Drug Information

Drug ID:  NPD2717
Drug Name:  Lidorestat
Molecular Formula:  C18H11F3N2O2S
Canonical SMILES:  OC(=O)Cn1cc(c2c1cccc2)Cc1sc2c(n1)c(F)c(cc2F)F
Standard InCHI:  InChI=1S/C18H11F3N2O2S/c19-11-6-12(20)18-17(16(11)21)22-14(26-18)5-9-7-23(8-15(24)25)13-4-2-1-3-10(9)13/h1-4,6-7H,5,8H2,(H,24,25)
Standard InCHIKey:  KYHVTMFADJNSGS-UHFFFAOYSA-N
Max Developmental Stage:  Phase 2
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD2717

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 0.7701 NPC164228
Intermediate Similarity 0.7322 NPC92796
Intermediate Similarity 0.7322 NPC135141
Intermediate Similarity 0.7302 NPC469938
Intermediate Similarity 0.7293 NPC161108
Intermediate Similarity 0.7245 NPC321708
Intermediate Similarity 0.7238 NPC216713
Intermediate Similarity 0.7234 NPC91895
Intermediate Similarity 0.7207 NPC288838
Intermediate Similarity 0.7123 NPC173344
Intermediate Similarity 0.7089 NPC149014
Intermediate Similarity 0.7088 NPC53947
Intermediate Similarity 0.7072 NPC471957
Intermediate Similarity 0.7059 NPC478185
Intermediate Similarity 0.7047 NPC59269
Intermediate Similarity 0.7047 NPC248454
Intermediate Similarity 0.7039 NPC138562
Intermediate Similarity 0.7023 NPC77022
Remote Similarity 0.6991 NPC216221
Remote Similarity 0.698 NPC294693
Remote Similarity 0.6961 NPC285731
Remote Similarity 0.6952 NPC293487
Remote Similarity 0.6949 NPC150259
Remote Similarity 0.6944 NPC190296
Remote Similarity 0.6931 NPC478182
Remote Similarity 0.6923 NPC126709
Remote Similarity 0.6923 NPC283219
Remote Similarity 0.6923 NPC248041
Remote Similarity 0.6919 NPC147810
Remote Similarity 0.6919 NPC200214
Remote Similarity 0.6919 NPC49051
Remote Similarity 0.6912 NPC272483
Remote Similarity 0.6904 NPC163055
Remote Similarity 0.6898 NPC216643
Remote Similarity 0.6884 NPC94752
Remote Similarity 0.6872 NPC84827
Remote Similarity 0.6872 NPC145885
Remote Similarity 0.6872 NPC284775
Remote Similarity 0.6872 NPC14113
Remote Similarity 0.6868 NPC314372
Remote Similarity 0.6868 NPC159856
Remote Similarity 0.6865 NPC470823
Remote Similarity 0.6859 NPC478183
Remote Similarity 0.6856 NPC203468
Remote Similarity 0.6856 NPC149155
Remote Similarity 0.6856 NPC110500
Remote Similarity 0.6854 NPC31385
Remote Similarity 0.6854 NPC314102
Remote Similarity 0.6854 NPC251722
Remote Similarity 0.6854 NPC75726
Remote Similarity 0.6854 NPC110602
Remote Similarity 0.685 NPC17059
Remote Similarity 0.6842 NPC478184
Remote Similarity 0.6834 NPC15102
Remote Similarity 0.6823 NPC63751
Remote Similarity 0.6821 NPC267885
Remote Similarity 0.6816 NPC255909
Remote Similarity 0.6811 NPC24678
Remote Similarity 0.6811 NPC105818
Remote Similarity 0.6811 NPC40070
Remote Similarity 0.6809 NPC129721
Remote Similarity 0.6793 NPC470111
Remote Similarity 0.6788 NPC32534
Remote Similarity 0.6786 NPC64436
Remote Similarity 0.6782 NPC287895
Remote Similarity 0.6774 NPC470233
Remote Similarity 0.6771 NPC56233
Remote Similarity 0.6754 NPC317105
Remote Similarity 0.6751 NPC12649
Remote Similarity 0.6751 NPC11126
Remote Similarity 0.6751 NPC213468
Remote Similarity 0.6749 NPC476460
Remote Similarity 0.6746 NPC193761
Remote Similarity 0.6738 NPC469760
Remote Similarity 0.6738 NPC469763
Remote Similarity 0.6738 NPC259644
Remote Similarity 0.6738 NPC469786
Remote Similarity 0.6738 NPC325903
Remote Similarity 0.6738 NPC25008
Remote Similarity 0.6738 NPC73952
Remote Similarity 0.6738 NPC469765
Remote Similarity 0.6737 NPC279918
Remote Similarity 0.6736 NPC78020
Remote Similarity 0.6733 NPC213629
Remote Similarity 0.6729 NPC82370
Remote Similarity 0.6727 NPC253987
Remote Similarity 0.672 NPC148592
Remote Similarity 0.672 NPC469762
Remote Similarity 0.6717 NPC24864
Remote Similarity 0.6715 NPC474916
Remote Similarity 0.6704 NPC96102
Remote Similarity 0.6703 NPC477974
Remote Similarity 0.6702 NPC80597
Remote Similarity 0.6702 NPC211572
Remote Similarity 0.6702 NPC70922
Remote Similarity 0.6702 NPC75540
Remote Similarity 0.6702 NPC212376
Remote Similarity 0.6702 NPC282231
Remote Similarity 0.67 NPC228835
Remote Similarity 0.6685 NPC110126
Remote Similarity 0.6685 NPC73767
Remote Similarity 0.6684 NPC49217
Remote Similarity 0.6684 NPC49954
Remote Similarity 0.6684 NPC474561
Remote Similarity 0.6683 NPC293917
Remote Similarity 0.6667 NPC308931
Remote Similarity 0.6667 NPC280290
Remote Similarity 0.6667 NPC84911
Remote Similarity 0.6667 NPC51054
Remote Similarity 0.6667 NPC469785
Remote Similarity 0.6667 NPC151779
Remote Similarity 0.6667 NPC105127
Remote Similarity 0.6667 NPC57398
Remote Similarity 0.6667 NPC99939
Remote Similarity 0.6667 NPC19170
Remote Similarity 0.6649 NPC63545
Remote Similarity 0.6649 NPC281094
Remote Similarity 0.6648 NPC469761
Remote Similarity 0.6648 NPC469784
Remote Similarity 0.6648 NPC469783
Remote Similarity 0.6648 NPC469768
Remote Similarity 0.6648 NPC469779
Remote Similarity 0.6648 NPC469780
Remote Similarity 0.6648 NPC469767
Remote Similarity 0.6636 NPC478158
Remote Similarity 0.6635 NPC67288
Remote Similarity 0.6635 NPC143325
Remote Similarity 0.6634 NPC235684
Remote Similarity 0.6634 NPC62749
Remote Similarity 0.6633 NPC16659
Remote Similarity 0.662 NPC75634
Remote Similarity 0.662 NPC323927
Remote Similarity 0.6616 NPC240088
Remote Similarity 0.6616 NPC157583
Remote Similarity 0.6616 NPC68354
Remote Similarity 0.6616 NPC473380
Remote Similarity 0.6615 NPC194411
Remote Similarity 0.6613 NPC469811
Remote Similarity 0.6613 NPC201380
Remote Similarity 0.6613 NPC179787
Remote Similarity 0.6612 NPC469766
Remote Similarity 0.6611 NPC29886
Remote Similarity 0.6611 NPC261195
Remote Similarity 0.6609 NPC273714
Remote Similarity 0.6602 NPC326422
Remote Similarity 0.6602 NPC304203
Remote Similarity 0.6598 NPC54988
Remote Similarity 0.6598 NPC160105
Remote Similarity 0.6593 NPC104483
Remote Similarity 0.659 NPC46358
Remote Similarity 0.6587 NPC227582
Remote Similarity 0.6583 NPC265710
Remote Similarity 0.6583 NPC248462
Remote Similarity 0.658 NPC311276
Remote Similarity 0.658 NPC194640
Remote Similarity 0.6578 NPC297862
Remote Similarity 0.6578 NPC321911
Remote Similarity 0.6569 NPC103119
Remote Similarity 0.6566 NPC280852
Remote Similarity 0.6562 NPC44773
Remote Similarity 0.6562 NPC215584
Remote Similarity 0.6562 NPC153467
Remote Similarity 0.656 NPC478157
Remote Similarity 0.6557 NPC279081
Remote Similarity 0.6557 NPC475774
Remote Similarity 0.6555 NPC131887
Remote Similarity 0.6555 NPC171317
Remote Similarity 0.655 NPC314919
Remote Similarity 0.6548 NPC477611
Remote Similarity 0.6538 NPC179701
Remote Similarity 0.6538 NPC169433
Remote Similarity 0.6533 NPC111275
Remote Similarity 0.653 NPC470732
Remote Similarity 0.653 NPC470731
Remote Similarity 0.6526 NPC473376
Remote Similarity 0.6515 NPC275305
Remote Similarity 0.6515 NPC37423
Remote Similarity 0.6513 NPC114637
Remote Similarity 0.6512 NPC66699
Remote Similarity 0.651 NPC477591
Remote Similarity 0.6507 NPC262898
Remote Similarity 0.6505 NPC473763
Remote Similarity 0.6505 NPC117244
Remote Similarity 0.65 NPC55772
Remote Similarity 0.6497 NPC470498
Remote Similarity 0.6495 NPC40779
Remote Similarity 0.6495 NPC8104
Remote Similarity 0.6493 NPC252338
Remote Similarity 0.6488 NPC188104
Remote Similarity 0.6485 NPC143533
Remote Similarity 0.648 NPC256893
Remote Similarity 0.648 NPC82295
Remote Similarity 0.648 NPC201700
Remote Similarity 0.6477 NPC131718
Remote Similarity 0.6476 NPC473640
Remote Similarity 0.6471 NPC143872
Remote Similarity 0.6468 NPC249662
Remote Similarity 0.6468 NPC91179
Remote Similarity 0.6467 NPC238499
Remote Similarity 0.6467 NPC230002

Drug Structure

External Identifiers

TTD   DNC005485
DrugBank   DB07063
ChEMBL   CHEMBL363387
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID   157839
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  376.05
ALogP  1.6637
MLogP  2.56
XLogP  3.999
HDA  4
HBD  1
Rotatable Bonds  8
TPSA  83.36
RO5 Violation  0