Drug Information

Drug ID:  NPD242
Drug Name:  Fludarabine Phosphate
Molecular Formula:  C10H13FN5O7P
Canonical SMILES:  O[C@H]1[C@H](O)[C@H](O[C@H]1n1cnc2c1nc(F)nc2N)COP(=O)(O)O
Standard InCHI:  InChI=1S/C10H13FN5O7P/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(18)5(17)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,17-18H,1H2,(H2,12,14,15)(H2,19,20,21)/t3-,5-,6+,9-/m1/s1
Standard InCHIKey:  GIUYCYHIANZCFB-FJFJXFQQSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD242

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 0.9857 NPC85689
High Similarity 0.9857 NPC185991
High Similarity 0.9857 NPC211025
High Similarity 0.9787 NPC321814
High Similarity 0.9718 NPC302778
High Similarity 0.9718 NPC164952
High Similarity 0.9718 NPC212551
High Similarity 0.9718 NPC130586
High Similarity 0.965 NPC174802
High Similarity 0.9643 NPC121222
High Similarity 0.9583 NPC224076
High Similarity 0.9517 NPC316618
High Similarity 0.9517 NPC226245
High Similarity 0.9441 NPC161224
High Similarity 0.9429 NPC107374
High Similarity 0.9429 NPC21448
High Similarity 0.9429 NPC156461
High Similarity 0.9362 NPC189068
High Similarity 0.9362 NPC164665
High Similarity 0.9296 NPC269827
High Similarity 0.9296 NPC219313
High Similarity 0.9296 NPC309832
High Similarity 0.9286 NPC229974
High Similarity 0.92 NPC323091
High Similarity 0.9143 NPC161659
High Similarity 0.9143 NPC209525
High Similarity 0.9014 NPC314152
High Similarity 0.9007 NPC317821
High Similarity 0.898 NPC472816
High Similarity 0.8831 NPC261595
High Similarity 0.8774 NPC321458
High Similarity 0.8774 NPC324033
High Similarity 0.8742 NPC239737
High Similarity 0.8734 NPC326529
High Similarity 0.8725 NPC207633
High Similarity 0.8679 NPC189261
High Similarity 0.8679 NPC324198
High Similarity 0.8679 NPC319100
High Similarity 0.8671 NPC129756
High Similarity 0.8599 NPC326082
High Similarity 0.8591 NPC150853
High Similarity 0.8523 NPC136349
Intermediate Similarity 0.8497 NPC311197
Intermediate Similarity 0.8497 NPC313754
Intermediate Similarity 0.8497 NPC54320
Intermediate Similarity 0.8431 NPC52238
Intermediate Similarity 0.8355 NPC328479
Intermediate Similarity 0.8345 NPC30326
Intermediate Similarity 0.8345 NPC33996
Intermediate Similarity 0.8333 NPC320818
Intermediate Similarity 0.8255 NPC89147
Intermediate Similarity 0.8255 NPC274384
Intermediate Similarity 0.8188 NPC211820
Intermediate Similarity 0.8188 NPC251233
Intermediate Similarity 0.8176 NPC186619
Intermediate Similarity 0.8133 NPC177169
Intermediate Similarity 0.8089 NPC195140
Intermediate Similarity 0.8079 NPC64705
Intermediate Similarity 0.8079 NPC232408
Intermediate Similarity 0.8067 NPC318590
Intermediate Similarity 0.8025 NPC93365
Intermediate Similarity 0.8013 NPC317746
Intermediate Similarity 0.7987 NPC326694
Intermediate Similarity 0.795 NPC324484
Intermediate Similarity 0.7914 NPC290959
Intermediate Similarity 0.7901 NPC325906
Intermediate Similarity 0.7838 NPC61198
Intermediate Similarity 0.777 NPC262926
Intermediate Similarity 0.7658 NPC321052
Intermediate Similarity 0.7619 NPC313897
Intermediate Similarity 0.7607 NPC14590
Intermediate Similarity 0.7584 NPC319221
Intermediate Similarity 0.7517 NPC324009
Intermediate Similarity 0.7414 NPC24589
Intermediate Similarity 0.7386 NPC78941
Intermediate Similarity 0.7386 NPC282458
Intermediate Similarity 0.7308 NPC74306
Intermediate Similarity 0.7308 NPC315642
Intermediate Similarity 0.7191 NPC313514
Intermediate Similarity 0.716 NPC33382
Intermediate Similarity 0.7118 NPC168702
Intermediate Similarity 0.7118 NPC125659
Intermediate Similarity 0.7035 NPC222174
Remote Similarity 0.6923 NPC321393
Remote Similarity 0.6915 NPC276373
Remote Similarity 0.6878 NPC5802
Remote Similarity 0.6842 NPC157821
Remote Similarity 0.6824 NPC327579
Remote Similarity 0.6798 NPC107160
Remote Similarity 0.6699 NPC21461
Remote Similarity 0.6624 NPC57279
Remote Similarity 0.662 NPC476564
Remote Similarity 0.6603 NPC158055
Remote Similarity 0.6603 NPC246193
Remote Similarity 0.6603 NPC104011
Remote Similarity 0.6535 NPC250178
Remote Similarity 0.6525 NPC174114
Remote Similarity 0.6525 NPC87981
Remote Similarity 0.6494 NPC248007
Remote Similarity 0.6395 NPC312187
Remote Similarity 0.6395 NPC4837
Remote Similarity 0.6327 NPC103388
Remote Similarity 0.6299 NPC139776
Remote Similarity 0.6289 NPC287876
Remote Similarity 0.6226 NPC160666
Remote Similarity 0.6226 NPC14330
Remote Similarity 0.6164 NPC18335
Remote Similarity 0.6149 NPC472834
Remote Similarity 0.6013 NPC109322
Remote Similarity 0.5935 NPC68938
Remote Similarity 0.5882 NPC164845
Remote Similarity 0.5849 NPC5707
Remote Similarity 0.5848 NPC217656
Remote Similarity 0.5844 NPC313547
Remote Similarity 0.5814 NPC89139
Remote Similarity 0.5799 NPC296437
Remote Similarity 0.5776 NPC180493
Remote Similarity 0.5765 NPC470266
Remote Similarity 0.5732 NPC189314
Remote Similarity 0.5714 NPC244700
Remote Similarity 0.5705 NPC476561
Remote Similarity 0.5698 NPC476528
Remote Similarity 0.5698 NPC476433
Remote Similarity 0.567 NPC265111
Remote Similarity 0.5667 NPC472833
Remote Similarity 0.5665 NPC476522
Remote Similarity 0.5665 NPC474986
Remote Similarity 0.5665 NPC476013
Remote Similarity 0.5665 NPC476520
Remote Similarity 0.5657 NPC476408
Remote Similarity 0.5632 NPC476521
Remote Similarity 0.5625 NPC473585

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  365.05
ALogP  -2.112
MLogP  1.02
XLogP  -3.088
HDA  12
HBD  5
Rotatable Bonds  10
TPSA  195.88
RO5 Violation  1