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Compound Detail

CHEMBL312407

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CCc1nc(N)nc(N)c1-c1ccc(N2CCNCC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL312407
Phase Preclinical
Structure Type MOL
InChI Key XGAUQOCGQYNEJJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

298.4
MW (Da)
1.28
ALogP
6
HBA
3
HBD
93.1
PSA (Ų)
0.79
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H22N6
MW 298.39
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.95

Literature References

PubMed DOI Target Context # Activities
2810335 10.1021/jm00131a009 Dihydrofolate reductase 1

Data from ChEMBL 36 via Core Engine