Drug Information

Drug ID:  NPD255
Drug Name:  methyltyrosine
Molecular Formula:  C10H13NO3
Canonical SMILES:  Oc1ccc(cc1)CC(C(=O)O)(N)C
Standard InCHI:  InChI=1S/C10H13NO3/c1-10(11,9(13)14)6-7-2-4-8(12)5-3-7/h2-5,12H,6,11H2,1H3,(H,13,14)
Standard InCHIKey:  NHTGHBARYWONDQ-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  TTD; IUPHAR/BPS

  Structural Similarity Between NPASS Natural Products and NPD255

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   DAP000471
DrugBank  
ChEMBL  
IUPHAR/BPS   5094
PharmaGKB  
KEGG Drug  
PubChem CID   3125
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  195.09
ALogP  -0.9742
MLogP  2.12
XLogP  -1.467
HDA  3
HBD  3
Rotatable Bonds  7
TPSA  83.55
RO5 Violation  0