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Compound Detail

CHEMBL278009

PTERINE
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Nc1nc2nccnc2c(=O)[nH]1

Basic Information

ChEMBL ID CHEMBL278009
Name PTERINE
Phase Preclinical
Structure Type MOL
InChI Key HNXQXTQTPAJEJL-UHFFFAOYSA-N

Known Names

2-Amino-4-pteridone 4-Oxopterin Pteridoxamine
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
3
Known Names

Molecular Properties

163.1
MW (Da)
-0.70
ALogP
5
HBA
2
HBD
97.5
PSA (Ų)
0.53
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C6H5N5O
MW 163.14
Aromatic Rings 2
Heavy Atoms 12
NP-Likeness -0.26

Activity Summary

Ki 1 meas. best 6.22

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Queuine tRNA-ribosyltransferase
CHEMBL2987
Ki 6.22 6.22 600.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
12646024 10.1021/jm0209937 Queuine tRNA-ribosyltransferase 1

Data from ChEMBL 36 via Core Engine