Drug Information

Drug ID:  NPD9029
Drug Name:  Migalastat
Molecular Formula:  C6H13NO4
Canonical SMILES:  OC[C@H]1NC[C@@H]([C@H]([C@H]1O)O)O
Standard InCHI:  InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4+,5+,6-/m1/s1
Standard InCHIKey:  LXBIFEVIBLOUGU-DPYQTVNSSA-N
Max Developmental Stage:  Phase 3
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD9029

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

Drug Structure

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External Identifiers

TTD   DCL000166
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID   176077
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  163.08
ALogP  -2.44
MLogP  1.57
XLogP  -0.929
HDA  5
HBD  5
Rotatable Bonds  5
TPSA  92.95
RO5 Violation  0