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Compound Detail

CHEMBL55697

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CCc1nc(N)nc(N)c1-c1ccc(Cl)c(/N=N/N(C(C)(C)C)C(C)(C)C)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL55697
Phase Preclinical
Structure Type MOL
InChI Key LLFDIQYQIXGNLI-CYYJNZCTSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

404.0
MW (Da)
5.42
ALogP
6
HBA
2
HBD
105.8
PSA (Ų)
0.52
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H30ClN7
MW 403.96
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -0.79

Literature References

PubMed DOI Target Context # Activities
9191966 10.1021/jm970050n Dihydrofolate reductase 2

Data from ChEMBL 36 via Core Engine