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Compound Detail

CHEMBL1673

ACYCLOVIR TRIPHOSPHATE
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Nc1nc2c(ncn2COCCOP(=O)(O)OP(=O)(O)OP(=O)(O)O)c(=O)[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1673
Name ACYCLOVIR TRIPHOSPHATE
Phase Preclinical
Structure Type MOL
InChI Key AYWLSIKEOSXJLA-UHFFFAOYSA-N

Known Names

Acgtp Aciclovir-triphosphate Acyclogtp Acycloguanosine triphosphate Acyclovir triphosphate Acyclovir-5'-triphosphate
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
6
Known Names

Molecular Properties

465.1
MW (Da)
-0.98
ALogP
12
HBA
6
HBD
258.6
PSA (Ų)
0.18
QED
2
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Achiral
USAN Stem -vir

Extended Properties

Molecular Formula C8H14N5O12P3
MW 465.15
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness 0.50

Activity Summary

Kd 2 meas. best 5.22

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
DNA polymerase subunit gamma-1
CHEMBL2732
 Kd 5.22 5.22 6000.0 1
Unchecked
CHEMBL612545
 Kd 5.22 5.22 6000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
DNA polymerase subunit gamma-1 Kd = 6000.0 nM 5.22 Binding affinity to exonuclase deficient human recombinant DNA polymerase gamma ... 17573351
Unchecked Kd = 6000.0 nM 5.22 Binding affinity to exonuclase deficient HSV1 DNA polymerase UL42 D368A mutant 17573351

Literature References

PubMed DOI Target Context # Activities
17573351 10.1074/jbc.m703972200 DNA polymerase subunit gamma-1 3
17573351 10.1074/jbc.m703972200 Unchecked 3
2016705 10.1021/jm00108a010 GTPase HRas 2

Data from ChEMBL 36 via Core Engine