Drug Information

Drug ID:  NPD1739
Drug Name:  Primaquine Phosphate
Molecular Formula:  C15H21N3O.2H3O4P
Canonical SMILES:  OP(=O)(O)O.OP(=O)(O)O.NCCCC(Nc1cc(OC)cc2c1nccc2)C
Standard InCHI:  InChI=1S/C15H21N3O.2H3O4P/c1-11(5-3-7-16)18-14-10-13(19-2)9-12-6-4-8-17-15(12)14;2*1-5(2,3)4/h4,6,8-11,18H,3,5,7,16H2,1-2H3;2*(H3,1,2,3,4)
Standard InCHIKey:  GJOHLWZHWQUKAU-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD1739

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 1.0 NPC315957
High Similarity 0.883 NPC176538
High Similarity 0.8684 NPC232727
High Similarity 0.8649 NPC76748
High Similarity 0.8602 NPC92111
High Similarity 0.8595 NPC296527
High Similarity 0.8534 NPC121772
High Similarity 0.8511 NPC307963
Intermediate Similarity 0.8333 NPC123976
Intermediate Similarity 0.8333 NPC167860
Intermediate Similarity 0.8325 NPC13880
Intermediate Similarity 0.8325 NPC251090
Intermediate Similarity 0.8291 NPC208284
Intermediate Similarity 0.8265 NPC285558
Intermediate Similarity 0.8247 NPC19872
Intermediate Similarity 0.8214 NPC245816
Intermediate Similarity 0.8214 NPC476138
Intermediate Similarity 0.8209 NPC162530
Intermediate Similarity 0.8159 NPC316981
Intermediate Similarity 0.8141 NPC82548
Intermediate Similarity 0.8128 NPC176127
Intermediate Similarity 0.8107 NPC310118
Intermediate Similarity 0.81 NPC185782
Intermediate Similarity 0.8098 NPC213530
Intermediate Similarity 0.8098 NPC193267
Intermediate Similarity 0.8069 NPC26679
Intermediate Similarity 0.8019 NPC60621
Intermediate Similarity 0.801 NPC17565
Intermediate Similarity 0.801 NPC174672
Intermediate Similarity 0.801 NPC174758
Intermediate Similarity 0.8 NPC267928
Intermediate Similarity 0.799 NPC475070
Intermediate Similarity 0.7989 NPC84478
Intermediate Similarity 0.797 NPC329793
Intermediate Similarity 0.796 NPC476465
Intermediate Similarity 0.7949 NPC194967
Intermediate Similarity 0.7935 NPC476518
Intermediate Similarity 0.7921 NPC26872
Intermediate Similarity 0.7915 NPC110151
Intermediate Similarity 0.7906 NPC171171
Intermediate Similarity 0.7902 NPC470549
Intermediate Similarity 0.7901 NPC285635
Intermediate Similarity 0.7895 NPC204717
Intermediate Similarity 0.7892 NPC121658
Intermediate Similarity 0.7892 NPC14651
Intermediate Similarity 0.7879 NPC329747
Intermediate Similarity 0.7864 NPC8022
Intermediate Similarity 0.7864 NPC470799
Intermediate Similarity 0.7864 NPC170114
Intermediate Similarity 0.7857 NPC122436
Intermediate Similarity 0.7857 NPC177404
Intermediate Similarity 0.7857 NPC65277
Intermediate Similarity 0.7854 NPC266931
Intermediate Similarity 0.7853 NPC314002
Intermediate Similarity 0.785 NPC223427
Intermediate Similarity 0.7849 NPC111624
Intermediate Similarity 0.7842 NPC220765
Intermediate Similarity 0.7819 NPC184964
Intermediate Similarity 0.7811 NPC264166
Intermediate Similarity 0.7811 NPC274291
Intermediate Similarity 0.7811 NPC329708
Intermediate Similarity 0.7811 NPC118832
Intermediate Similarity 0.7811 NPC47059
Intermediate Similarity 0.7811 NPC165349
Intermediate Similarity 0.7806 NPC131017
Intermediate Similarity 0.7795 NPC195268
Intermediate Similarity 0.7795 NPC133140
Intermediate Similarity 0.7794 NPC5145
Intermediate Similarity 0.7789 NPC161887
Intermediate Similarity 0.7778 NPC274982
Intermediate Similarity 0.7772 NPC46580
Intermediate Similarity 0.7772 NPC472111
Intermediate Similarity 0.7767 NPC469554
Intermediate Similarity 0.7767 NPC476287
Intermediate Similarity 0.7742 NPC295228
Intermediate Similarity 0.774 NPC473513
Intermediate Similarity 0.7739 NPC287437
Intermediate Similarity 0.7723 NPC36229
Intermediate Similarity 0.7723 NPC16452
Intermediate Similarity 0.7723 NPC476581
Intermediate Similarity 0.7716 NPC326634
Intermediate Similarity 0.7714 NPC472099
Intermediate Similarity 0.771 NPC314954
Intermediate Similarity 0.7707 NPC11464
Intermediate Similarity 0.7704 NPC99666
Intermediate Similarity 0.7703 NPC173080
Intermediate Similarity 0.77 NPC234197
Intermediate Similarity 0.77 NPC227908
Intermediate Similarity 0.7692 NPC26850
Intermediate Similarity 0.7685 NPC101543
Intermediate Similarity 0.7681 NPC478074
Intermediate Similarity 0.7681 NPC469592
Intermediate Similarity 0.7681 NPC471080
Intermediate Similarity 0.7665 NPC106937
Intermediate Similarity 0.765 NPC476578
Intermediate Similarity 0.765 NPC4071
Intermediate Similarity 0.765 NPC476582
Intermediate Similarity 0.7647 NPC193777
Intermediate Similarity 0.7639 NPC260434
Intermediate Similarity 0.7632 NPC96890
Intermediate Similarity 0.763 NPC86078
Intermediate Similarity 0.7622 NPC118511
Intermediate Similarity 0.7621 NPC471304
Intermediate Similarity 0.7617 NPC284678
Intermediate Similarity 0.761 NPC287208
Intermediate Similarity 0.761 NPC475910
Intermediate Similarity 0.7606 NPC258773
Intermediate Similarity 0.7604 NPC266551
Intermediate Similarity 0.7604 NPC219963
Intermediate Similarity 0.7591 NPC101350
Intermediate Similarity 0.7591 NPC30540
Intermediate Similarity 0.759 NPC66083
Intermediate Similarity 0.7586 NPC162484
Intermediate Similarity 0.7583 NPC292958
Intermediate Similarity 0.7576 NPC84853
Intermediate Similarity 0.7574 NPC31930
Intermediate Similarity 0.7573 NPC469589
Intermediate Similarity 0.7571 NPC476041
Intermediate Similarity 0.7571 NPC304926
Intermediate Similarity 0.7562 NPC476167
Intermediate Similarity 0.7548 NPC472098
Intermediate Similarity 0.7545 NPC235685
Intermediate Similarity 0.7545 NPC472061
Intermediate Similarity 0.7537 NPC135887
Intermediate Similarity 0.7537 NPC199277
Intermediate Similarity 0.7536 NPC469594
Intermediate Similarity 0.7525 NPC249040
Intermediate Similarity 0.7524 NPC152768
Intermediate Similarity 0.7524 NPC18348
Intermediate Similarity 0.7524 NPC148183
Intermediate Similarity 0.7512 NPC323345
Intermediate Similarity 0.7512 NPC192315
Intermediate Similarity 0.7512 NPC470164
Intermediate Similarity 0.75 NPC242209
Intermediate Similarity 0.75 NPC475774
Intermediate Similarity 0.7488 NPC305984
Intermediate Similarity 0.7488 NPC201697
Intermediate Similarity 0.7488 NPC470586
Intermediate Similarity 0.7487 NPC20249
Intermediate Similarity 0.7477 NPC280272
Intermediate Similarity 0.7476 NPC193238
Intermediate Similarity 0.7464 NPC53069
Intermediate Similarity 0.7464 NPC202768
Intermediate Similarity 0.7464 NPC112206
Intermediate Similarity 0.7464 NPC202605
Intermediate Similarity 0.7464 NPC296482
Intermediate Similarity 0.7463 NPC156704
Intermediate Similarity 0.7463 NPC77555
Intermediate Similarity 0.7463 NPC224928
Intermediate Similarity 0.7463 NPC474188
Intermediate Similarity 0.7462 NPC32771
Intermediate Similarity 0.7453 NPC96321
Intermediate Similarity 0.7451 NPC211813
Intermediate Similarity 0.7438 NPC477019
Intermediate Similarity 0.7437 NPC324149
Intermediate Similarity 0.7436 NPC62069
Intermediate Similarity 0.7435 NPC312872
Intermediate Similarity 0.7411 NPC74382
Intermediate Similarity 0.7411 NPC206251
Intermediate Similarity 0.7407 NPC1527
Intermediate Similarity 0.7398 NPC42591
Intermediate Similarity 0.7393 NPC235076
Intermediate Similarity 0.7391 NPC313189
Intermediate Similarity 0.7381 NPC48353
Intermediate Similarity 0.7381 NPC264176
Intermediate Similarity 0.7376 NPC243834
Intermediate Similarity 0.7376 NPC70956
Intermediate Similarity 0.7374 NPC224327
Intermediate Similarity 0.7371 NPC100079
Intermediate Similarity 0.7371 NPC23614
Intermediate Similarity 0.7371 NPC168486
Intermediate Similarity 0.7371 NPC222592
Intermediate Similarity 0.7368 NPC473764
Intermediate Similarity 0.7368 NPC188420
Intermediate Similarity 0.7368 NPC314940
Intermediate Similarity 0.7368 NPC470020
Intermediate Similarity 0.7366 NPC295898
Intermediate Similarity 0.7364 NPC49547
Intermediate Similarity 0.7358 NPC283152
Intermediate Similarity 0.7353 NPC315491
Intermediate Similarity 0.7353 NPC45459
Intermediate Similarity 0.7346 NPC271215
Intermediate Similarity 0.7346 NPC149471
Intermediate Similarity 0.7343 NPC476121
Intermediate Similarity 0.7343 NPC476124
Intermediate Similarity 0.734 NPC72211
Intermediate Similarity 0.7337 NPC134079
Intermediate Similarity 0.7333 NPC118776
Intermediate Similarity 0.733 NPC200836
Intermediate Similarity 0.733 NPC53144
Intermediate Similarity 0.7327 NPC245348
Intermediate Similarity 0.7327 NPC70259
Intermediate Similarity 0.7326 NPC25899
Intermediate Similarity 0.732 NPC72980
Intermediate Similarity 0.7306 NPC224764
Intermediate Similarity 0.7299 NPC96405
Intermediate Similarity 0.7299 NPC171409
Intermediate Similarity 0.7299 NPC251160
Intermediate Similarity 0.7294 NPC470018
Intermediate Similarity 0.729 NPC473041

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  259.17
ALogP  -1.7856
MLogP  2.67
XLogP  2.133
HDA  3
HBD  2
Rotatable Bonds  9
TPSA  60.17
RO5 Violation  0