Drug Information

Drug ID:  NPD6644
Drug Name:  AZD-3783
Molecular Formula:  C26H34N4O4
Canonical SMILES:  COc1cc2CCC(Oc2c(c1)N1CCN(CC1)C)C(=O)Nc1ccc(cc1)N1CCOCC1
Standard InCHI:  InChI=1S/C26H34N4O4/c1-28-9-11-30(12-10-28)23-18-22(32-2)17-19-3-8-24(34-25(19)23)26(31)27-20-4-6-21(7-5-20)29-13-15-33-16-14-29/h4-7,17-18,24H,3,8-16H2,1-2H3,(H,27,31)
Standard InCHIKey:  SKOWCFJEXPLGNE-UHFFFAOYSA-N
Max Developmental Stage:  Discontinued
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD6644

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   DIB015653
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  466.26
ALogP  -1.1428
MLogP  3.44
XLogP  2.151
HDA  6
HBD  1
Rotatable Bonds  8
TPSA  66.51
RO5 Violation  0