InCHIKey:  MTHORRSSURHQPZ-UHFFFAOYSA-N
Max Developmental Stage:  Phase 2
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD3390

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 0.7326 NPC211997
Intermediate Similarity 0.7273 NPC134586
Intermediate Similarity 0.7268 NPC129909
Intermediate Similarity 0.7208 NPC472193
Intermediate Similarity 0.7186 NPC192674
Intermediate Similarity 0.7151 NPC477888
Intermediate Similarity 0.715 NPC316181
Intermediate Similarity 0.715 NPC311858
Intermediate Similarity 0.715 NPC151781
Intermediate Similarity 0.715 NPC74562
Intermediate Similarity 0.7083 NPC469358
Intermediate Similarity 0.7077 NPC61435
Intermediate Similarity 0.7047 NPC470003
Remote Similarity 0.6948 NPC128115
Remote Similarity 0.6931 NPC32200
Remote Similarity 0.6931 NPC158129
Remote Similarity 0.69 NPC289299
Remote Similarity 0.69 NPC57994
Remote Similarity 0.6881 NPC168911
Remote Similarity 0.6881 NPC239954
Remote Similarity 0.6866 NPC194967
Remote Similarity 0.6859 NPC469938
Remote Similarity 0.6848 NPC477889
Remote Similarity 0.6837 NPC62510
Remote Similarity 0.6823 NPC84347
Remote Similarity 0.6821 NPC472444
Remote Similarity 0.6808 NPC312645
Remote Similarity 0.6798 NPC102008
Remote Similarity 0.6798 NPC212213
Remote Similarity 0.6788 NPC14325
Remote Similarity 0.6788 NPC28848
Remote Similarity 0.6784 NPC471593
Remote Similarity 0.6753 NPC472443
Remote Similarity 0.6753 NPC270009
Remote Similarity 0.6751 NPC282103
Remote Similarity 0.6748 NPC193761
Remote Similarity 0.6736 NPC56618
Remote Similarity 0.6734 NPC46413
Remote Similarity 0.6732 NPC214428
Remote Similarity 0.6717 NPC315555
Remote Similarity 0.6716 NPC149708
Remote Similarity 0.6703 NPC471458
Remote Similarity 0.6701 NPC284559
Remote Similarity 0.6701 NPC284678
Remote Similarity 0.6684 NPC71037
Remote Similarity 0.6683 NPC198673
Remote Similarity 0.6683 NPC241024
Remote Similarity 0.6667 NPC89508
Remote Similarity 0.6667 NPC317752
Remote Similarity 0.6667 NPC8104
Remote Similarity 0.6667 NPC476874
Remote Similarity 0.6667 NPC311276
Remote Similarity 0.6667 NPC477890
Remote Similarity 0.6667 NPC123019
Remote Similarity 0.6667 NPC141353
Remote Similarity 0.6652 NPC263937
Remote Similarity 0.6652 NPC94428
Remote Similarity 0.6636 NPC477979
Remote Similarity 0.6635 NPC475774
Remote Similarity 0.6634 NPC55493
Remote Similarity 0.6633 NPC194040
Remote Similarity 0.6632 NPC34508
Remote Similarity 0.662 NPC318299
Remote Similarity 0.6616 NPC320394
Remote Similarity 0.6614 NPC476231
Remote Similarity 0.6607 NPC180504
Remote Similarity 0.6607 NPC323752
Remote Similarity 0.6604 NPC123839
Remote Similarity 0.6601 NPC79293
Remote Similarity 0.6601 NPC473178
Remote Similarity 0.6601 NPC279401
Remote Similarity 0.6599 NPC314394
Remote Similarity 0.6598 NPC472586
Remote Similarity 0.6584 NPC138370
Remote Similarity 0.6583 NPC280290
Remote Similarity 0.6582 NPC133261
Remote Similarity 0.658 NPC470498
Remote Similarity 0.6579 NPC40779
Remote Similarity 0.6579 NPC102423
Remote Similarity 0.6571 NPC472287
Remote Similarity 0.6571 NPC317373
Remote Similarity 0.6571 NPC472286
Remote Similarity 0.6571 NPC277350
Remote Similarity 0.6567 NPC34271
Remote Similarity 0.6564 NPC203754
Remote Similarity 0.6564 NPC150048
Remote Similarity 0.6561 NPC322644
Remote Similarity 0.6561 NPC473320
Remote Similarity 0.6561 NPC131718
Remote Similarity 0.6557 NPC469589
Remote Similarity 0.6553 NPC470499
Remote Similarity 0.655 NPC90415
Remote Similarity 0.655 NPC235684
Remote Similarity 0.655 NPC160381
Remote Similarity 0.6548 NPC475685
Remote Similarity 0.6546 NPC313791
Remote Similarity 0.6543 NPC26850
Remote Similarity 0.6542 NPC118940
Remote Similarity 0.6542 NPC207020
Remote Similarity 0.6542 NPC472098
Remote Similarity 0.654 NPC474905
Remote Similarity 0.6533 NPC323198
Remote Similarity 0.6533 NPC472119
Remote Similarity 0.6533 NPC203635
Remote Similarity 0.6531 NPC293472
Remote Similarity 0.6531 NPC283152
Remote Similarity 0.6528 NPC62995
Remote Similarity 0.6528 NPC36405
Remote Similarity 0.6524 NPC327592
Remote Similarity 0.652 NPC230403
Remote Similarity 0.6517 NPC472323
Remote Similarity 0.6513 NPC312872
Remote Similarity 0.6512 NPC266931
Remote Similarity 0.6509 NPC266249
Remote Similarity 0.6505 NPC267928
Remote Similarity 0.65 NPC473189
Remote Similarity 0.65 NPC188387
Remote Similarity 0.65 NPC163421
Remote Similarity 0.6497 NPC213468
Remote Similarity 0.6493 NPC475841
Remote Similarity 0.6493 NPC474145
Remote Similarity 0.6493 NPC472111
Remote Similarity 0.6492 NPC476118
Remote Similarity 0.6482 NPC48938
Remote Similarity 0.6482 NPC243058
Remote Similarity 0.6482 NPC143533
Remote Similarity 0.6482 NPC472104
Remote Similarity 0.648 NPC24594
Remote Similarity 0.648 NPC472122
Remote Similarity 0.6473 NPC474916
Remote Similarity 0.6473 NPC67288
Remote Similarity 0.6471 NPC26872
Remote Similarity 0.6468 NPC314270
Remote Similarity 0.6468 NPC204385
Remote Similarity 0.6465 NPC15840
Remote Similarity 0.6465 NPC235900
Remote Similarity 0.6465 NPC244856
Remote Similarity 0.6462 NPC88008
Remote Similarity 0.6456 NPC245916
Remote Similarity 0.6456 NPC109922
Remote Similarity 0.6455 NPC469762
Remote Similarity 0.6455 NPC2395
Remote Similarity 0.6452 NPC74969
Remote Similarity 0.6452 NPC288349
Remote Similarity 0.6441 NPC125597
Remote Similarity 0.6441 NPC184437
Remote Similarity 0.6441 NPC235885
Remote Similarity 0.644 NPC177404
Remote Similarity 0.6439 NPC475190
Remote Similarity 0.6439 NPC307963
Remote Similarity 0.6436 NPC473177
Remote Similarity 0.6436 NPC470507
Remote Similarity 0.6435 NPC236424
Remote Similarity 0.6435 NPC306644
Remote Similarity 0.6432 NPC206201
Remote Similarity 0.6432 NPC470280
Remote Similarity 0.6432 NPC192270
Remote Similarity 0.6429 NPC57398
Remote Similarity 0.6425 NPC156704
Remote Similarity 0.6415 NPC313345
Remote Similarity 0.6415 NPC314855
Remote Similarity 0.6415 NPC313796
Remote Similarity 0.6415 NPC315638
Remote Similarity 0.6411 NPC470497
Remote Similarity 0.641 NPC126492
Remote Similarity 0.6409 NPC132642
Remote Similarity 0.6408 NPC276517
Remote Similarity 0.6406 NPC471284
Remote Similarity 0.6406 NPC478157
Remote Similarity 0.6406 NPC118511
Remote Similarity 0.6406 NPC274842
Remote Similarity 0.6404 NPC102338
Remote Similarity 0.6404 NPC175474
Remote Similarity 0.6404 NPC111602
Remote Similarity 0.6404 NPC321708
Remote Similarity 0.6404 NPC63199
Remote Similarity 0.6404 NPC272549
Remote Similarity 0.6404 NPC196251
Remote Similarity 0.6402 NPC469785
Remote Similarity 0.6402 NPC285469
Remote Similarity 0.6402 NPC477548
Remote Similarity 0.6402 NPC478158
Remote Similarity 0.6398 NPC37548
Remote Similarity 0.6398 NPC476115
Remote Similarity 0.6396 NPC267885
Remote Similarity 0.6392 NPC63751
Remote Similarity 0.6392 NPC44161
Remote Similarity 0.6392 NPC317430
Remote Similarity 0.639 NPC99666
Remote Similarity 0.6389 NPC475778
Remote Similarity 0.6387 NPC81229
Remote Similarity 0.6387 NPC255229
Remote Similarity 0.6385 NPC244741
Remote Similarity 0.6385 NPC53344
Remote Similarity 0.6385 NPC314297
Remote Similarity 0.6385 NPC315545
Remote Similarity 0.6383 NPC73952
Remote Similarity 0.6383 NPC469763
Remote Similarity 0.6383 NPC469760
Remote Similarity 0.6383 NPC259644

Drug Structure

External Identifiers

TTD   DIB010823
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  324.15
ALogP  0.2366
MLogP  3
XLogP  4.635
HDA  5
HBD  1
Rotatable Bonds  9
TPSA  64.35
RO5 Violation  0