BRINCIDOFOVIR

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Synonyms
Status
Molecule Category Free-form
UNII 6794O900AX
EPA CompTox DTXSID60196190

Structure

InChI Key WXJFKKQWPMNTIM-VWLOTQADSA-N
Smiles CCCCCCCCCCCCCCCCOCCCOP(=O)(O)CO[C@H](CO)Cn1ccc(N)nc1=O
InChI
InChI=1S/C27H52N3O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-35-20-16-21-37-38(33,34)24-36-25(23-31)22-30-18-17-26(28)29-27(30)32/h17-18,25,31H,2-16,19-24H2,1H3,(H,33,34)(H2,28,29,32)/t25-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C27H52N3O7P
Molecular Weight 561.7
AlogP 5.25
Hydrogen Bond Acceptor 9.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 26.0
Polar Surface Area 146.13
Molecular species ACID
Aromatic Rings 1.0
Heavy Atoms 38.0

Pharmacology

Mechanism of Action Action Reference
DNA polymerase inhibitor INHIBITOR FDA
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cowpox virus
60 600 - - -
Cowpox virus (Brighton Red)
200-600 - - - -
Ectromelia virus Moscow
125 - - - -
Guinea pig cytomegalovirus (strain 22122 / ATCC VR682) (GPCMV)
4 - - - -
Human herpesvirus 5
0.9 - - - -
Human herpesvirus 5 strain AD169
0.9 - - - -
Murid herpesvirus 1
0.9 - - - -
Vaccinia virus
80 - - - -
Vaccinia virus Copenhagen
80-800 - - - -
Vaccinia virus WR
130 - - - -

Related Entries

Cross References

Resources Reference
ChEMBL CHEMBL203321
DrugBank DB12151
FDA SRS 6794O900AX
PubChem 483477
SureChEMBL SCHEMBL139922
ZINC ZINC000014141521
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