Drug Information

Drug ID:  NPD9689
Drug Name:  Clioquinol
Molecular Formula:  C9H5ClINO
Canonical SMILES:  Ic1cc(Cl)c2c(c1O)nccc2
Standard InCHI:  InChI=1S/C9H5ClINO/c10-6-4-7(11)9(13)8-5(6)2-1-3-12-8/h1-4,13H
Standard InCHIKey:  QCDFBFJGMNKBDO-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD9689

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
High Similarity 0.8889 NPC314940
High Similarity 0.8889 NPC473764
High Similarity 0.8514 NPC252590
Intermediate Similarity 0.7876 NPC192315
Intermediate Similarity 0.7835 NPC476167
Intermediate Similarity 0.7713 NPC156059
Intermediate Similarity 0.76 NPC477113
Intermediate Similarity 0.7553 NPC478032
Intermediate Similarity 0.754 NPC184964
Intermediate Similarity 0.7525 NPC477111
Intermediate Similarity 0.7432 NPC118511
Intermediate Similarity 0.7414 NPC60553
Intermediate Similarity 0.7405 NPC44161
Intermediate Similarity 0.7382 NPC220765
Intermediate Similarity 0.7344 NPC55038
Intermediate Similarity 0.7344 NPC204717
Intermediate Similarity 0.7316 NPC42979
Intermediate Similarity 0.7316 NPC149402
Intermediate Similarity 0.7306 NPC42591
Intermediate Similarity 0.7306 NPC314002
Intermediate Similarity 0.7302 NPC224764
Intermediate Similarity 0.7273 NPC477110
Intermediate Similarity 0.7268 NPC18348
Intermediate Similarity 0.7268 NPC171171
Intermediate Similarity 0.7247 NPC220523
Intermediate Similarity 0.7245 NPC144381
Intermediate Similarity 0.7241 NPC475774
Intermediate Similarity 0.7211 NPC150048
Intermediate Similarity 0.7211 NPC203754
Intermediate Similarity 0.72 NPC90229
Intermediate Similarity 0.7192 NPC470678
Intermediate Similarity 0.7189 NPC471177
Intermediate Similarity 0.7189 NPC59779
Intermediate Similarity 0.7189 NPC124542
Intermediate Similarity 0.7173 NPC96890
Intermediate Similarity 0.7172 NPC99666
Intermediate Similarity 0.7157 NPC245816
Intermediate Similarity 0.7157 NPC476138
Intermediate Similarity 0.7136 NPC230403
Intermediate Similarity 0.7136 NPC329541
Intermediate Similarity 0.7112 NPC471178
Intermediate Similarity 0.7109 NPC470799
Intermediate Similarity 0.7109 NPC8022
Intermediate Similarity 0.7104 NPC63562
Intermediate Similarity 0.7093 NPC174421
Intermediate Similarity 0.7085 NPC324149
Intermediate Similarity 0.7059 NPC97367
Intermediate Similarity 0.7056 NPC46580
Intermediate Similarity 0.7043 NPC25899
Intermediate Similarity 0.7039 NPC264166
Intermediate Similarity 0.7039 NPC274291
Intermediate Similarity 0.7039 NPC118832
Intermediate Similarity 0.7039 NPC165349
Intermediate Similarity 0.7039 NPC47059
Intermediate Similarity 0.7039 NPC329708
Intermediate Similarity 0.7039 NPC470500
Intermediate Similarity 0.7033 NPC5145
Intermediate Similarity 0.703 NPC77555
Intermediate Similarity 0.7027 NPC132680
Intermediate Similarity 0.7027 NPC269919
Intermediate Similarity 0.7026 NPC48938
Intermediate Similarity 0.7024 NPC211813
Intermediate Similarity 0.7015 NPC326634
Intermediate Similarity 0.7005 NPC48192
Remote Similarity 0.6985 NPC3715
Remote Similarity 0.698 NPC222018
Remote Similarity 0.6972 NPC103687
Remote Similarity 0.6972 NPC132631
Remote Similarity 0.6968 NPC473057
Remote Similarity 0.6963 NPC173080
Remote Similarity 0.6957 NPC475070
Remote Similarity 0.6952 NPC63338
Remote Similarity 0.6952 NPC322976
Remote Similarity 0.6952 NPC131718
Remote Similarity 0.6952 NPC324203
Remote Similarity 0.6948 NPC142901
Remote Similarity 0.6946 NPC267928
Remote Similarity 0.6946 NPC156704
Remote Similarity 0.6935 NPC230805
Remote Similarity 0.6927 NPC315491
Remote Similarity 0.6927 NPC45459
Remote Similarity 0.6919 NPC314573
Remote Similarity 0.6911 NPC164664
Remote Similarity 0.6893 NPC471312
Remote Similarity 0.6878 NPC211187
Remote Similarity 0.6878 NPC102423
Remote Similarity 0.6878 NPC263439
Remote Similarity 0.6872 NPC318935
Remote Similarity 0.6854 NPC476287
Remote Similarity 0.685 NPC32771
Remote Similarity 0.6847 NPC477112
Remote Similarity 0.6847 NPC476451
Remote Similarity 0.6845 NPC19872
Remote Similarity 0.6845 NPC213308
Remote Similarity 0.6842 NPC476124
Remote Similarity 0.6842 NPC476121
Remote Similarity 0.6827 NPC53144
Remote Similarity 0.6825 NPC177404
Remote Similarity 0.6825 NPC185782
Remote Similarity 0.6824 NPC46358
Remote Similarity 0.6814 NPC242209
Remote Similarity 0.6814 NPC251090
Remote Similarity 0.681 NPC193238
Remote Similarity 0.68 NPC256893
Remote Similarity 0.6798 NPC307963
Remote Similarity 0.6796 NPC470394
Remote Similarity 0.6796 NPC470403
Remote Similarity 0.6796 NPC470404
Remote Similarity 0.6792 NPC309845
Remote Similarity 0.6791 NPC476464
Remote Similarity 0.6774 NPC26872
Remote Similarity 0.6766 NPC296527
Remote Similarity 0.6748 NPC212213
Remote Similarity 0.6746 NPC200836
Remote Similarity 0.6736 NPC256828
Remote Similarity 0.6733 NPC76748
Remote Similarity 0.6729 NPC26679
Remote Similarity 0.6721 NPC470395
Remote Similarity 0.672 NPC153769
Remote Similarity 0.6719 NPC108469
Remote Similarity 0.6719 NPC41717
Remote Similarity 0.6717 NPC219963
Remote Similarity 0.6717 NPC161887
Remote Similarity 0.6717 NPC266551
Remote Similarity 0.6714 NPC472259
Remote Similarity 0.6713 NPC476161
Remote Similarity 0.6702 NPC141353
Remote Similarity 0.6701 NPC88363
Remote Similarity 0.6701 NPC158129
Remote Similarity 0.6701 NPC72980
Remote Similarity 0.67 NPC92111
Remote Similarity 0.6699 NPC224928
Remote Similarity 0.6698 NPC476157
Remote Similarity 0.6684 NPC322644
Remote Similarity 0.6684 NPC120798
Remote Similarity 0.6684 NPC288943
Remote Similarity 0.6683 NPC133306
Remote Similarity 0.6683 NPC234197
Remote Similarity 0.6683 NPC176538
Remote Similarity 0.6683 NPC472289
Remote Similarity 0.6683 NPC315957
Remote Similarity 0.6667 NPC26850
Remote Similarity 0.6667 NPC313791
Remote Similarity 0.6651 NPC88008
Remote Similarity 0.665 NPC284678
Remote Similarity 0.665 NPC207851
Remote Similarity 0.665 NPC283152
Remote Similarity 0.6649 NPC257142
Remote Similarity 0.6649 NPC79911
Remote Similarity 0.6648 NPC328029
Remote Similarity 0.6647 NPC151489
Remote Similarity 0.6636 NPC85273
Remote Similarity 0.6635 NPC128823
Remote Similarity 0.6634 NPC66083
Remote Similarity 0.663 NPC315348
Remote Similarity 0.663 NPC32002
Remote Similarity 0.6623 NPC177056
Remote Similarity 0.6622 NPC300114
Remote Similarity 0.6621 NPC292958
Remote Similarity 0.662 NPC162530
Remote Similarity 0.662 NPC287208
Remote Similarity 0.662 NPC171787
Remote Similarity 0.6615 NPC253810
Remote Similarity 0.6606 NPC476041
Remote Similarity 0.6606 NPC469727
Remote Similarity 0.6606 NPC304926
Remote Similarity 0.6602 NPC146724
Remote Similarity 0.6601 NPC242928
Remote Similarity 0.6597 NPC279918
Remote Similarity 0.6595 NPC161292
Remote Similarity 0.6588 NPC476098
Remote Similarity 0.6587 NPC239954
Remote Similarity 0.6585 NPC133140
Remote Similarity 0.6585 NPC195268
Remote Similarity 0.6582 NPC474409
Remote Similarity 0.658 NPC473312
Remote Similarity 0.6579 NPC129721
Remote Similarity 0.6577 NPC167908
Remote Similarity 0.6574 NPC202605
Remote Similarity 0.6574 NPC112206
Remote Similarity 0.6573 NPC283117
Remote Similarity 0.6562 NPC282231
Remote Similarity 0.6562 NPC224632
Remote Similarity 0.6561 NPC470502
Remote Similarity 0.656 NPC288349
Remote Similarity 0.6555 NPC287437
Remote Similarity 0.6553 NPC198673
Remote Similarity 0.6553 NPC226202
Remote Similarity 0.655 NPC474798
Remote Similarity 0.6548 NPC303225
Remote Similarity 0.6548 NPC312872
Remote Similarity 0.6545 NPC230869
Remote Similarity 0.6545 NPC477591
Remote Similarity 0.6544 NPC266931
Remote Similarity 0.6544 NPC477610
Remote Similarity 0.6543 NPC284348
Remote Similarity 0.6541 NPC159856
Remote Similarity 0.654 NPC66815
Remote Similarity 0.6535 NPC20249
Remote Similarity 0.6535 NPC295158

Drug Structure

External Identifiers

TTD   DNC011356
DrugBank   DB04815
ChEMBL   CHEMBL497
IUPHAR/BPS  
PharmaGKB   PA449039
KEGG Drug  
PubChem CID   2788
ChEBI   74460
CAS Number  130-26-7

Drug Properties

Molecular Weight  304.91
ALogP  1.7041
MLogP  2.01
XLogP  2.584
HDA  1
HBD  1
Rotatable Bonds  3
TPSA  33.12
RO5 Violation  0