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Compound Detail

CHEMBL460634

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CC(NP1(=O)CO[C@@H](Cn2ccc(N)nc2=O)CO1)C(=O)OCCc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL460634
Phase Preclinical
Structure Type MOL
InChI Key PVROTLPXYPJVNC-LSKKZXPTSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

436.4
MW (Da)
1.16
ALogP
9
HBA
2
HBD
134.8
PSA (Ų)
0.46
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H25N4O6P
MW 436.41
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -0.20

Activity Summary

IC50 1 meas. best 5.15

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Vaccinia virus
CHEMBL613493
 IC50 5.15 5.15 7100.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Vaccinia virus IC50 = 7100.0 nM 5.15 Antiviral activity against Vaccinia virus 19112024

Literature References

PubMed DOI Target Context # Activities
19112024 10.1016/j.bmc.2008.11.075 Vaccinia virus 1

Data from ChEMBL 36 via Core Engine