Drug Information

Drug ID:  NPD4883
Drug Name:  tucidinostat
Molecular Formula:  C22H19FN4O2
Canonical SMILES:  Fc1ccc(c(c1)NC(=O)c1ccc(cc1)CN=C(C=Cc1cccnc1)O)N
Standard InCHI:  InChI=1S/C22H19FN4O2/c23-18-8-9-19(24)20(12-18)27-22(29)17-6-3-16(4-7-17)14-26-21(28)10-5-15-2-1-11-25-13-15/h1-13H,14,24H2,(H,26,28)(H,27,29)
Standard InCHIKey:  WXHHICFWKXDFOW-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  IUPHAR/BPS

  Structural Similarity Between NPASS Natural Products and NPD4883

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 0.75 NPC317701
Intermediate Similarity 0.7377 NPC470205
Intermediate Similarity 0.7371 NPC478185
Intermediate Similarity 0.7368 NPC70406
Intermediate Similarity 0.7363 NPC24864
Intermediate Similarity 0.734 NPC216550
Intermediate Similarity 0.7337 NPC477003
Intermediate Similarity 0.7337 NPC467063
Intermediate Similarity 0.733 NPC478182
Intermediate Similarity 0.733 NPC474916
Intermediate Similarity 0.7322 NPC191415
Intermediate Similarity 0.7302 NPC326422
Intermediate Similarity 0.7299 NPC213914
Intermediate Similarity 0.7297 NPC133003
Intermediate Similarity 0.7297 NPC99939
Intermediate Similarity 0.7297 NPC308931
Intermediate Similarity 0.7294 NPC105811
Intermediate Similarity 0.7287 NPC476460
Intermediate Similarity 0.7283 NPC102755
Intermediate Similarity 0.7283 NPC209362
Intermediate Similarity 0.7278 NPC467188
Intermediate Similarity 0.7268 NPC73994
Intermediate Similarity 0.7257 NPC293487
Intermediate Similarity 0.7253 NPC157583
Intermediate Similarity 0.7253 NPC284775
Intermediate Similarity 0.7249 NPC272458
Intermediate Similarity 0.7247 NPC56233
Intermediate Similarity 0.7238 NPC469529
Intermediate Similarity 0.7234 NPC324091
Intermediate Similarity 0.7232 NPC478184
Intermediate Similarity 0.7225 NPC251391
Intermediate Similarity 0.7213 NPC11126
Intermediate Similarity 0.7207 NPC70949
Intermediate Similarity 0.7189 NPC243058
Intermediate Similarity 0.7188 NPC167710
Intermediate Similarity 0.7178 NPC256893
Intermediate Similarity 0.7173 NPC202812
Intermediate Similarity 0.7169 NPC65408
Intermediate Similarity 0.7168 NPC472260
Intermediate Similarity 0.7166 NPC94752
Intermediate Similarity 0.7166 NPC141612
Intermediate Similarity 0.7166 NPC17273
Intermediate Similarity 0.7166 NPC135601
Intermediate Similarity 0.7158 NPC219848
Intermediate Similarity 0.7158 NPC237188
Intermediate Similarity 0.7151 NPC478183
Intermediate Similarity 0.7151 NPC203635
Intermediate Similarity 0.7151 NPC228835
Intermediate Similarity 0.7151 NPC21429
Intermediate Similarity 0.7151 NPC41717
Intermediate Similarity 0.715 NPC72956
Intermediate Similarity 0.7134 NPC330326
Intermediate Similarity 0.712 NPC256268
Intermediate Similarity 0.7114 NPC153980
Intermediate Similarity 0.7114 NPC6865
Intermediate Similarity 0.711 NPC313889
Intermediate Similarity 0.7094 NPC177996
Intermediate Similarity 0.7094 NPC147983
Intermediate Similarity 0.7074 NPC90415
Intermediate Similarity 0.7072 NPC32534
Intermediate Similarity 0.7066 NPC114310
Intermediate Similarity 0.7065 NPC83774
Intermediate Similarity 0.7062 NPC92796
Intermediate Similarity 0.7062 NPC135141
Intermediate Similarity 0.7062 NPC80681
Intermediate Similarity 0.7062 NPC131887
Intermediate Similarity 0.7059 NPC27041
Intermediate Similarity 0.7056 NPC114637
Intermediate Similarity 0.7052 NPC123906
Intermediate Similarity 0.7047 NPC128244
Intermediate Similarity 0.7041 NPC471944
Intermediate Similarity 0.7039 NPC265100
Intermediate Similarity 0.7037 NPC17059
Intermediate Similarity 0.703 NPC471194
Intermediate Similarity 0.703 NPC471193
Intermediate Similarity 0.7011 NPC471743
Intermediate Similarity 0.7011 NPC105818
Intermediate Similarity 0.7011 NPC24678
Intermediate Similarity 0.7011 NPC476419
Intermediate Similarity 0.701 NPC471192
Intermediate Similarity 0.7 NPC42372
Intermediate Similarity 0.7 NPC233380
Intermediate Similarity 0.7 NPC255909
Remote Similarity 0.6989 NPC477042
Remote Similarity 0.6989 NPC61011
Remote Similarity 0.6989 NPC229055
Remote Similarity 0.6984 NPC62749
Remote Similarity 0.6979 NPC47190
Remote Similarity 0.6978 NPC471943
Remote Similarity 0.6977 NPC159856
Remote Similarity 0.6974 NPC34837
Remote Similarity 0.6971 NPC470233
Remote Similarity 0.6968 NPC207851
Remote Similarity 0.6954 NPC300183
Remote Similarity 0.6949 NPC74357
Remote Similarity 0.6947 NPC278434
Remote Similarity 0.6943 NPC304203
Remote Similarity 0.6935 NPC248462
Remote Similarity 0.6932 NPC325903
Remote Similarity 0.6919 NPC151635
Remote Similarity 0.6919 NPC57398
Remote Similarity 0.6911 NPC103119
Remote Similarity 0.6909 NPC282398
Remote Similarity 0.6902 NPC161861
Remote Similarity 0.6902 NPC252572
Remote Similarity 0.69 NPC472064
Remote Similarity 0.6898 NPC471997
Remote Similarity 0.689 NPC471589
Remote Similarity 0.6889 NPC242116
Remote Similarity 0.6885 NPC91895
Remote Similarity 0.6879 NPC167400
Remote Similarity 0.6878 NPC46895
Remote Similarity 0.6875 NPC83111
Remote Similarity 0.6872 NPC79356
Remote Similarity 0.6872 NPC102592
Remote Similarity 0.6865 NPC293216
Remote Similarity 0.6865 NPC469938
Remote Similarity 0.6864 NPC314102
Remote Similarity 0.6864 NPC251722
Remote Similarity 0.6857 NPC229893
Remote Similarity 0.6853 NPC237414
Remote Similarity 0.6853 NPC477004
Remote Similarity 0.6845 NPC213468
Remote Similarity 0.6845 NPC322064
Remote Similarity 0.6845 NPC12649
Remote Similarity 0.684 NPC476491
Remote Similarity 0.6839 NPC473763
Remote Similarity 0.6839 NPC63545
Remote Similarity 0.6839 NPC117244
Remote Similarity 0.6837 NPC78767
Remote Similarity 0.6837 NPC74153
Remote Similarity 0.6837 NPC227582
Remote Similarity 0.6837 NPC473814
Remote Similarity 0.6834 NPC328318
Remote Similarity 0.6834 NPC328596
Remote Similarity 0.6834 NPC472069
Remote Similarity 0.6834 NPC472063
Remote Similarity 0.6834 NPC472062
Remote Similarity 0.6826 NPC322488
Remote Similarity 0.6823 NPC321708
Remote Similarity 0.6821 NPC294693
Remote Similarity 0.6821 NPC93390
Remote Similarity 0.6812 NPC469727
Remote Similarity 0.681 NPC245244
Remote Similarity 0.681 NPC146373
Remote Similarity 0.681 NPC166424
Remote Similarity 0.6809 NPC88110
Remote Similarity 0.68 NPC179787
Remote Similarity 0.68 NPC469811
Remote Similarity 0.68 NPC201380
Remote Similarity 0.6788 NPC89490
Remote Similarity 0.6788 NPC313823
Remote Similarity 0.6782 NPC470440
Remote Similarity 0.6782 NPC314372
Remote Similarity 0.6778 NPC474492
Remote Similarity 0.6774 NPC139763
Remote Similarity 0.6769 NPC473821
Remote Similarity 0.6768 NPC153123
Remote Similarity 0.6768 NPC201266
Remote Similarity 0.6768 NPC268744
Remote Similarity 0.6768 NPC220797
Remote Similarity 0.6768 NPC474318
Remote Similarity 0.6768 NPC284338
Remote Similarity 0.6768 NPC475914
Remote Similarity 0.6766 NPC472259
Remote Similarity 0.6766 NPC471322
Remote Similarity 0.6766 NPC327592
Remote Similarity 0.6763 NPC190296
Remote Similarity 0.6761 NPC288445
Remote Similarity 0.6761 NPC321911
Remote Similarity 0.6758 NPC21174
Remote Similarity 0.6758 NPC271797
Remote Similarity 0.6751 NPC106824
Remote Similarity 0.6749 NPC266249
Remote Similarity 0.6748 NPC27740
Remote Similarity 0.6747 NPC329896
Remote Similarity 0.6747 NPC475090
Remote Similarity 0.6747 NPC475105
Remote Similarity 0.6743 NPC302159
Remote Similarity 0.6739 NPC63751
Remote Similarity 0.6739 NPC78020
Remote Similarity 0.6736 NPC213629
Remote Similarity 0.6735 NPC157828
Remote Similarity 0.6735 NPC195239
Remote Similarity 0.6734 NPC13456
Remote Similarity 0.6734 NPC77241
Remote Similarity 0.6734 NPC252338
Remote Similarity 0.6734 NPC166209
Remote Similarity 0.6734 NPC269203
Remote Similarity 0.6733 NPC317373
Remote Similarity 0.6727 NPC471313
Remote Similarity 0.6727 NPC471311
Remote Similarity 0.6723 NPC473878
Remote Similarity 0.6723 NPC471655
Remote Similarity 0.6722 NPC299594
Remote Similarity 0.672 NPC16659
Remote Similarity 0.6716 NPC98715
Remote Similarity 0.6705 NPC100726
Remote Similarity 0.6705 NPC470111
Remote Similarity 0.6704 NPC263455

Drug Structure

External Identifiers

TTD   DNCL002086
DrugBank  
ChEMBL  
IUPHAR/BPS   8305
PharmaGKB  
KEGG Drug  
PubChem CID   53394037
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  390.15
ALogP  -0.8381
MLogP  3.11
XLogP  4.013
HDA  6
HBD  3
Rotatable Bonds  10
TPSA  100.6
RO5 Violation  0