Drug Information

Drug ID:  NPD3217
Drug Name:  revamilast
Molecular Formula:  C18H9Cl2F2N3O4
Canonical SMILES:  FC(Oc1ccc(c2c1oc1c2cncc1)C(=O)Nc1c(Cl)cn(=O)cc1Cl)F
Standard InCHI:  InChI=1S/C18H9Cl2F2N3O4/c19-10-6-25(27)7-11(20)15(10)24-17(26)8-1-2-13(29-18(21)22)16-14(8)9-5-23-4-3-12(9)28-16/h1-7,18H,(H,24,26)
Standard InCHIKey:  IXQHNBONEVULTL-UHFFFAOYSA-N
Max Developmental Stage:  Phase 2
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD3217

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 0.7252 NPC119134
Intermediate Similarity 0.7218 NPC270515
Intermediate Similarity 0.72 NPC146976
Intermediate Similarity 0.7198 NPC246381
Intermediate Similarity 0.7171 NPC24019
Intermediate Similarity 0.716 NPC236668
Intermediate Similarity 0.7143 NPC107123
Intermediate Similarity 0.7137 NPC189903
Intermediate Similarity 0.7137 NPC182907
Intermediate Similarity 0.7117 NPC328928
Intermediate Similarity 0.7099 NPC108342
Intermediate Similarity 0.7063 NPC134637
Intermediate Similarity 0.7061 NPC253675
Intermediate Similarity 0.7061 NPC90875
Intermediate Similarity 0.7043 NPC322482
Intermediate Similarity 0.703 NPC84164
Intermediate Similarity 0.703 NPC207283
Intermediate Similarity 0.7029 NPC132385
Intermediate Similarity 0.7023 NPC22481
Intermediate Similarity 0.7004 NPC210434
Remote Similarity 0.6992 NPC210296
Remote Similarity 0.6985 NPC233334
Remote Similarity 0.6982 NPC473833
Remote Similarity 0.6981 NPC166722
Remote Similarity 0.6978 NPC124313
Remote Similarity 0.6973 NPC278525
Remote Similarity 0.696 NPC475301
Remote Similarity 0.696 NPC326930
Remote Similarity 0.6912 NPC137353
Remote Similarity 0.6877 NPC15406
Remote Similarity 0.6873 NPC13603
Remote Similarity 0.6863 NPC475315
Remote Similarity 0.6863 NPC324619
Remote Similarity 0.685 NPC77878
Remote Similarity 0.685 NPC183537
Remote Similarity 0.6848 NPC258048
Remote Similarity 0.6844 NPC473639
Remote Similarity 0.6836 NPC85879
Remote Similarity 0.6836 NPC53255
Remote Similarity 0.6827 NPC475533
Remote Similarity 0.6818 NPC217176
Remote Similarity 0.6816 NPC470022
Remote Similarity 0.6815 NPC142385
Remote Similarity 0.6814 NPC116701
Remote Similarity 0.6789 NPC9482
Remote Similarity 0.6786 NPC152620
Remote Similarity 0.6774 NPC215837
Remote Similarity 0.6773 NPC36229
Remote Similarity 0.6773 NPC476581
Remote Similarity 0.6773 NPC16452
Remote Similarity 0.6772 NPC470020
Remote Similarity 0.6768 NPC74575
Remote Similarity 0.6754 NPC235685
Remote Similarity 0.6753 NPC188400
Remote Similarity 0.6746 NPC470164
Remote Similarity 0.6746 NPC323345
Remote Similarity 0.674 NPC1608
Remote Similarity 0.674 NPC161801
Remote Similarity 0.6738 NPC471979
Remote Similarity 0.6729 NPC49547
Remote Similarity 0.6729 NPC101350
Remote Similarity 0.6729 NPC471004
Remote Similarity 0.6728 NPC78609
Remote Similarity 0.6719 NPC96405
Remote Similarity 0.6719 NPC296482
Remote Similarity 0.6719 NPC171409
Remote Similarity 0.6719 NPC202768
Remote Similarity 0.6719 NPC53069
Remote Similarity 0.6716 NPC470017
Remote Similarity 0.6706 NPC290689
Remote Similarity 0.6691 NPC53534
Remote Similarity 0.6691 NPC472061
Remote Similarity 0.669 NPC471978
Remote Similarity 0.6679 NPC216612
Remote Similarity 0.6679 NPC471015
Remote Similarity 0.6667 NPC470018
Remote Similarity 0.6655 NPC303374
Remote Similarity 0.6654 NPC72905
Remote Similarity 0.6654 NPC122436
Remote Similarity 0.6654 NPC473822
Remote Similarity 0.6653 NPC31930
Remote Similarity 0.6643 NPC315634
Remote Similarity 0.6643 NPC100734
Remote Similarity 0.6643 NPC88923
Remote Similarity 0.6642 NPC172222
Remote Similarity 0.6642 NPC168922
Remote Similarity 0.6629 NPC201508
Remote Similarity 0.6619 NPC191489
Remote Similarity 0.6618 NPC148889
Remote Similarity 0.6606 NPC208522
Remote Similarity 0.6599 NPC195268
Remote Similarity 0.6599 NPC133140
Remote Similarity 0.6589 NPC112206
Remote Similarity 0.6589 NPC202605
Remote Similarity 0.6582 NPC178858
Remote Similarity 0.6581 NPC41501
Remote Similarity 0.6575 NPC314222
Remote Similarity 0.6575 NPC196449
Remote Similarity 0.6574 NPC4071
Remote Similarity 0.6574 NPC476582
Remote Similarity 0.6574 NPC476578
Remote Similarity 0.657 NPC10904
Remote Similarity 0.657 NPC203373
Remote Similarity 0.6568 NPC240384
Remote Similarity 0.6556 NPC34770
Remote Similarity 0.6545 NPC148896
Remote Similarity 0.6545 NPC471013
Remote Similarity 0.6545 NPC180668
Remote Similarity 0.6543 NPC196718
Remote Similarity 0.6536 NPC478045
Remote Similarity 0.6534 NPC91868
Remote Similarity 0.6534 NPC63971
Remote Similarity 0.6531 NPC477549
Remote Similarity 0.653 NPC91125
Remote Similarity 0.6525 NPC216369
Remote Similarity 0.6523 NPC135549
Remote Similarity 0.6523 NPC313189
Remote Similarity 0.6523 NPC193238
Remote Similarity 0.6519 NPC96584
Remote Similarity 0.6519 NPC329631
Remote Similarity 0.6519 NPC255800
Remote Similarity 0.6517 NPC478078
Remote Similarity 0.6513 NPC274982
Remote Similarity 0.6509 NPC75179
Remote Similarity 0.6508 NPC287437
Remote Similarity 0.6504 NPC26881
Remote Similarity 0.6502 NPC74360
Remote Similarity 0.6502 NPC298436
Remote Similarity 0.65 NPC162530
Remote Similarity 0.6494 NPC35208
Remote Similarity 0.6482 NPC234197
Remote Similarity 0.6482 NPC477019
Remote Similarity 0.6481 NPC102593
Remote Similarity 0.6477 NPC174049
Remote Similarity 0.6477 NPC276657
Remote Similarity 0.6477 NPC469439
Remote Similarity 0.6473 NPC166712
Remote Similarity 0.6468 NPC127085
Remote Similarity 0.6466 NPC284685
Remote Similarity 0.6454 NPC318068
Remote Similarity 0.6452 NPC165964
Remote Similarity 0.645 NPC207531
Remote Similarity 0.6444 NPC260434
Remote Similarity 0.6442 NPC477899
Remote Similarity 0.6442 NPC477900
Remote Similarity 0.6434 NPC475426
Remote Similarity 0.6434 NPC327769
Remote Similarity 0.6431 NPC471762
Remote Similarity 0.6431 NPC66777
Remote Similarity 0.6429 NPC235364
Remote Similarity 0.6421 NPC469748
Remote Similarity 0.6415 NPC323969
Remote Similarity 0.6415 NPC477901
Remote Similarity 0.6412 NPC235076
Remote Similarity 0.6408 NPC129897
Remote Similarity 0.6407 NPC469792
Remote Similarity 0.6403 NPC58209
Remote Similarity 0.6402 NPC319556
Remote Similarity 0.64 NPC253482
Remote Similarity 0.6396 NPC120513
Remote Similarity 0.6394 NPC157931
Remote Similarity 0.6394 NPC475601
Remote Similarity 0.639 NPC475648
Remote Similarity 0.639 NPC208364
Remote Similarity 0.639 NPC160100
Remote Similarity 0.6384 NPC96801
Remote Similarity 0.6384 NPC150698
Remote Similarity 0.6384 NPC477906
Remote Similarity 0.6381 NPC97746
Remote Similarity 0.6377 NPC99891
Remote Similarity 0.637 NPC302807
Remote Similarity 0.637 NPC67401
Remote Similarity 0.637 NPC56271
Remote Similarity 0.6367 NPC477911
Remote Similarity 0.6364 NPC313327
Remote Similarity 0.636 NPC207686
Remote Similarity 0.6357 NPC9729
Remote Similarity 0.6353 NPC54066
Remote Similarity 0.635 NPC264674
Remote Similarity 0.635 NPC16066
Remote Similarity 0.635 NPC237740
Remote Similarity 0.6346 NPC174672
Remote Similarity 0.6346 NPC174758
Remote Similarity 0.634 NPC23614
Remote Similarity 0.634 NPC100079
Remote Similarity 0.6336 NPC251160
Remote Similarity 0.6336 NPC219087
Remote Similarity 0.6335 NPC26543
Remote Similarity 0.6335 NPC51854
Remote Similarity 0.633 NPC477903
Remote Similarity 0.633 NPC60621
Remote Similarity 0.6329 NPC185197
Remote Similarity 0.6329 NPC89549
Remote Similarity 0.6322 NPC269367
Remote Similarity 0.632 NPC328154
Remote Similarity 0.632 NPC21638
Remote Similarity 0.6318 NPC268077
Remote Similarity 0.6318 NPC289086
Remote Similarity 0.6316 NPC46451
Remote Similarity 0.631 NPC311906

Drug Structure

External Identifiers

TTD   DIB010802
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  438.99
ALogP  1.4465
MLogP  2.23
XLogP  2.019
HDA  3
HBD  1
Rotatable Bonds  9
TPSA  89.82
RO5 Violation  0