Drug Information

Drug ID:  NPD9565
Drug Name:  navuridine
Molecular Formula:  C9H11N5O4
Canonical SMILES:  OC[C@H]1O[C@H](C[C@@H]1N=[N+]=[N-])n1ccc(nc1=O)O
Standard InCHI:  InChI=1S/C9H11N5O4/c10-13-12-5-3-8(18-6(5)4-15)14-2-1-7(16)11-9(14)17/h1-2,5-6,8,15H,3-4H2,(H,11,16,17)/t5-,6+,8+/m0/s1
Standard InCHIKey:  ZSNNBSPEFVIUDS-SHYZEUOFSA-N
Max Developmental Stage:  Discontinued
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD9565

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 0.8929 NPC106780
High Similarity 0.8837 NPC89051
High Similarity 0.8837 NPC43246
Intermediate Similarity 0.8242 NPC324390
Intermediate Similarity 0.8172 NPC36985
Intermediate Similarity 0.8172 NPC17892
Intermediate Similarity 0.8152 NPC322594
Intermediate Similarity 0.8152 NPC320249
Intermediate Similarity 0.8132 NPC315063
Intermediate Similarity 0.8085 NPC283698
Intermediate Similarity 0.8085 NPC73765
Intermediate Similarity 0.7978 NPC112842
Intermediate Similarity 0.7978 NPC71339
Intermediate Similarity 0.7912 NPC163352
Intermediate Similarity 0.7912 NPC210456
Intermediate Similarity 0.7553 NPC171116
Intermediate Similarity 0.7476 NPC329277
Intermediate Similarity 0.7396 NPC327344
Intermediate Similarity 0.7386 NPC329077
Intermediate Similarity 0.7347 NPC317639
Intermediate Similarity 0.7245 NPC324516
Intermediate Similarity 0.7245 NPC318166
Intermediate Similarity 0.7204 NPC229249
Intermediate Similarity 0.717 NPC155087
Intermediate Similarity 0.717 NPC149843
Intermediate Similarity 0.7158 NPC190334
Intermediate Similarity 0.7158 NPC62927
Intermediate Similarity 0.7111 NPC325902
Remote Similarity 0.6989 NPC319753
Remote Similarity 0.6667 NPC280946
Remote Similarity 0.6667 NPC6166
Remote Similarity 0.6667 NPC226769
Remote Similarity 0.6639 NPC315058
Remote Similarity 0.6602 NPC90240
Remote Similarity 0.6602 NPC120887
Remote Similarity 0.6598 NPC325723
Remote Similarity 0.6571 NPC328914
Remote Similarity 0.6569 NPC329384
Remote Similarity 0.6538 NPC328779
Remote Similarity 0.6475 NPC313962
Remote Similarity 0.64 NPC328806
Remote Similarity 0.6333 NPC325750
Remote Similarity 0.6304 NPC315806
Remote Similarity 0.6281 NPC284651
Remote Similarity 0.6176 NPC109188
Remote Similarity 0.6034 NPC478024
Remote Similarity 0.5902 NPC245534
Remote Similarity 0.5882 NPC313813
Remote Similarity 0.5833 NPC470782
Remote Similarity 0.5789 NPC126186
Remote Similarity 0.5729 NPC192521
Remote Similarity 0.5648 NPC216278
Remote Similarity 0.5644 NPC242077

Drug Structure

External Identifiers

TTD   DIB003119
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  253.08
ALogP  -4.4421
MLogP  1.46
XLogP  -0.707
HDA  8
HBD  2
Rotatable Bonds  5
TPSA  94.72
RO5 Violation  0