Drug Information

Drug ID:  NPD7217
Drug Name:  Piperaquine
Molecular Formula:  C29H32Cl2N6
Canonical SMILES:  Clc1ccc2c(c1)nccc2N1CCN(CC1)CCCN1CCN(CC1)c1ccnc2c1ccc(c2)Cl
Standard InCHI:  InChI=1S/C29H32Cl2N6/c30-22-2-4-24-26(20-22)32-8-6-28(24)36-16-12-34(13-17-36)10-1-11-35-14-18-37(19-15-35)29-7-9-33-27-21-23(31)3-5-25(27)29/h2-9,20-21H,1,10-19H2
Standard InCHIKey:  UCRHFBCYFMIWHC-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD7217

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 0.8457 NPC476464
Intermediate Similarity 0.7987 NPC315348
Intermediate Similarity 0.7987 NPC32002
Intermediate Similarity 0.7977 NPC297034
Intermediate Similarity 0.7811 NPC477591
Intermediate Similarity 0.7771 NPC40070
Intermediate Similarity 0.7759 NPC201634
Intermediate Similarity 0.775 NPC314102
Intermediate Similarity 0.775 NPC251722
Intermediate Similarity 0.7627 NPC280852
Intermediate Similarity 0.7532 NPC476131
Intermediate Similarity 0.753 NPC86288
Intermediate Similarity 0.7484 NPC69914
Intermediate Similarity 0.7484 NPC46358
Intermediate Similarity 0.7457 NPC229173
Intermediate Similarity 0.7401 NPC474897
Intermediate Similarity 0.7371 NPC317105
Intermediate Similarity 0.7368 NPC325903
Intermediate Similarity 0.7325 NPC476322
Intermediate Similarity 0.7308 NPC314919
Intermediate Similarity 0.7305 NPC20144
Intermediate Similarity 0.7303 NPC116961
Intermediate Similarity 0.7299 NPC474880
Intermediate Similarity 0.7299 NPC221786
Intermediate Similarity 0.7278 NPC471579
Intermediate Similarity 0.7273 NPC169433
Intermediate Similarity 0.7267 NPC138842
Intermediate Similarity 0.7235 NPC470111
Intermediate Similarity 0.7228 NPC83381
Intermediate Similarity 0.7209 NPC470233
Intermediate Similarity 0.7196 NPC314058
Intermediate Similarity 0.7196 NPC316359
Intermediate Similarity 0.7196 NPC315617
Intermediate Similarity 0.7196 NPC316018
Intermediate Similarity 0.7176 NPC63545
Intermediate Similarity 0.7143 NPC167635
Intermediate Similarity 0.7135 NPC179787
Intermediate Similarity 0.7135 NPC469811
Intermediate Similarity 0.7135 NPC201380
Intermediate Similarity 0.7108 NPC150259
Intermediate Similarity 0.7108 NPC471312
Intermediate Similarity 0.7102 NPC475990
Intermediate Similarity 0.7097 NPC467063
Intermediate Similarity 0.7093 NPC321911
Intermediate Similarity 0.7079 NPC478182
Intermediate Similarity 0.7076 NPC288838
Intermediate Similarity 0.7052 NPC53947
Intermediate Similarity 0.7051 NPC54102
Intermediate Similarity 0.7051 NPC162689
Intermediate Similarity 0.7029 NPC476219
Intermediate Similarity 0.7024 NPC88097
Intermediate Similarity 0.7022 NPC470203
Intermediate Similarity 0.7006 NPC293487
Intermediate Similarity 0.7 NPC231536
Intermediate Similarity 0.7 NPC56233
Remote Similarity 0.6995 NPC128244
Remote Similarity 0.6983 NPC478184
Remote Similarity 0.6982 NPC469761
Remote Similarity 0.6982 NPC469767
Remote Similarity 0.6982 NPC469784
Remote Similarity 0.6982 NPC469768
Remote Similarity 0.6982 NPC469779
Remote Similarity 0.6982 NPC469783
Remote Similarity 0.6982 NPC284635
Remote Similarity 0.6982 NPC469780
Remote Similarity 0.6966 NPC215584
Remote Similarity 0.6966 NPC470204
Remote Similarity 0.6966 NPC122141
Remote Similarity 0.6966 NPC44773
Remote Similarity 0.6949 NPC216643
Remote Similarity 0.6949 NPC193740
Remote Similarity 0.6943 NPC91958
Remote Similarity 0.6941 NPC469766
Remote Similarity 0.6927 NPC225018
Remote Similarity 0.6923 NPC34837
Remote Similarity 0.6923 NPC110126
Remote Similarity 0.6923 NPC73767
Remote Similarity 0.6919 NPC157583
Remote Similarity 0.691 NPC56765
Remote Similarity 0.6906 NPC478183
Remote Similarity 0.6905 NPC105127
Remote Similarity 0.6894 NPC122718
Remote Similarity 0.6879 NPC240136
Remote Similarity 0.6879 NPC297486
Remote Similarity 0.6879 NPC471402
Remote Similarity 0.6879 NPC81561
Remote Similarity 0.6875 NPC329825
Remote Similarity 0.6872 NPC81229
Remote Similarity 0.6872 NPC255229
Remote Similarity 0.6865 NPC150048
Remote Similarity 0.6865 NPC203754
Remote Similarity 0.6854 NPC236711
Remote Similarity 0.6852 NPC146373
Remote Similarity 0.6852 NPC245244
Remote Similarity 0.6852 NPC166424
Remote Similarity 0.6851 NPC2165
Remote Similarity 0.6851 NPC195507
Remote Similarity 0.6848 NPC282398
Remote Similarity 0.6845 NPC96102
Remote Similarity 0.6842 NPC476454
Remote Similarity 0.6835 NPC143603
Remote Similarity 0.6833 NPC478185
Remote Similarity 0.6828 NPC237188
Remote Similarity 0.6824 NPC316811
Remote Similarity 0.6816 NPC92796
Remote Similarity 0.6816 NPC135141
Remote Similarity 0.6815 NPC148140
Remote Similarity 0.6813 NPC48564
Remote Similarity 0.6813 NPC265605
Remote Similarity 0.6813 NPC182570
Remote Similarity 0.6807 NPC82295
Remote Similarity 0.6805 NPC84911
Remote Similarity 0.6798 NPC51054
Remote Similarity 0.6793 NPC82331
Remote Similarity 0.6786 NPC198988
Remote Similarity 0.6753 NPC216550
Remote Similarity 0.6746 NPC261195
Remote Similarity 0.6746 NPC29886
Remote Similarity 0.6743 NPC21605
Remote Similarity 0.6742 NPC476297
Remote Similarity 0.674 NPC194881
Remote Similarity 0.6739 NPC91895
Remote Similarity 0.6739 NPC32534
Remote Similarity 0.6728 NPC290094
Remote Similarity 0.6725 NPC104483
Remote Similarity 0.6722 NPC206819
Remote Similarity 0.6722 NPC318065
Remote Similarity 0.672 NPC469938
Remote Similarity 0.6707 NPC256893
Remote Similarity 0.6686 NPC279081
Remote Similarity 0.6686 NPC59084
Remote Similarity 0.6686 NPC143872
Remote Similarity 0.6686 NPC115611
Remote Similarity 0.6684 NPC474958
Remote Similarity 0.6684 NPC255909
Remote Similarity 0.6667 NPC286427
Remote Similarity 0.6667 NPC105818
Remote Similarity 0.6667 NPC265576
Remote Similarity 0.6667 NPC129721
Remote Similarity 0.6667 NPC477611
Remote Similarity 0.6667 NPC24678
Remote Similarity 0.6667 NPC274229
Remote Similarity 0.6647 NPC473868
Remote Similarity 0.6647 NPC63157
Remote Similarity 0.6647 NPC325252
Remote Similarity 0.6646 NPC215519
Remote Similarity 0.663 NPC41257
Remote Similarity 0.6629 NPC285731
Remote Similarity 0.6629 NPC469525
Remote Similarity 0.6629 NPC314372
Remote Similarity 0.6615 NPC15102
Remote Similarity 0.6615 NPC99939
Remote Similarity 0.6615 NPC308931
Remote Similarity 0.6612 NPC90723
Remote Similarity 0.6609 NPC190296
Remote Similarity 0.6607 NPC101165
Remote Similarity 0.6606 NPC202957
Remote Similarity 0.6606 NPC169625
Remote Similarity 0.6598 NPC103119
Remote Similarity 0.6592 NPC469765
Remote Similarity 0.6592 NPC469760
Remote Similarity 0.6592 NPC259644
Remote Similarity 0.6592 NPC73952
Remote Similarity 0.6592 NPC25008
Remote Similarity 0.6592 NPC469786
Remote Similarity 0.6592 NPC469763
Remote Similarity 0.659 NPC230002
Remote Similarity 0.659 NPC2949
Remote Similarity 0.6585 NPC27740
Remote Similarity 0.6579 NPC187827
Remote Similarity 0.6579 NPC472105
Remote Similarity 0.6566 NPC471313
Remote Similarity 0.6566 NPC471311
Remote Similarity 0.6561 NPC59269
Remote Similarity 0.6559 NPC97343
Remote Similarity 0.6556 NPC70922
Remote Similarity 0.6556 NPC211572
Remote Similarity 0.6556 NPC80597
Remote Similarity 0.6556 NPC212376
Remote Similarity 0.6556 NPC75540
Remote Similarity 0.6545 NPC307191
Remote Similarity 0.6538 NPC27802
Remote Similarity 0.6534 NPC204141
Remote Similarity 0.6534 NPC159856
Remote Similarity 0.6527 NPC89490
Remote Similarity 0.6526 NPC12649
Remote Similarity 0.6519 NPC469785
Remote Similarity 0.651 NPC472104
Remote Similarity 0.6505 NPC63751
Remote Similarity 0.65 NPC200214
Remote Similarity 0.6492 NPC24864
Remote Similarity 0.6489 NPC472123
Remote Similarity 0.6488 NPC329896
Remote Similarity 0.6488 NPC475090
Remote Similarity 0.6488 NPC475105
Remote Similarity 0.6488 NPC175916
Remote Similarity 0.6484 NPC469762
Remote Similarity 0.648 NPC33421
Remote Similarity 0.6477 NPC108011
Remote Similarity 0.6471 NPC473930

Drug Structure

External Identifiers

TTD   DAP001504
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID   122262
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  534.21
ALogP  1.3694
MLogP  3.77
XLogP  4.458
HDA  6
HBD  0
Rotatable Bonds  8
TPSA  38.74
RO5 Violation  0