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Compound Detail

CHEMBL58138

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CCOc1cc(Cc2cnc(N)nc2N)cc2c1NC(C)(C)C=C2C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL58138
Phase Preclinical
Structure Type MOL
InChI Key DQPUBTQFXJVGQW-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

339.4
MW (Da)
3.24
ALogP
6
HBA
3
HBD
99.1
PSA (Ų)
0.79
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 C19H25N5O
MW 339.44
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness 0.06

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
2666668 10.1021/jm00128a042 Dihydrofolate reductase type 1 1
2666668 10.1021/jm00128a042 Dihydrofolate reductase 1

Data from ChEMBL 36 via Core Engine