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Compound Detail

CHEMBL1650263

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Cn1ncc2cc(N)ccc21

Basic Information

ChEMBL ID CHEMBL1650263
Phase Preclinical
Structure Type MOL
InChI Key PYOFNPHTKBSXOM-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

147.2
MW (Da)
1.16
ALogP
3
HBA
1
HBD
43.8
PSA (Ų)
0.57
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C8H9N3
MW 147.18
Aromatic Rings 2
Heavy Atoms 11
NP-Likeness -1.52

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
21126022 10.1021/jm1010572 Dihydrofolate reductase 1
21126022 10.1021/jm1010572 Bifunctional dihydrofolate reductase-thymidylate synthase 1
21126022 10.1021/jm1010572 Pteridine reductase 1 1

Data from ChEMBL 36 via Core Engine