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Compound Detail

CHEMBL56366

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CCc1nc(N)nc(N)c1-c1ccc(Cl)c(/N=N/N2CCCC2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL56366
Phase Preclinical
Structure Type MOL
InChI Key BYTIHTOMZAIRFT-GHVJWSGMSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

345.8
MW (Da)
3.62
ALogP
6
HBA
2
HBD
105.8
PSA (Ų)
0.82
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H20ClN7
MW 345.84
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -0.99

Literature References

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

Data from ChEMBL 36 via Core Engine