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Compound Detail

CHEMBL315409

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CCCCNc1ccc(-c2c(N)nc(N)nc2CC)cc1N
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL315409
Phase Preclinical
Structure Type MOL
InChI Key KMMQGMSHFNRJFK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

300.4
MW (Da)
2.66
ALogP
6
HBA
4
HBD
115.9
PSA (Ų)
0.48
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H24N6
MW 300.41
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.88

Literature References

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

Data from ChEMBL 36 via Core Engine