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Compound Detail

CHEMBL283279

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Nc1ncc(Cc2cc(O)cc(O)c2)c(N)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL283279
Phase Preclinical
Structure Type MOL
InChI Key JQPSNSZMSXKIGP-UHFFFAOYSA-N
0
Targets
2
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

232.2
MW (Da)
0.64
ALogP
6
HBA
4
HBD
118.3
PSA (Ų)
0.60
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H12N4O2
MW 232.24
Aromatic Rings 2
Heavy Atoms 17
NP-Likeness 0.38

Activity Summary

IC50 1 meas.
Ki 1 meas.

Literature References

PubMed DOI Target Context # Activities
6809941 10.1021/jm00349a003 Dihydrofolate reductase 2
9379435 10.1021/jm970211n Dihydrofolate reductase 1
8941396 10.1021/jm960491r Dihydrofolate reductase 1
8941396 10.1021/jm960491r No relevant target 1
3276891 10.1021/jm00397a017 Dihydrofolate reductase 1
7069722 10.1021/jm00346a020 Dihydrofolate reductase 1
3290487 10.1021/jm00402a025 Dihydrofolate reductase 1

Data from ChEMBL 36 via Core Engine